data_9GPY
# 
_entry.id   9GPY 
# 
_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   9GPY         pdb_00009gpy 10.2210/pdb9gpy/pdb 
WWPDB D_1292141198 ?            ?                   
# 
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 2025-03-12 ? 
3 'Structure model' 1 2 2025-03-19 ? 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
loop_
_pdbx_audit_revision_group.ordinal 
_pdbx_audit_revision_group.revision_ordinal 
_pdbx_audit_revision_group.data_content_type 
_pdbx_audit_revision_group.group 
1 2 'Structure model' 'Database references' 
2 3 'Structure model' 'Database references' 
# 
loop_
_pdbx_audit_revision_category.ordinal 
_pdbx_audit_revision_category.revision_ordinal 
_pdbx_audit_revision_category.data_content_type 
_pdbx_audit_revision_category.category 
1 2 'Structure model' citation        
2 2 'Structure model' citation_author 
3 3 'Structure model' citation        
4 3 'Structure model' citation_author 
# 
loop_
_pdbx_audit_revision_item.ordinal 
_pdbx_audit_revision_item.revision_ordinal 
_pdbx_audit_revision_item.data_content_type 
_pdbx_audit_revision_item.item 
1 2 'Structure model' '_citation.journal_volume'          
2 2 'Structure model' '_citation.page_first'              
3 2 'Structure model' '_citation.page_last'               
4 2 'Structure model' '_citation_author.name'             
5 3 'Structure model' '_citation.page_first'              
6 3 'Structure model' '_citation.page_last'               
7 3 'Structure model' '_citation_author.identifier_ORCID' 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9GPY 
_pdbx_database_status.recvd_initial_deposition_date   2024-09-09 
_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_contact_author.id                 2 
_pdbx_contact_author.email              felix.hausch@tu-darmstadt.de 
_pdbx_contact_author.name_first         Felix 
_pdbx_contact_author.name_last          Hausch 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-3710-8838 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Meyners, C.' 1 ? 
'Buffa, V.'   2 ? 
'Walz, C.'    3 ? 
'Hausch, F.'  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                e202418512 
_citation.page_last                 e202418512 
_citation.title                     
'Conformational Plasticity and Binding Affinity Enhancement Controlled by Linker Derivatization in Macrocycles.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1002/anie.202418512 
_citation.pdbx_database_id_PubMed   39749563 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Buffa, V.'        1  ?                   
primary 'Walz, C.'         2  ?                   
primary 'Meyners, C.'      3  ?                   
primary 'Zheng, M.'        4  ?                   
primary 'Oki Sugiarto, W.' 5  ?                   
primary 'Repity, M.'       6  ?                   
primary 'Achaq, H.'        7  ?                   
primary 'Brudy, C.'        8  ?                   
primary 'Spiske, M.'       9  ?                   
primary 'Cica, M.'         10 ?                   
primary 'Hausch, F.'       11 0000-0002-3710-8838 
# 
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 'Peptidyl-prolyl cis-trans isomerase FKBP5' 14004.026 3   5.2.1.8 'A19T, C103A, C107I' ? ? 
2 non-polymer syn 
;2-cyclohexyl-18,19-dimethoxy-13-methyl-11,17-dioxa-4-aza-1lambda5,18lambda5-diphospha-1,15-distannatetracyclo[13.4.0.04,9.016,20]nonadecane-3,10-quinone
;
568.704   3   ?       ?                    ? ? 
3 non-polymer syn 1,2-ETHANEDIOL 62.068    3   ?       ?                    ? ? 
4 water       nat water 18.015    295 ?       ?                    ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        
;PPIase FKBP5,51 kDa FK506-binding protein,FKBP-51,54 kDa progesterone receptor-associated immunophilin,Androgen-regulated protein 6,FF1 antigen,FK506-binding protein 5,FKBP-5,FKBP54,p54,HSP90-binding immunophilin,Rotamase
;
# 
_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       
;GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDI
GVATMKKGEIAHLLIKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE
;
_entity_poly.pdbx_seq_one_letter_code_can   
;GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDI
GVATMKKGEIAHLLIKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE
;
_entity_poly.pdbx_strand_id                 A,B,C 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 
;2-cyclohexyl-18,19-dimethoxy-13-methyl-11,17-dioxa-4-aza-1lambda5,18lambda5-diphospha-1,15-distannatetracyclo[13.4.0.04,9.016,20]nonadecane-3,10-quinone
;
A1INZ 
3 1,2-ETHANEDIOL EDO   
4 water HOH   
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   GLY n 
1 2   ALA n 
1 3   PRO n 
1 4   ALA n 
1 5   THR n 
1 6   VAL n 
1 7   THR n 
1 8   GLU n 
1 9   GLN n 
1 10  GLY n 
1 11  GLU n 
1 12  ASP n 
1 13  ILE n 
1 14  THR n 
1 15  SER n 
1 16  LYS n 
1 17  LYS n 
1 18  ASP n 
1 19  ARG n 
1 20  GLY n 
1 21  VAL n 
1 22  LEU n 
1 23  LYS n 
1 24  ILE n 
1 25  VAL n 
1 26  LYS n 
1 27  ARG n 
1 28  VAL n 
1 29  GLY n 
1 30  ASN n 
1 31  GLY n 
1 32  GLU n 
1 33  GLU n 
1 34  THR n 
1 35  PRO n 
1 36  MET n 
1 37  ILE n 
1 38  GLY n 
1 39  ASP n 
1 40  LYS n 
1 41  VAL n 
1 42  TYR n 
1 43  VAL n 
1 44  HIS n 
1 45  TYR n 
1 46  LYS n 
1 47  GLY n 
1 48  LYS n 
1 49  LEU n 
1 50  SER n 
1 51  ASN n 
1 52  GLY n 
1 53  LYS n 
1 54  LYS n 
1 55  PHE n 
1 56  ASP n 
1 57  SER n 
1 58  SER n 
1 59  HIS n 
1 60  ASP n 
1 61  ARG n 
1 62  ASN n 
1 63  GLU n 
1 64  PRO n 
1 65  PHE n 
1 66  VAL n 
1 67  PHE n 
1 68  SER n 
1 69  LEU n 
1 70  GLY n 
1 71  LYS n 
1 72  GLY n 
1 73  GLN n 
1 74  VAL n 
1 75  ILE n 
1 76  LYS n 
1 77  ALA n 
1 78  TRP n 
1 79  ASP n 
1 80  ILE n 
1 81  GLY n 
1 82  VAL n 
1 83  ALA n 
1 84  THR n 
1 85  MET n 
1 86  LYS n 
1 87  LYS n 
1 88  GLY n 
1 89  GLU n 
1 90  ILE n 
1 91  ALA n 
1 92  HIS n 
1 93  LEU n 
1 94  LEU n 
1 95  ILE n 
1 96  LYS n 
1 97  PRO n 
1 98  GLU n 
1 99  TYR n 
1 100 ALA n 
1 101 TYR n 
1 102 GLY n 
1 103 SER n 
1 104 ALA n 
1 105 GLY n 
1 106 SER n 
1 107 LEU n 
1 108 PRO n 
1 109 LYS n 
1 110 ILE n 
1 111 PRO n 
1 112 SER n 
1 113 ASN n 
1 114 ALA n 
1 115 THR n 
1 116 LEU n 
1 117 PHE n 
1 118 PHE n 
1 119 GLU n 
1 120 ILE n 
1 121 GLU n 
1 122 LEU n 
1 123 LEU n 
1 124 ASP n 
1 125 PHE n 
1 126 LYS n 
1 127 GLY n 
1 128 GLU 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                   128 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'FKBP5, AIG6, FKBP51' 
_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      'Homo sapiens' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     9606 
_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-Gold(DE3)pLysS AG'
;
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     866768 
_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 
A1INZ non-polymer         . 
;2-cyclohexyl-18,19-dimethoxy-13-methyl-11,17-dioxa-4-aza-1lambda5,18lambda5-diphospha-1,15-distannatetracyclo[13.4.0.04,9.016,20]nonadecane-3,10-quinone
;
?                 'C31 H44 N4 O6'  568.704 
ALA   'L-peptide linking' y ALANINE ?                 'C3 H7 N O2'     89.093  
ARG   'L-peptide linking' y ARGININE ?                 'C6 H15 N4 O2 1' 175.209 
ASN   'L-peptide linking' y ASPARAGINE ?                 'C4 H8 N2 O3'    132.118 
ASP   'L-peptide linking' y 'ASPARTIC ACID' ?                 'C4 H7 N O4'     133.103 
CYS   'L-peptide linking' y CYSTEINE ?                 'C3 H7 N O2 S'   121.158 
EDO   non-polymer         . 1,2-ETHANEDIOL 'ETHYLENE GLYCOL' 'C2 H6 O2'       62.068  
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 
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   GLY 1   13  13  GLY GLY A . n 
A 1 2   ALA 2   14  14  ALA ALA A . n 
A 1 3   PRO 3   15  15  PRO PRO A . n 
A 1 4   ALA 4   16  16  ALA ALA A . n 
A 1 5   THR 5   17  17  THR THR A . n 
A 1 6   VAL 6   18  18  VAL VAL A . n 
A 1 7   THR 7   19  19  THR THR A . n 
A 1 8   GLU 8   20  20  GLU GLU A . n 
A 1 9   GLN 9   21  21  GLN GLN A . n 
A 1 10  GLY 10  22  22  GLY GLY A . n 
A 1 11  GLU 11  23  23  GLU GLU A . n 
A 1 12  ASP 12  24  24  ASP ASP A . n 
A 1 13  ILE 13  25  25  ILE ILE A . n 
A 1 14  THR 14  26  26  THR THR A . n 
A 1 15  SER 15  27  27  SER SER A . n 
A 1 16  LYS 16  28  28  LYS LYS A . n 
A 1 17  LYS 17  29  29  LYS LYS A . n 
A 1 18  ASP 18  30  30  ASP ASP A . n 
A 1 19  ARG 19  31  31  ARG ARG A . n 
A 1 20  GLY 20  32  32  GLY GLY A . n 
A 1 21  VAL 21  33  33  VAL VAL A . n 
A 1 22  LEU 22  34  34  LEU LEU A . n 
A 1 23  LYS 23  35  35  LYS LYS A . n 
A 1 24  ILE 24  36  36  ILE ILE A . n 
A 1 25  VAL 25  37  37  VAL VAL A . n 
A 1 26  LYS 26  38  38  LYS LYS A . n 
A 1 27  ARG 27  39  39  ARG ARG A . n 
A 1 28  VAL 28  40  40  VAL VAL A . n 
A 1 29  GLY 29  41  41  GLY GLY A . n 
A 1 30  ASN 30  42  42  ASN ASN A . n 
A 1 31  GLY 31  43  43  GLY GLY A . n 
A 1 32  GLU 32  44  44  GLU GLU A . n 
A 1 33  GLU 33  45  45  GLU GLU A . n 
A 1 34  THR 34  46  46  THR THR A . n 
A 1 35  PRO 35  47  47  PRO PRO A . n 
A 1 36  MET 36  48  48  MET MET A . n 
A 1 37  ILE 37  49  49  ILE ILE A . n 
A 1 38  GLY 38  50  50  GLY GLY A . n 
A 1 39  ASP 39  51  51  ASP ASP A . n 
A 1 40  LYS 40  52  52  LYS LYS A . n 
A 1 41  VAL 41  53  53  VAL VAL A . n 
A 1 42  TYR 42  54  54  TYR TYR A . n 
A 1 43  VAL 43  55  55  VAL VAL A . n 
A 1 44  HIS 44  56  56  HIS HIS A . n 
A 1 45  TYR 45  57  57  TYR TYR A . n 
A 1 46  LYS 46  58  58  LYS LYS A . n 
A 1 47  GLY 47  59  59  GLY GLY A . n 
A 1 48  LYS 48  60  60  LYS LYS A . n 
A 1 49  LEU 49  61  61  LEU LEU A . n 
A 1 50  SER 50  62  62  SER SER A . n 
A 1 51  ASN 51  63  63  ASN ASN A . n 
A 1 52  GLY 52  64  64  GLY GLY A . n 
A 1 53  LYS 53  65  65  LYS LYS A . n 
A 1 54  LYS 54  66  66  LYS LYS A . n 
A 1 55  PHE 55  67  67  PHE PHE A . n 
A 1 56  ASP 56  68  68  ASP ASP A . n 
A 1 57  SER 57  69  69  SER SER A . n 
A 1 58  SER 58  70  70  SER SER A . n 
A 1 59  HIS 59  71  71  HIS HIS A . n 
A 1 60  ASP 60  72  72  ASP ASP A . n 
A 1 61  ARG 61  73  73  ARG ARG A . n 
A 1 62  ASN 62  74  74  ASN ASN A . n 
A 1 63  GLU 63  75  75  GLU GLU A . n 
A 1 64  PRO 64  76  76  PRO PRO A . n 
A 1 65  PHE 65  77  77  PHE PHE A . n 
A 1 66  VAL 66  78  78  VAL VAL A . n 
A 1 67  PHE 67  79  79  PHE PHE A . n 
A 1 68  SER 68  80  80  SER SER A . n 
A 1 69  LEU 69  81  81  LEU LEU A . n 
A 1 70  GLY 70  82  82  GLY GLY A . n 
A 1 71  LYS 71  83  83  LYS LYS A . n 
A 1 72  GLY 72  84  84  GLY GLY A . n 
A 1 73  GLN 73  85  85  GLN GLN A . n 
A 1 74  VAL 74  86  86  VAL VAL A . n 
A 1 75  ILE 75  87  87  ILE ILE A . n 
A 1 76  LYS 76  88  88  LYS LYS A . n 
A 1 77  ALA 77  89  89  ALA ALA A . n 
A 1 78  TRP 78  90  90  TRP TRP A . n 
A 1 79  ASP 79  91  91  ASP ASP A . n 
A 1 80  ILE 80  92  92  ILE ILE A . n 
A 1 81  GLY 81  93  93  GLY GLY A . n 
A 1 82  VAL 82  94  94  VAL VAL A . n 
A 1 83  ALA 83  95  95  ALA ALA A . n 
A 1 84  THR 84  96  96  THR THR A . n 
A 1 85  MET 85  97  97  MET MET A . n 
A 1 86  LYS 86  98  98  LYS LYS A . n 
A 1 87  LYS 87  99  99  LYS LYS A . n 
A 1 88  GLY 88  100 100 GLY GLY A . n 
A 1 89  GLU 89  101 101 GLU GLU A . n 
A 1 90  ILE 90  102 102 ILE ILE A . n 
A 1 91  ALA 91  103 103 ALA ALA A . n 
A 1 92  HIS 92  104 104 HIS HIS A . n 
A 1 93  LEU 93  105 105 LEU LEU A . n 
A 1 94  LEU 94  106 106 LEU LEU A . n 
A 1 95  ILE 95  107 107 ILE ILE A . n 
A 1 96  LYS 96  108 108 LYS LYS A . n 
A 1 97  PRO 97  109 109 PRO PRO A . n 
A 1 98  GLU 98  110 110 GLU GLU A . n 
A 1 99  TYR 99  111 111 TYR TYR A . n 
A 1 100 ALA 100 112 112 ALA ALA A . n 
A 1 101 TYR 101 113 113 TYR TYR A . n 
A 1 102 GLY 102 114 114 GLY GLY A . n 
A 1 103 SER 103 115 115 SER SER A . n 
A 1 104 ALA 104 116 116 ALA ALA A . n 
A 1 105 GLY 105 117 117 GLY GLY A . n 
A 1 106 SER 106 118 118 SER SER A . n 
A 1 107 LEU 107 119 119 LEU LEU A . n 
A 1 108 PRO 108 120 120 PRO PRO A . n 
A 1 109 LYS 109 121 121 LYS LYS A . n 
A 1 110 ILE 110 122 122 ILE ILE A . n 
A 1 111 PRO 111 123 123 PRO PRO A . n 
A 1 112 SER 112 124 124 SER SER A . n 
A 1 113 ASN 113 125 125 ASN ASN A . n 
A 1 114 ALA 114 126 126 ALA ALA A . n 
A 1 115 THR 115 127 127 THR THR A . n 
A 1 116 LEU 116 128 128 LEU LEU A . n 
A 1 117 PHE 117 129 129 PHE PHE A . n 
A 1 118 PHE 118 130 130 PHE PHE A . n 
A 1 119 GLU 119 131 131 GLU GLU A . n 
A 1 120 ILE 120 132 132 ILE ILE A . n 
A 1 121 GLU 121 133 133 GLU GLU A . n 
A 1 122 LEU 122 134 134 LEU LEU A . n 
A 1 123 LEU 123 135 135 LEU LEU A . n 
A 1 124 ASP 124 136 136 ASP ASP A . n 
A 1 125 PHE 125 137 137 PHE PHE A . n 
A 1 126 LYS 126 138 138 LYS LYS A . n 
A 1 127 GLY 127 139 139 GLY GLY A . n 
A 1 128 GLU 128 140 140 GLU GLU A . n 
B 1 1   GLY 1   13  13  GLY GLY B . n 
B 1 2   ALA 2   14  14  ALA ALA B . n 
B 1 3   PRO 3   15  15  PRO PRO B . n 
B 1 4   ALA 4   16  16  ALA ALA B . n 
B 1 5   THR 5   17  17  THR THR B . n 
B 1 6   VAL 6   18  18  VAL VAL B . n 
B 1 7   THR 7   19  19  THR THR B . n 
B 1 8   GLU 8   20  20  GLU GLU B . n 
B 1 9   GLN 9   21  21  GLN GLN B . n 
B 1 10  GLY 10  22  22  GLY GLY B . n 
B 1 11  GLU 11  23  23  GLU GLU B . n 
B 1 12  ASP 12  24  24  ASP ASP B . n 
B 1 13  ILE 13  25  25  ILE ILE B . n 
B 1 14  THR 14  26  26  THR THR B . n 
B 1 15  SER 15  27  27  SER SER B . n 
B 1 16  LYS 16  28  28  LYS LYS B . n 
B 1 17  LYS 17  29  29  LYS LYS B . n 
B 1 18  ASP 18  30  30  ASP ASP B . n 
B 1 19  ARG 19  31  31  ARG ARG B . n 
B 1 20  GLY 20  32  32  GLY GLY B . n 
B 1 21  VAL 21  33  33  VAL VAL B . n 
B 1 22  LEU 22  34  34  LEU LEU B . n 
B 1 23  LYS 23  35  35  LYS LYS B . n 
B 1 24  ILE 24  36  36  ILE ILE B . n 
B 1 25  VAL 25  37  37  VAL VAL B . n 
B 1 26  LYS 26  38  38  LYS LYS B . n 
B 1 27  ARG 27  39  39  ARG ARG B . n 
B 1 28  VAL 28  40  40  VAL VAL B . n 
B 1 29  GLY 29  41  41  GLY GLY B . n 
B 1 30  ASN 30  42  42  ASN ASN B . n 
B 1 31  GLY 31  43  43  GLY GLY B . n 
B 1 32  GLU 32  44  44  GLU GLU B . n 
B 1 33  GLU 33  45  45  GLU GLU B . n 
B 1 34  THR 34  46  46  THR THR B . n 
B 1 35  PRO 35  47  47  PRO PRO B . n 
B 1 36  MET 36  48  48  MET MET B . n 
B 1 37  ILE 37  49  49  ILE ILE B . n 
B 1 38  GLY 38  50  50  GLY GLY B . n 
B 1 39  ASP 39  51  51  ASP ASP B . n 
B 1 40  LYS 40  52  52  LYS LYS B . n 
B 1 41  VAL 41  53  53  VAL VAL B . n 
B 1 42  TYR 42  54  54  TYR TYR B . n 
B 1 43  VAL 43  55  55  VAL VAL B . n 
B 1 44  HIS 44  56  56  HIS HIS B . n 
B 1 45  TYR 45  57  57  TYR TYR B . n 
B 1 46  LYS 46  58  58  LYS LYS B . n 
B 1 47  GLY 47  59  59  GLY GLY B . n 
B 1 48  LYS 48  60  60  LYS LYS B . n 
B 1 49  LEU 49  61  61  LEU LEU B . n 
B 1 50  SER 50  62  62  SER SER B . n 
B 1 51  ASN 51  63  63  ASN ASN B . n 
B 1 52  GLY 52  64  64  GLY GLY B . n 
B 1 53  LYS 53  65  65  LYS LYS B . n 
B 1 54  LYS 54  66  66  LYS LYS B . n 
B 1 55  PHE 55  67  67  PHE PHE B . n 
B 1 56  ASP 56  68  68  ASP ASP B . n 
B 1 57  SER 57  69  69  SER SER B . n 
B 1 58  SER 58  70  70  SER SER B . n 
B 1 59  HIS 59  71  71  HIS HIS B . n 
B 1 60  ASP 60  72  72  ASP ASP B . n 
B 1 61  ARG 61  73  73  ARG ARG B . n 
B 1 62  ASN 62  74  74  ASN ASN B . n 
B 1 63  GLU 63  75  75  GLU GLU B . n 
B 1 64  PRO 64  76  76  PRO PRO B . n 
B 1 65  PHE 65  77  77  PHE PHE B . n 
B 1 66  VAL 66  78  78  VAL VAL B . n 
B 1 67  PHE 67  79  79  PHE PHE B . n 
B 1 68  SER 68  80  80  SER SER B . n 
B 1 69  LEU 69  81  81  LEU LEU B . n 
B 1 70  GLY 70  82  82  GLY GLY B . n 
B 1 71  LYS 71  83  83  LYS LYS B . n 
B 1 72  GLY 72  84  84  GLY GLY B . n 
B 1 73  GLN 73  85  85  GLN GLN B . n 
B 1 74  VAL 74  86  86  VAL VAL B . n 
B 1 75  ILE 75  87  87  ILE ILE B . n 
B 1 76  LYS 76  88  88  LYS LYS B . n 
B 1 77  ALA 77  89  89  ALA ALA B . n 
B 1 78  TRP 78  90  90  TRP TRP B . n 
B 1 79  ASP 79  91  91  ASP ASP B . n 
B 1 80  ILE 80  92  92  ILE ILE B . n 
B 1 81  GLY 81  93  93  GLY GLY B . n 
B 1 82  VAL 82  94  94  VAL VAL B . n 
B 1 83  ALA 83  95  95  ALA ALA B . n 
B 1 84  THR 84  96  96  THR THR B . n 
B 1 85  MET 85  97  97  MET MET B . n 
B 1 86  LYS 86  98  98  LYS LYS B . n 
B 1 87  LYS 87  99  99  LYS LYS B . n 
B 1 88  GLY 88  100 100 GLY GLY B . n 
B 1 89  GLU 89  101 101 GLU GLU B . n 
B 1 90  ILE 90  102 102 ILE ILE B . n 
B 1 91  ALA 91  103 103 ALA ALA B . n 
B 1 92  HIS 92  104 104 HIS HIS B . n 
B 1 93  LEU 93  105 105 LEU LEU B . n 
B 1 94  LEU 94  106 106 LEU LEU B . n 
B 1 95  ILE 95  107 107 ILE ILE B . n 
B 1 96  LYS 96  108 108 LYS LYS B . n 
B 1 97  PRO 97  109 109 PRO PRO B . n 
B 1 98  GLU 98  110 110 GLU GLU B . n 
B 1 99  TYR 99  111 111 TYR TYR B . n 
B 1 100 ALA 100 112 112 ALA ALA B . n 
B 1 101 TYR 101 113 113 TYR TYR B . n 
B 1 102 GLY 102 114 114 GLY GLY B . n 
B 1 103 SER 103 115 115 SER SER B . n 
B 1 104 ALA 104 116 116 ALA ALA B . n 
B 1 105 GLY 105 117 117 GLY GLY B . n 
B 1 106 SER 106 118 118 SER SER B . n 
B 1 107 LEU 107 119 119 LEU LEU B . n 
B 1 108 PRO 108 120 120 PRO PRO B . n 
B 1 109 LYS 109 121 121 LYS LYS B . n 
B 1 110 ILE 110 122 122 ILE ILE B . n 
B 1 111 PRO 111 123 123 PRO PRO B . n 
B 1 112 SER 112 124 124 SER SER B . n 
B 1 113 ASN 113 125 125 ASN ASN B . n 
B 1 114 ALA 114 126 126 ALA ALA B . n 
B 1 115 THR 115 127 127 THR THR B . n 
B 1 116 LEU 116 128 128 LEU LEU B . n 
B 1 117 PHE 117 129 129 PHE PHE B . n 
B 1 118 PHE 118 130 130 PHE PHE B . n 
B 1 119 GLU 119 131 131 GLU GLU B . n 
B 1 120 ILE 120 132 132 ILE ILE B . n 
B 1 121 GLU 121 133 133 GLU GLU B . n 
B 1 122 LEU 122 134 134 LEU LEU B . n 
B 1 123 LEU 123 135 135 LEU LEU B . n 
B 1 124 ASP 124 136 136 ASP ASP B . n 
B 1 125 PHE 125 137 137 PHE PHE B . n 
B 1 126 LYS 126 138 138 LYS LYS B . n 
B 1 127 GLY 127 139 139 GLY GLY B . n 
B 1 128 GLU 128 140 140 GLU GLU B . n 
C 1 1   GLY 1   13  13  GLY GLY C . n 
C 1 2   ALA 2   14  14  ALA ALA C . n 
C 1 3   PRO 3   15  15  PRO PRO C . n 
C 1 4   ALA 4   16  16  ALA ALA C . n 
C 1 5   THR 5   17  17  THR THR C . n 
C 1 6   VAL 6   18  18  VAL VAL C . n 
C 1 7   THR 7   19  19  THR THR C . n 
C 1 8   GLU 8   20  20  GLU GLU C . n 
C 1 9   GLN 9   21  21  GLN GLN C . n 
C 1 10  GLY 10  22  22  GLY GLY C . n 
C 1 11  GLU 11  23  23  GLU GLU C . n 
C 1 12  ASP 12  24  24  ASP ASP C . n 
C 1 13  ILE 13  25  25  ILE ILE C . n 
C 1 14  THR 14  26  26  THR THR C . n 
C 1 15  SER 15  27  27  SER SER C . n 
C 1 16  LYS 16  28  28  LYS LYS C . n 
C 1 17  LYS 17  29  29  LYS LYS C . n 
C 1 18  ASP 18  30  30  ASP ASP C . n 
C 1 19  ARG 19  31  31  ARG ARG C . n 
C 1 20  GLY 20  32  32  GLY GLY C . n 
C 1 21  VAL 21  33  33  VAL VAL C . n 
C 1 22  LEU 22  34  34  LEU LEU C . n 
C 1 23  LYS 23  35  35  LYS LYS C . n 
C 1 24  ILE 24  36  36  ILE ILE C . n 
C 1 25  VAL 25  37  37  VAL VAL C . n 
C 1 26  LYS 26  38  38  LYS LYS C . n 
C 1 27  ARG 27  39  39  ARG ARG C . n 
C 1 28  VAL 28  40  40  VAL VAL C . n 
C 1 29  GLY 29  41  41  GLY GLY C . n 
C 1 30  ASN 30  42  42  ASN ASN C . n 
C 1 31  GLY 31  43  43  GLY GLY C . n 
C 1 32  GLU 32  44  44  GLU GLU C . n 
C 1 33  GLU 33  45  45  GLU GLU C . n 
C 1 34  THR 34  46  46  THR THR C . n 
C 1 35  PRO 35  47  47  PRO PRO C . n 
C 1 36  MET 36  48  48  MET MET C . n 
C 1 37  ILE 37  49  49  ILE ILE C . n 
C 1 38  GLY 38  50  50  GLY GLY C . n 
C 1 39  ASP 39  51  51  ASP ASP C . n 
C 1 40  LYS 40  52  52  LYS LYS C . n 
C 1 41  VAL 41  53  53  VAL VAL C . n 
C 1 42  TYR 42  54  54  TYR TYR C . n 
C 1 43  VAL 43  55  55  VAL VAL C . n 
C 1 44  HIS 44  56  56  HIS HIS C . n 
C 1 45  TYR 45  57  57  TYR TYR C . n 
C 1 46  LYS 46  58  58  LYS LYS C . n 
C 1 47  GLY 47  59  59  GLY GLY C . n 
C 1 48  LYS 48  60  60  LYS LYS C . n 
C 1 49  LEU 49  61  61  LEU LEU C . n 
C 1 50  SER 50  62  62  SER SER C . n 
C 1 51  ASN 51  63  63  ASN ASN C . n 
C 1 52  GLY 52  64  64  GLY GLY C . n 
C 1 53  LYS 53  65  65  LYS LYS C . n 
C 1 54  LYS 54  66  66  LYS LYS C . n 
C 1 55  PHE 55  67  67  PHE PHE C . n 
C 1 56  ASP 56  68  68  ASP ASP C . n 
C 1 57  SER 57  69  69  SER SER C . n 
C 1 58  SER 58  70  70  SER SER C . n 
C 1 59  HIS 59  71  71  HIS HIS C . n 
C 1 60  ASP 60  72  72  ASP ASP C . n 
C 1 61  ARG 61  73  73  ARG ARG C . n 
C 1 62  ASN 62  74  74  ASN ASN C . n 
C 1 63  GLU 63  75  75  GLU GLU C . n 
C 1 64  PRO 64  76  76  PRO PRO C . n 
C 1 65  PHE 65  77  77  PHE PHE C . n 
C 1 66  VAL 66  78  78  VAL VAL C . n 
C 1 67  PHE 67  79  79  PHE PHE C . n 
C 1 68  SER 68  80  80  SER SER C . n 
C 1 69  LEU 69  81  81  LEU LEU C . n 
C 1 70  GLY 70  82  82  GLY GLY C . n 
C 1 71  LYS 71  83  83  LYS LYS C . n 
C 1 72  GLY 72  84  84  GLY GLY C . n 
C 1 73  GLN 73  85  85  GLN GLN C . n 
C 1 74  VAL 74  86  86  VAL VAL C . n 
C 1 75  ILE 75  87  87  ILE ILE C . n 
C 1 76  LYS 76  88  88  LYS LYS C . n 
C 1 77  ALA 77  89  89  ALA ALA C . n 
C 1 78  TRP 78  90  90  TRP TRP C . n 
C 1 79  ASP 79  91  91  ASP ASP C . n 
C 1 80  ILE 80  92  92  ILE ILE C . n 
C 1 81  GLY 81  93  93  GLY GLY C . n 
C 1 82  VAL 82  94  94  VAL VAL C . n 
C 1 83  ALA 83  95  95  ALA ALA C . n 
C 1 84  THR 84  96  96  THR THR C . n 
C 1 85  MET 85  97  97  MET MET C . n 
C 1 86  LYS 86  98  98  LYS LYS C . n 
C 1 87  LYS 87  99  99  LYS LYS C . n 
C 1 88  GLY 88  100 100 GLY GLY C . n 
C 1 89  GLU 89  101 101 GLU GLU C . n 
C 1 90  ILE 90  102 102 ILE ILE C . n 
C 1 91  ALA 91  103 103 ALA ALA C . n 
C 1 92  HIS 92  104 104 HIS HIS C . n 
C 1 93  LEU 93  105 105 LEU LEU C . n 
C 1 94  LEU 94  106 106 LEU LEU C . n 
C 1 95  ILE 95  107 107 ILE ILE C . n 
C 1 96  LYS 96  108 108 LYS LYS C . n 
C 1 97  PRO 97  109 109 PRO PRO C . n 
C 1 98  GLU 98  110 110 GLU GLU C . n 
C 1 99  TYR 99  111 111 TYR TYR C . n 
C 1 100 ALA 100 112 112 ALA ALA C . n 
C 1 101 TYR 101 113 113 TYR TYR C . n 
C 1 102 GLY 102 114 114 GLY GLY C . n 
C 1 103 SER 103 115 115 SER SER C . n 
C 1 104 ALA 104 116 116 ALA ALA C . n 
C 1 105 GLY 105 117 117 GLY GLY C . n 
C 1 106 SER 106 118 118 SER SER C . n 
C 1 107 LEU 107 119 119 LEU LEU C . n 
C 1 108 PRO 108 120 120 PRO PRO C . n 
C 1 109 LYS 109 121 121 LYS LYS C . n 
C 1 110 ILE 110 122 122 ILE ILE C . n 
C 1 111 PRO 111 123 123 PRO PRO C . n 
C 1 112 SER 112 124 124 SER SER C . n 
C 1 113 ASN 113 125 125 ASN ASN C . n 
C 1 114 ALA 114 126 126 ALA ALA C . n 
C 1 115 THR 115 127 127 THR THR C . n 
C 1 116 LEU 116 128 128 LEU LEU C . n 
C 1 117 PHE 117 129 129 PHE PHE C . n 
C 1 118 PHE 118 130 130 PHE PHE C . n 
C 1 119 GLU 119 131 131 GLU GLU C . n 
C 1 120 ILE 120 132 132 ILE ILE C . n 
C 1 121 GLU 121 133 133 GLU GLU C . n 
C 1 122 LEU 122 134 134 LEU LEU C . n 
C 1 123 LEU 123 135 135 LEU LEU C . n 
C 1 124 ASP 124 136 136 ASP ASP C . n 
C 1 125 PHE 125 137 137 PHE PHE C . n 
C 1 126 LYS 126 138 138 LYS LYS C . n 
C 1 127 GLY 127 139 139 GLY GLY C . n 
C 1 128 GLU 128 140 140 GLU GLU C . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        A1INZ 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1INZ 
_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 
D 2 A1INZ 1   201 201 A1INZ DRG A . 
E 3 EDO   1   202 202 EDO   EDO A . 
F 2 A1INZ 1   201 201 A1INZ DRG B . 
G 3 EDO   1   202 202 EDO   EDO B . 
H 2 A1INZ 1   201 201 A1INZ DRG C . 
I 3 EDO   1   202 202 EDO   EDO C . 
J 4 HOH   1   301 264 HOH   HOH A . 
J 4 HOH   2   302 288 HOH   HOH A . 
J 4 HOH   3   303 38  HOH   HOH A . 
J 4 HOH   4   304 63  HOH   HOH A . 
J 4 HOH   5   305 199 HOH   HOH A . 
J 4 HOH   6   306 7   HOH   HOH A . 
J 4 HOH   7   307 111 HOH   HOH A . 
J 4 HOH   8   308 58  HOH   HOH A . 
J 4 HOH   9   309 4   HOH   HOH A . 
J 4 HOH   10  310 48  HOH   HOH A . 
J 4 HOH   11  311 11  HOH   HOH A . 
J 4 HOH   12  312 241 HOH   HOH A . 
J 4 HOH   13  313 265 HOH   HOH A . 
J 4 HOH   14  314 22  HOH   HOH A . 
J 4 HOH   15  315 24  HOH   HOH A . 
J 4 HOH   16  316 160 HOH   HOH A . 
J 4 HOH   17  317 244 HOH   HOH A . 
J 4 HOH   18  318 79  HOH   HOH A . 
J 4 HOH   19  319 95  HOH   HOH A . 
J 4 HOH   20  320 143 HOH   HOH A . 
J 4 HOH   21  321 67  HOH   HOH A . 
J 4 HOH   22  322 30  HOH   HOH A . 
J 4 HOH   23  323 258 HOH   HOH A . 
J 4 HOH   24  324 197 HOH   HOH A . 
J 4 HOH   25  325 85  HOH   HOH A . 
J 4 HOH   26  326 165 HOH   HOH A . 
J 4 HOH   27  327 132 HOH   HOH A . 
J 4 HOH   28  328 185 HOH   HOH A . 
J 4 HOH   29  329 66  HOH   HOH A . 
J 4 HOH   30  330 19  HOH   HOH A . 
J 4 HOH   31  331 173 HOH   HOH A . 
J 4 HOH   32  332 75  HOH   HOH A . 
J 4 HOH   33  333 164 HOH   HOH A . 
J 4 HOH   34  334 171 HOH   HOH A . 
J 4 HOH   35  335 45  HOH   HOH A . 
J 4 HOH   36  336 21  HOH   HOH A . 
J 4 HOH   37  337 242 HOH   HOH A . 
J 4 HOH   38  338 119 HOH   HOH A . 
J 4 HOH   39  339 78  HOH   HOH A . 
J 4 HOH   40  340 240 HOH   HOH A . 
J 4 HOH   41  341 163 HOH   HOH A . 
J 4 HOH   42  342 221 HOH   HOH A . 
J 4 HOH   43  343 271 HOH   HOH A . 
J 4 HOH   44  344 80  HOH   HOH A . 
J 4 HOH   45  345 190 HOH   HOH A . 
J 4 HOH   46  346 101 HOH   HOH A . 
J 4 HOH   47  347 246 HOH   HOH A . 
J 4 HOH   48  348 107 HOH   HOH A . 
J 4 HOH   49  349 180 HOH   HOH A . 
J 4 HOH   50  350 61  HOH   HOH A . 
J 4 HOH   51  351 256 HOH   HOH A . 
J 4 HOH   52  352 192 HOH   HOH A . 
J 4 HOH   53  353 189 HOH   HOH A . 
J 4 HOH   54  354 277 HOH   HOH A . 
J 4 HOH   55  355 62  HOH   HOH A . 
J 4 HOH   56  356 172 HOH   HOH A . 
J 4 HOH   57  357 44  HOH   HOH A . 
J 4 HOH   58  358 136 HOH   HOH A . 
J 4 HOH   59  359 100 HOH   HOH A . 
J 4 HOH   60  360 109 HOH   HOH A . 
J 4 HOH   61  361 15  HOH   HOH A . 
J 4 HOH   62  362 270 HOH   HOH A . 
J 4 HOH   63  363 131 HOH   HOH A . 
J 4 HOH   64  364 72  HOH   HOH A . 
J 4 HOH   65  365 248 HOH   HOH A . 
J 4 HOH   66  366 220 HOH   HOH A . 
J 4 HOH   67  367 300 HOH   HOH A . 
J 4 HOH   68  368 183 HOH   HOH A . 
J 4 HOH   69  369 254 HOH   HOH A . 
J 4 HOH   70  370 146 HOH   HOH A . 
J 4 HOH   71  371 284 HOH   HOH A . 
J 4 HOH   72  372 247 HOH   HOH A . 
J 4 HOH   73  373 133 HOH   HOH A . 
J 4 HOH   74  374 123 HOH   HOH A . 
J 4 HOH   75  375 297 HOH   HOH A . 
J 4 HOH   76  376 141 HOH   HOH A . 
J 4 HOH   77  377 51  HOH   HOH A . 
J 4 HOH   78  378 104 HOH   HOH A . 
J 4 HOH   79  379 102 HOH   HOH A . 
J 4 HOH   80  380 250 HOH   HOH A . 
J 4 HOH   81  381 176 HOH   HOH A . 
J 4 HOH   82  382 226 HOH   HOH A . 
J 4 HOH   83  383 149 HOH   HOH A . 
J 4 HOH   84  384 294 HOH   HOH A . 
J 4 HOH   85  385 253 HOH   HOH A . 
J 4 HOH   86  386 282 HOH   HOH A . 
J 4 HOH   87  387 289 HOH   HOH A . 
J 4 HOH   88  388 105 HOH   HOH A . 
J 4 HOH   89  389 230 HOH   HOH A . 
K 4 HOH   1   301 175 HOH   HOH B . 
K 4 HOH   2   302 90  HOH   HOH B . 
K 4 HOH   3   303 210 HOH   HOH B . 
K 4 HOH   4   304 12  HOH   HOH B . 
K 4 HOH   5   305 32  HOH   HOH B . 
K 4 HOH   6   306 129 HOH   HOH B . 
K 4 HOH   7   307 120 HOH   HOH B . 
K 4 HOH   8   308 273 HOH   HOH B . 
K 4 HOH   9   309 186 HOH   HOH B . 
K 4 HOH   10  310 50  HOH   HOH B . 
K 4 HOH   11  311 25  HOH   HOH B . 
K 4 HOH   12  312 218 HOH   HOH B . 
K 4 HOH   13  313 162 HOH   HOH B . 
K 4 HOH   14  314 49  HOH   HOH B . 
K 4 HOH   15  315 168 HOH   HOH B . 
K 4 HOH   16  316 65  HOH   HOH B . 
K 4 HOH   17  317 269 HOH   HOH B . 
K 4 HOH   18  318 150 HOH   HOH B . 
K 4 HOH   19  319 1   HOH   HOH B . 
K 4 HOH   20  320 155 HOH   HOH B . 
K 4 HOH   21  321 91  HOH   HOH B . 
K 4 HOH   22  322 198 HOH   HOH B . 
K 4 HOH   23  323 13  HOH   HOH B . 
K 4 HOH   24  324 42  HOH   HOH B . 
K 4 HOH   25  325 28  HOH   HOH B . 
K 4 HOH   26  326 87  HOH   HOH B . 
K 4 HOH   27  327 14  HOH   HOH B . 
K 4 HOH   28  328 125 HOH   HOH B . 
K 4 HOH   29  329 26  HOH   HOH B . 
K 4 HOH   30  330 74  HOH   HOH B . 
K 4 HOH   31  331 128 HOH   HOH B . 
K 4 HOH   32  332 41  HOH   HOH B . 
K 4 HOH   33  333 83  HOH   HOH B . 
K 4 HOH   34  334 272 HOH   HOH B . 
K 4 HOH   35  335 222 HOH   HOH B . 
K 4 HOH   36  336 60  HOH   HOH B . 
K 4 HOH   37  337 182 HOH   HOH B . 
K 4 HOH   38  338 64  HOH   HOH B . 
K 4 HOH   39  339 115 HOH   HOH B . 
K 4 HOH   40  340 174 HOH   HOH B . 
K 4 HOH   41  341 53  HOH   HOH B . 
K 4 HOH   42  342 137 HOH   HOH B . 
K 4 HOH   43  343 56  HOH   HOH B . 
K 4 HOH   44  344 194 HOH   HOH B . 
K 4 HOH   45  345 214 HOH   HOH B . 
K 4 HOH   46  346 68  HOH   HOH B . 
K 4 HOH   47  347 134 HOH   HOH B . 
K 4 HOH   48  348 88  HOH   HOH B . 
K 4 HOH   49  349 52  HOH   HOH B . 
K 4 HOH   50  350 156 HOH   HOH B . 
K 4 HOH   51  351 23  HOH   HOH B . 
K 4 HOH   52  352 231 HOH   HOH B . 
K 4 HOH   53  353 9   HOH   HOH B . 
K 4 HOH   54  354 37  HOH   HOH B . 
K 4 HOH   55  355 191 HOH   HOH B . 
K 4 HOH   56  356 158 HOH   HOH B . 
K 4 HOH   57  357 281 HOH   HOH B . 
K 4 HOH   58  358 188 HOH   HOH B . 
K 4 HOH   59  359 201 HOH   HOH B . 
K 4 HOH   60  360 161 HOH   HOH B . 
K 4 HOH   61  361 154 HOH   HOH B . 
K 4 HOH   62  362 252 HOH   HOH B . 
K 4 HOH   63  363 202 HOH   HOH B . 
K 4 HOH   64  364 153 HOH   HOH B . 
K 4 HOH   65  365 99  HOH   HOH B . 
K 4 HOH   66  366 219 HOH   HOH B . 
K 4 HOH   67  367 86  HOH   HOH B . 
K 4 HOH   68  368 81  HOH   HOH B . 
K 4 HOH   69  369 257 HOH   HOH B . 
K 4 HOH   70  370 151 HOH   HOH B . 
K 4 HOH   71  371 71  HOH   HOH B . 
K 4 HOH   72  372 43  HOH   HOH B . 
K 4 HOH   73  373 232 HOH   HOH B . 
K 4 HOH   74  374 92  HOH   HOH B . 
K 4 HOH   75  375 204 HOH   HOH B . 
K 4 HOH   76  376 245 HOH   HOH B . 
K 4 HOH   77  377 216 HOH   HOH B . 
K 4 HOH   78  378 275 HOH   HOH B . 
K 4 HOH   79  379 299 HOH   HOH B . 
K 4 HOH   80  380 286 HOH   HOH B . 
K 4 HOH   81  381 291 HOH   HOH B . 
K 4 HOH   82  382 279 HOH   HOH B . 
K 4 HOH   83  383 213 HOH   HOH B . 
K 4 HOH   84  384 73  HOH   HOH B . 
K 4 HOH   85  385 193 HOH   HOH B . 
K 4 HOH   86  386 135 HOH   HOH B . 
K 4 HOH   87  387 233 HOH   HOH B . 
K 4 HOH   88  388 114 HOH   HOH B . 
K 4 HOH   89  389 113 HOH   HOH B . 
K 4 HOH   90  390 295 HOH   HOH B . 
K 4 HOH   91  391 178 HOH   HOH B . 
K 4 HOH   92  392 287 HOH   HOH B . 
K 4 HOH   93  393 181 HOH   HOH B . 
K 4 HOH   94  394 224 HOH   HOH B . 
K 4 HOH   95  395 122 HOH   HOH B . 
K 4 HOH   96  396 130 HOH   HOH B . 
K 4 HOH   97  397 139 HOH   HOH B . 
K 4 HOH   98  398 93  HOH   HOH B . 
K 4 HOH   99  399 237 HOH   HOH B . 
K 4 HOH   100 400 148 HOH   HOH B . 
K 4 HOH   101 401 296 HOH   HOH B . 
K 4 HOH   102 402 227 HOH   HOH B . 
K 4 HOH   103 403 235 HOH   HOH B . 
K 4 HOH   104 404 261 HOH   HOH B . 
L 4 HOH   1   301 259 HOH   HOH C . 
L 4 HOH   2   302 89  HOH   HOH C . 
L 4 HOH   3   303 97  HOH   HOH C . 
L 4 HOH   4   304 285 HOH   HOH C . 
L 4 HOH   5   305 196 HOH   HOH C . 
L 4 HOH   6   306 40  HOH   HOH C . 
L 4 HOH   7   307 152 HOH   HOH C . 
L 4 HOH   8   308 205 HOH   HOH C . 
L 4 HOH   9   309 46  HOH   HOH C . 
L 4 HOH   10  310 208 HOH   HOH C . 
L 4 HOH   11  311 184 HOH   HOH C . 
L 4 HOH   12  312 16  HOH   HOH C . 
L 4 HOH   13  313 147 HOH   HOH C . 
L 4 HOH   14  314 212 HOH   HOH C . 
L 4 HOH   15  315 55  HOH   HOH C . 
L 4 HOH   16  316 292 HOH   HOH C . 
L 4 HOH   17  317 77  HOH   HOH C . 
L 4 HOH   18  318 177 HOH   HOH C . 
L 4 HOH   19  319 260 HOH   HOH C . 
L 4 HOH   20  320 29  HOH   HOH C . 
L 4 HOH   21  321 127 HOH   HOH C . 
L 4 HOH   22  322 266 HOH   HOH C . 
L 4 HOH   23  323 298 HOH   HOH C . 
L 4 HOH   24  324 283 HOH   HOH C . 
L 4 HOH   25  325 35  HOH   HOH C . 
L 4 HOH   26  326 169 HOH   HOH C . 
L 4 HOH   27  327 82  HOH   HOH C . 
L 4 HOH   28  328 217 HOH   HOH C . 
L 4 HOH   29  329 159 HOH   HOH C . 
L 4 HOH   30  330 207 HOH   HOH C . 
L 4 HOH   31  331 31  HOH   HOH C . 
L 4 HOH   32  332 278 HOH   HOH C . 
L 4 HOH   33  333 116 HOH   HOH C . 
L 4 HOH   34  334 36  HOH   HOH C . 
L 4 HOH   35  335 223 HOH   HOH C . 
L 4 HOH   36  336 18  HOH   HOH C . 
L 4 HOH   37  337 84  HOH   HOH C . 
L 4 HOH   38  338 144 HOH   HOH C . 
L 4 HOH   39  339 47  HOH   HOH C . 
L 4 HOH   40  340 203 HOH   HOH C . 
L 4 HOH   41  341 126 HOH   HOH C . 
L 4 HOH   42  342 187 HOH   HOH C . 
L 4 HOH   43  343 293 HOH   HOH C . 
L 4 HOH   44  344 94  HOH   HOH C . 
L 4 HOH   45  345 110 HOH   HOH C . 
L 4 HOH   46  346 76  HOH   HOH C . 
L 4 HOH   47  347 108 HOH   HOH C . 
L 4 HOH   48  348 112 HOH   HOH C . 
L 4 HOH   49  349 170 HOH   HOH C . 
L 4 HOH   50  350 215 HOH   HOH C . 
L 4 HOH   51  351 106 HOH   HOH C . 
L 4 HOH   52  352 262 HOH   HOH C . 
L 4 HOH   53  353 54  HOH   HOH C . 
L 4 HOH   54  354 301 HOH   HOH C . 
L 4 HOH   55  355 3   HOH   HOH C . 
L 4 HOH   56  356 57  HOH   HOH C . 
L 4 HOH   57  357 206 HOH   HOH C . 
L 4 HOH   58  358 211 HOH   HOH C . 
L 4 HOH   59  359 17  HOH   HOH C . 
L 4 HOH   60  360 121 HOH   HOH C . 
L 4 HOH   61  361 69  HOH   HOH C . 
L 4 HOH   62  362 103 HOH   HOH C . 
L 4 HOH   63  363 138 HOH   HOH C . 
L 4 HOH   64  364 6   HOH   HOH C . 
L 4 HOH   65  365 140 HOH   HOH C . 
L 4 HOH   66  366 98  HOH   HOH C . 
L 4 HOH   67  367 276 HOH   HOH C . 
L 4 HOH   68  368 166 HOH   HOH C . 
L 4 HOH   69  369 34  HOH   HOH C . 
L 4 HOH   70  370 27  HOH   HOH C . 
L 4 HOH   71  371 145 HOH   HOH C . 
L 4 HOH   72  372 195 HOH   HOH C . 
L 4 HOH   73  373 179 HOH   HOH C . 
L 4 HOH   74  374 118 HOH   HOH C . 
L 4 HOH   75  375 124 HOH   HOH C . 
L 4 HOH   76  376 243 HOH   HOH C . 
L 4 HOH   77  377 209 HOH   HOH C . 
L 4 HOH   78  378 229 HOH   HOH C . 
L 4 HOH   79  379 167 HOH   HOH C . 
L 4 HOH   80  380 157 HOH   HOH C . 
L 4 HOH   81  381 274 HOH   HOH C . 
L 4 HOH   82  382 236 HOH   HOH C . 
L 4 HOH   83  383 234 HOH   HOH C . 
L 4 HOH   84  384 59  HOH   HOH C . 
L 4 HOH   85  385 290 HOH   HOH C . 
L 4 HOH   86  386 267 HOH   HOH C . 
L 4 HOH   87  387 33  HOH   HOH C . 
L 4 HOH   88  388 280 HOH   HOH C . 
L 4 HOH   89  389 255 HOH   HOH C . 
L 4 HOH   90  390 142 HOH   HOH C . 
L 4 HOH   91  391 263 HOH   HOH C . 
L 4 HOH   92  392 117 HOH   HOH C . 
L 4 HOH   93  393 268 HOH   HOH C . 
L 4 HOH   94  394 249 HOH   HOH C . 
L 4 HOH   95  395 228 HOH   HOH C . 
L 4 HOH   96  396 239 HOH   HOH C . 
L 4 HOH   97  397 225 HOH   HOH C . 
L 4 HOH   98  398 39  HOH   HOH C . 
L 4 HOH   99  399 251 HOH   HOH C . 
L 4 HOH   100 400 200 HOH   HOH C . 
L 4 HOH   101 401 70  HOH   HOH C . 
L 4 HOH   102 402 238 HOH   HOH C . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1   1 Y 1 A GLU 20  ? CG  ? A GLU 8   CG  
2   1 Y 1 A GLU 20  ? CD  ? A GLU 8   CD  
3   1 Y 1 A GLU 20  ? OE1 ? A GLU 8   OE1 
4   1 Y 1 A GLU 20  ? OE2 ? A GLU 8   OE2 
5   1 Y 1 A GLU 23  ? CD  ? A GLU 11  CD  
6   1 Y 1 A GLU 23  ? OE1 ? A GLU 11  OE1 
7   1 Y 1 A GLU 23  ? OE2 ? A GLU 11  OE2 
8   1 Y 1 A GLU 44  ? CG  ? A GLU 32  CG  
9   1 Y 1 A GLU 44  ? CD  ? A GLU 32  CD  
10  1 Y 1 A GLU 44  ? OE1 ? A GLU 32  OE1 
11  1 Y 1 A GLU 44  ? OE2 ? A GLU 32  OE2 
12  1 Y 1 A GLU 45  ? CG  ? A GLU 33  CG  
13  1 Y 1 A GLU 45  ? CD  ? A GLU 33  CD  
14  1 Y 1 A GLU 45  ? OE1 ? A GLU 33  OE1 
15  1 Y 1 A GLU 45  ? OE2 ? A GLU 33  OE2 
16  1 Y 1 A ASN 63  ? CG  ? A ASN 51  CG  
17  1 Y 1 A ASN 63  ? OD1 ? A ASN 51  OD1 
18  1 Y 1 A ASN 63  ? ND2 ? A ASN 51  ND2 
19  1 Y 1 A LYS 65  ? CG  ? A LYS 53  CG  
20  1 Y 1 A LYS 65  ? CD  ? A LYS 53  CD  
21  1 Y 1 A LYS 65  ? CE  ? A LYS 53  CE  
22  1 Y 1 A LYS 65  ? NZ  ? A LYS 53  NZ  
23  1 Y 1 A ARG 73  ? CG  ? A ARG 61  CG  
24  1 Y 1 A ARG 73  ? CD  ? A ARG 61  CD  
25  1 Y 1 A ARG 73  ? NE  ? A ARG 61  NE  
26  1 Y 1 A ARG 73  ? CZ  ? A ARG 61  CZ  
27  1 Y 1 A ARG 73  ? NH1 ? A ARG 61  NH1 
28  1 Y 1 A ARG 73  ? NH2 ? A ARG 61  NH2 
29  1 Y 1 A LYS 83  ? NZ  ? A LYS 71  NZ  
30  1 Y 1 A LYS 88  ? CG  ? A LYS 76  CG  
31  1 Y 1 A LYS 88  ? CD  ? A LYS 76  CD  
32  1 Y 1 A LYS 88  ? CE  ? A LYS 76  CE  
33  1 Y 1 A LYS 88  ? NZ  ? A LYS 76  NZ  
34  1 Y 1 A LYS 138 ? CG  ? A LYS 126 CG  
35  1 Y 1 A LYS 138 ? CD  ? A LYS 126 CD  
36  1 Y 1 A LYS 138 ? CE  ? A LYS 126 CE  
37  1 Y 1 A LYS 138 ? NZ  ? A LYS 126 NZ  
38  1 Y 1 A GLU 140 ? CG  ? A GLU 128 CG  
39  1 Y 1 A GLU 140 ? CD  ? A GLU 128 CD  
40  1 Y 1 A GLU 140 ? OE1 ? A GLU 128 OE1 
41  1 Y 1 A GLU 140 ? OE2 ? A GLU 128 OE2 
42  1 Y 1 B LYS 28  ? CE  ? B LYS 16  CE  
43  1 Y 1 B LYS 28  ? NZ  ? B LYS 16  NZ  
44  1 Y 1 B LYS 29  ? CE  ? B LYS 17  CE  
45  1 Y 1 B LYS 29  ? NZ  ? B LYS 17  NZ  
46  1 Y 1 B GLU 44  ? CG  ? B GLU 32  CG  
47  1 Y 1 B GLU 44  ? CD  ? B GLU 32  CD  
48  1 Y 1 B GLU 44  ? OE1 ? B GLU 32  OE1 
49  1 Y 1 B GLU 44  ? OE2 ? B GLU 32  OE2 
50  1 Y 1 B LYS 52  ? CE  ? B LYS 40  CE  
51  1 Y 1 B LYS 52  ? NZ  ? B LYS 40  NZ  
52  1 Y 1 B ASN 63  ? CG  ? B ASN 51  CG  
53  1 Y 1 B ASN 63  ? OD1 ? B ASN 51  OD1 
54  1 Y 1 B ASN 63  ? ND2 ? B ASN 51  ND2 
55  1 Y 1 B LYS 65  ? CG  ? B LYS 53  CG  
56  1 Y 1 B LYS 65  ? CD  ? B LYS 53  CD  
57  1 Y 1 B LYS 65  ? CE  ? B LYS 53  CE  
58  1 Y 1 B LYS 65  ? NZ  ? B LYS 53  NZ  
59  1 Y 1 B LYS 66  ? CG  ? B LYS 54  CG  
60  1 Y 1 B LYS 66  ? CD  ? B LYS 54  CD  
61  1 Y 1 B LYS 66  ? CE  ? B LYS 54  CE  
62  1 Y 1 B LYS 66  ? NZ  ? B LYS 54  NZ  
63  1 Y 1 B ARG 73  ? CG  ? B ARG 61  CG  
64  1 Y 1 B ARG 73  ? CD  ? B ARG 61  CD  
65  1 Y 1 B ARG 73  ? NE  ? B ARG 61  NE  
66  1 Y 1 B ARG 73  ? CZ  ? B ARG 61  CZ  
67  1 Y 1 B ARG 73  ? NH1 ? B ARG 61  NH1 
68  1 Y 1 B ARG 73  ? NH2 ? B ARG 61  NH2 
69  1 Y 1 B ASN 74  ? CG  ? B ASN 62  CG  
70  1 Y 1 B ASN 74  ? OD1 ? B ASN 62  OD1 
71  1 Y 1 B ASN 74  ? ND2 ? B ASN 62  ND2 
72  1 Y 1 B LYS 83  ? CD  ? B LYS 71  CD  
73  1 Y 1 B LYS 83  ? CE  ? B LYS 71  CE  
74  1 Y 1 B LYS 83  ? NZ  ? B LYS 71  NZ  
75  1 Y 1 B LYS 88  ? CD  ? B LYS 76  CD  
76  1 Y 1 B LYS 88  ? CE  ? B LYS 76  CE  
77  1 Y 1 B LYS 88  ? NZ  ? B LYS 76  NZ  
78  1 Y 1 B LYS 138 ? CD  ? B LYS 126 CD  
79  1 Y 1 B LYS 138 ? CE  ? B LYS 126 CE  
80  1 Y 1 B LYS 138 ? NZ  ? B LYS 126 NZ  
81  1 Y 1 B GLU 140 ? CG  ? B GLU 128 CG  
82  1 Y 1 B GLU 140 ? CD  ? B GLU 128 CD  
83  1 Y 1 B GLU 140 ? OE1 ? B GLU 128 OE1 
84  1 Y 1 B GLU 140 ? OE2 ? B GLU 128 OE2 
85  1 Y 1 C GLU 20  ? CG  ? C GLU 8   CG  
86  1 Y 1 C GLU 20  ? CD  ? C GLU 8   CD  
87  1 Y 1 C GLU 20  ? OE1 ? C GLU 8   OE1 
88  1 Y 1 C GLU 20  ? OE2 ? C GLU 8   OE2 
89  1 Y 1 C LYS 29  ? CE  ? C LYS 17  CE  
90  1 Y 1 C LYS 29  ? NZ  ? C LYS 17  NZ  
91  1 Y 1 C GLU 44  ? CG  ? C GLU 32  CG  
92  1 Y 1 C GLU 44  ? CD  ? C GLU 32  CD  
93  1 Y 1 C GLU 44  ? OE1 ? C GLU 32  OE1 
94  1 Y 1 C GLU 44  ? OE2 ? C GLU 32  OE2 
95  1 Y 1 C GLU 45  ? CG  ? C GLU 33  CG  
96  1 Y 1 C GLU 45  ? CD  ? C GLU 33  CD  
97  1 Y 1 C GLU 45  ? OE1 ? C GLU 33  OE1 
98  1 Y 1 C GLU 45  ? OE2 ? C GLU 33  OE2 
99  1 Y 1 C LYS 52  ? CE  ? C LYS 40  CE  
100 1 Y 1 C LYS 52  ? NZ  ? C LYS 40  NZ  
101 1 Y 1 C ASN 63  ? CG  ? C ASN 51  CG  
102 1 Y 1 C ASN 63  ? OD1 ? C ASN 51  OD1 
103 1 Y 1 C ASN 63  ? ND2 ? C ASN 51  ND2 
104 1 Y 1 C LYS 65  ? CG  ? C LYS 53  CG  
105 1 Y 1 C LYS 65  ? CD  ? C LYS 53  CD  
106 1 Y 1 C LYS 65  ? CE  ? C LYS 53  CE  
107 1 Y 1 C LYS 65  ? NZ  ? C LYS 53  NZ  
108 1 Y 1 C LYS 66  ? CG  ? C LYS 54  CG  
109 1 Y 1 C LYS 66  ? CD  ? C LYS 54  CD  
110 1 Y 1 C LYS 66  ? CE  ? C LYS 54  CE  
111 1 Y 1 C LYS 66  ? NZ  ? C LYS 54  NZ  
112 1 Y 1 C ARG 73  ? CG  ? C ARG 61  CG  
113 1 Y 1 C ARG 73  ? CD  ? C ARG 61  CD  
114 1 Y 1 C ARG 73  ? NE  ? C ARG 61  NE  
115 1 Y 1 C ARG 73  ? CZ  ? C ARG 61  CZ  
116 1 Y 1 C ARG 73  ? NH1 ? C ARG 61  NH1 
117 1 Y 1 C ARG 73  ? NH2 ? C ARG 61  NH2 
118 1 Y 1 C LYS 88  ? CG  ? C LYS 76  CG  
119 1 Y 1 C LYS 88  ? CD  ? C LYS 76  CD  
120 1 Y 1 C LYS 88  ? CE  ? C LYS 76  CE  
121 1 Y 1 C LYS 88  ? NZ  ? C LYS 76  NZ  
122 1 Y 1 C LYS 108 ? CD  ? C LYS 96  CD  
123 1 Y 1 C LYS 108 ? CE  ? C LYS 96  CE  
124 1 Y 1 C LYS 108 ? NZ  ? C LYS 96  NZ  
125 1 Y 1 C GLU 110 ? CG  ? C GLU 98  CG  
126 1 Y 1 C GLU 110 ? CD  ? C GLU 98  CD  
127 1 Y 1 C GLU 110 ? OE1 ? C GLU 98  OE1 
128 1 Y 1 C GLU 110 ? OE2 ? C GLU 98  OE2 
129 1 Y 1 C LYS 138 ? CG  ? C LYS 126 CG  
130 1 Y 1 C LYS 138 ? CD  ? C LYS 126 CD  
131 1 Y 1 C LYS 138 ? CE  ? C LYS 126 CE  
132 1 Y 1 C LYS 138 ? NZ  ? C LYS 126 NZ  
133 1 Y 1 C GLU 140 ? CG  ? C GLU 128 CG  
134 1 Y 1 C GLU 140 ? CD  ? C GLU 128 CD  
135 1 Y 1 C GLU 140 ? OE1 ? C GLU 128 OE1 
136 1 Y 1 C GLU 140 ? OE2 ? C GLU 128 OE2 
# 
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       ? ? ? ? ? ? ? ? ? ? ? REFMAC  ? ? ? '5.8.0430 (refmacat 0.4.82)' 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? autoXDS ? ? ? .                            2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? .                            3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER  ? ? ? .                            4 
# 
_cell.angle_alpha                  90 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   111.259 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9GPY 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     84.589 
_cell.length_a_esd                 ? 
_cell.length_b                     48.797 
_cell.length_b_esd                 ? 
_cell.length_c                     99.904 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        12 
_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                         9GPY 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                5 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'C 1 2 1' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   9GPY 
_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             2.29 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          46.22 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, HANGING 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    '18% PEG3350, 0.2M ammonium acetate, 0.1M HEPES-NaOH pH 7.5, 10% glycol' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS PILATUS3 S 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         2024-06-26 
_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   0.918400 
_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                        'BESSY BEAMLINE 14.1' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.918400 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   14.1 
_diffrn_source.pdbx_synchrotron_site       BESSY 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9GPY 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.50 
_reflns.d_resolution_low                               46.55 
_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                                     60091 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           98.5 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                5.3 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          12.9 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               1.01 
_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                                0.065 
_reflns.pdbx_Rpim_I_all                                0.038 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.999 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.052 
_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                        ? 
# 
loop_
_reflns_shell.d_res_high 
_reflns_shell.d_res_low 
_reflns_shell.meanI_over_sigI_all 
_reflns_shell.meanI_over_sigI_obs 
_reflns_shell.number_measured_all 
_reflns_shell.number_measured_obs 
_reflns_shell.number_possible 
_reflns_shell.number_unique_all 
_reflns_shell.number_unique_obs 
_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 
_reflns_shell.pdbx_Rpim_I_all 
_reflns_shell.pdbx_rejects 
_reflns_shell.pdbx_ordinal 
_reflns_shell.pdbx_diffrn_id 
_reflns_shell.pdbx_CC_half 
_reflns_shell.pdbx_CC_star 
_reflns_shell.pdbx_R_split 
_reflns_shell.percent_possible_all 
_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 
8.22 46.55 ? 39.5 ? ? ? ? 395  ? ? ? ? ? ? ? ? ? ? ? 5.1 0.71 ? ? 0.021 0.012 ? 1 ? 1.000 ? ? 98.0 ? 0.017 ? ? ? ? ? ? ? ? ? 
1.50 1.53  ? 1.1  ? ? ? ? 2966 ? ? ? ? ? ? ? ? ? ? ? 5.5 1.02 ? ? 1.939 1.119 ? 2 ? 0.666 ? ? 96.8 ? 1.573 ? ? ? ? ? ? ? ? ? 
# 
_refine.aniso_B[1][1]                            0.969 
_refine.aniso_B[1][2]                            0.000 
_refine.aniso_B[1][3]                            -2.037 
_refine.aniso_B[2][2]                            -0.471 
_refine.aniso_B[2][3]                            -0.000 
_refine.aniso_B[3][3]                            0.835 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               20.900 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.975 
_refine.correlation_coeff_Fo_to_Fc_free          0.963 
_refine.details                                  'Hydrogens have been added in their riding positions' 
_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                                 9GPY 
_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                            1.500 
_refine.ls_d_res_low                             46.55 
_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                     60088 
_refine.ls_number_reflns_R_free                  3029 
_refine.ls_number_reflns_R_work                  57059 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    98.455 
_refine.ls_percent_reflns_R_free                 5.041 
_refine.ls_R_factor_all                          0.177 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.2200 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1748 
_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                    'MASK BULK SOLVENT' 
_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                          ? 
_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               THROUGHOUT 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       ? 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       0.094 
_refine.pdbx_overall_ESU_R_Free                  0.081 
_refine.pdbx_solvent_vdw_probe_radii             1.200 
_refine.pdbx_solvent_ion_probe_radii             0.800 
_refine.pdbx_solvent_shrinkage_radii             0.800 
_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                 ? 
_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                             5.111 
_refine.overall_SU_ML                            0.077 
_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                       1.500 
_refine_hist.d_res_low                        46.55 
_refine_hist.number_atoms_solvent             295 
_refine_hist.number_atoms_total               3255 
_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        2825 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         135 
_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' ? 0.011  0.012  3093 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.016  2900 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 1.658  1.822  4187 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 0.557  1.744  6754 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 7.974  5.000  393  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 29.504 13.654 26   ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 12.142 10.000 486  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 14.366 10.000 104  ? r_dihedral_angle_6_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.083  0.200  456  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.010  0.020  3524 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.003  0.020  626  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.207  0.200  526  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.200  0.200  2502 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.178  0.200  1559 ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.091  0.200  1525 ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.138  0.200  195  ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.160  0.200  12   ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.181  0.200  64   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.105  0.200  32   ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 7.205  2.029  1563 ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 7.196  2.028  1563 ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 10.610 3.642  1959 ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 10.615 3.643  1960 ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 7.387  2.073  1530 ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 7.385  2.073  1531 ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 10.642 3.719  2228 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 10.640 3.720  2229 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 15.647 21.550 3432 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 15.097 20.833 3378 ? r_lrange_other                 ? ? 
'X-RAY DIFFRACTION' ? 5.026  3.000  5993 ? r_rigid_bond_restr             ? ? 
'X-RAY DIFFRACTION' ? 0.077  0.050  3708 ? r_ncsr_local_group_1           ? ? 
'X-RAY DIFFRACTION' ? 0.082  0.050  3674 ? r_ncsr_local_group_2           ? ? 
'X-RAY DIFFRACTION' ? 0.080  0.050  3631 ? r_ncsr_local_group_3           ? ? 
# 
loop_
_refine_ls_restr_ncs.pdbx_refine_id 
_refine_ls_restr_ncs.dom_id 
_refine_ls_restr_ncs.ncs_model_details 
_refine_ls_restr_ncs.rms_dev_B_iso 
_refine_ls_restr_ncs.rms_dev_position 
_refine_ls_restr_ncs.weight_B_iso 
_refine_ls_restr_ncs.weight_position 
_refine_ls_restr_ncs.pdbx_ordinal 
_refine_ls_restr_ncs.pdbx_type 
_refine_ls_restr_ncs.pdbx_asym_id 
_refine_ls_restr_ncs.pdbx_auth_asym_id 
_refine_ls_restr_ncs.pdbx_number 
_refine_ls_restr_ncs.pdbx_rms 
_refine_ls_restr_ncs.pdbx_weight 
_refine_ls_restr_ncs.pdbx_ens_id 
'X-RAY DIFFRACTION' 1 ? ? 0.07653 ? 0.05009 1 'Local ncs' ? A ? ? ? 1 
'X-RAY DIFFRACTION' 2 ? ? 0.07653 ? 0.05009 2 'Local ncs' ? B ? ? ? 1 
'X-RAY DIFFRACTION' 3 ? ? 0.08190 ? 0.05009 3 'Local ncs' ? A ? ? ? 2 
'X-RAY DIFFRACTION' 4 ? ? 0.08190 ? 0.05009 4 'Local ncs' ? C ? ? ? 2 
'X-RAY DIFFRACTION' 5 ? ? 0.07961 ? 0.05009 5 'Local ncs' ? B ? ? ? 3 
'X-RAY DIFFRACTION' 6 ? ? 0.07961 ? 0.05009 6 'Local ncs' ? C ? ? ? 3 
# 
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' 1.500 1.539 4530 . 223 4201 97.6600 . 0.349 . . 0.348 . . . . . 0.338 . 20 . 0.867 0.870 0.363 
'X-RAY DIFFRACTION' 1.539 1.581 4345 . 228 4005 97.4223 . 0.309 . . 0.309 . . . . . 0.297 . 20 . 0.903 0.904 0.312 
'X-RAY DIFFRACTION' 1.581 1.627 4278 . 231 3950 97.7326 . 0.277 . . 0.275 . . . . . 0.256 . 20 . 0.924 0.885 0.307 
'X-RAY DIFFRACTION' 1.627 1.677 4112 . 207 3831 98.2004 . 0.256 . . 0.255 . . . . . 0.236 . 20 . 0.934 0.918 0.269 
'X-RAY DIFFRACTION' 1.677 1.732 3972 . 196 3685 97.7090 . 0.231 . . 0.230 . . . . . 0.207 . 20 . 0.947 0.925 0.262 
'X-RAY DIFFRACTION' 1.732 1.792 3875 . 169 3655 98.6839 . 0.178 . . 0.175 . . . . . 0.155 . 20 . 0.975 0.958 0.224 
'X-RAY DIFFRACTION' 1.792 1.860 3735 . 170 3515 98.6613 . 0.161 . . 0.158 . . . . . 0.138 . 20 . 0.982 0.967 0.215 
'X-RAY DIFFRACTION' 1.860 1.936 3613 . 156 3413 98.7822 . 0.154 . . 0.152 . . . . . 0.131 . 20 . 0.985 0.972 0.195 
'X-RAY DIFFRACTION' 1.936 2.022 3475 . 160 3277 98.9065 . 0.147 . . 0.144 . . . . . 0.124 . 20 . 0.987 0.969 0.209 
'X-RAY DIFFRACTION' 2.022 2.120 3324 . 146 3128 98.4958 . 0.143 . . 0.140 . . . . . 0.122 . 20 . 0.989 0.969 0.229 
'X-RAY DIFFRACTION' 2.120 2.235 3133 . 169 2914 98.4041 . 0.134 . . 0.131 . . . . . 0.116 . 20 . 0.990 0.981 0.181 
'X-RAY DIFFRACTION' 2.235 2.370 2944 . 148 2780 99.4565 . 0.150 . . 0.147 . . . . . 0.132 . 20 . 0.987 0.973 0.197 
'X-RAY DIFFRACTION' 2.370 2.533 2836 . 164 2657 99.4711 . 0.151 . . 0.147 . . . . . 0.135 . 20 . 0.988 0.972 0.208 
'X-RAY DIFFRACTION' 2.533 2.735 2611 . 137 2455 99.2723 . 0.152 . . 0.150 . . . . . 0.140 . 20 . 0.987 0.977 0.198 
'X-RAY DIFFRACTION' 2.735 2.995 2405 . 103 2268 98.5863 . 0.166 . . 0.164 . . . . . 0.156 . 20 . 0.983 0.975 0.214 
'X-RAY DIFFRACTION' 2.995 3.347 2185 . 99  2035 97.6659 . 0.182 . . 0.178 . . . . . 0.177 . 20 . 0.982 0.968 0.255 
'X-RAY DIFFRACTION' 3.347 3.862 1952 . 106 1835 99.4365 . 0.172 . . 0.169 . . . . . 0.175 . 20 . 0.987 0.977 0.219 
'X-RAY DIFFRACTION' 3.862 4.721 1645 . 93  1548 99.7568 . 0.144 . . 0.143 . . . . . 0.160 . 20 . 0.989 0.988 0.165 
'X-RAY DIFFRACTION' 4.721 6.643 1297 . 78  1201 98.6122 . 0.181 . . 0.179 . . . . . 0.203 . 20 . 0.987 0.982 0.215 
'X-RAY DIFFRACTION' 6.643 46.55 763  . 46  706  98.5583 . 0.250 . . 0.248 . . . . . 0.297 . 20 . 0.976 0.959 0.269 
# 
loop_
_struct_ncs_dom.id 
_struct_ncs_dom.pdbx_ens_id 
_struct_ncs_dom.details 
1 1 A 
2 1 B 
3 2 A 
4 2 C 
5 3 B 
6 3 C 
# 
loop_
_struct_ncs_dom_lim.pdbx_ens_id 
_struct_ncs_dom_lim.dom_id 
_struct_ncs_dom_lim.pdbx_component_id 
_struct_ncs_dom_lim.beg_label_asym_id 
_struct_ncs_dom_lim.beg_label_comp_id 
_struct_ncs_dom_lim.beg_label_seq_id 
_struct_ncs_dom_lim.beg_label_alt_id 
_struct_ncs_dom_lim.end_label_asym_id 
_struct_ncs_dom_lim.end_label_comp_id 
_struct_ncs_dom_lim.end_label_seq_id 
_struct_ncs_dom_lim.end_label_alt_id 
_struct_ncs_dom_lim.beg_auth_asym_id 
_struct_ncs_dom_lim.beg_auth_comp_id 
_struct_ncs_dom_lim.beg_auth_seq_id 
_struct_ncs_dom_lim.end_auth_asym_id 
_struct_ncs_dom_lim.end_auth_comp_id 
_struct_ncs_dom_lim.end_auth_seq_id 
_struct_ncs_dom_lim.pdbx_refine_code 
_struct_ncs_dom_lim.selection_details 
1 1 1 A GLY 1 . A GLU 128 . A GLY 13 A GLU 140 ? ? 
1 2 1 B GLY 1 . B GLU 128 . B GLY 13 B GLU 140 ? ? 
2 3 2 A GLY 1 . A GLU 128 . A GLY 13 A GLU 140 ? ? 
2 4 2 C GLY 1 . C GLU 128 . C GLY 13 C GLU 140 ? ? 
3 5 3 B GLY 1 . B GLU 128 . B GLY 13 B GLU 140 ? ? 
3 6 3 C GLY 1 . C GLU 128 . C GLY 13 C GLU 140 ? ? 
# 
loop_
_struct_ncs_ens.id 
_struct_ncs_ens.details 
1 'Local NCS retraints between domains:       1       2' 
2 'Local NCS retraints between domains:       3       4' 
3 'Local NCS retraints between domains:       5       6' 
# 
_struct.entry_id                     9GPY 
_struct.title                        'The FK1 domain of FKBP51 in complex with the macrocyclic SAFit analog 12g/j' 
_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        9GPY 
_struct_keywords.text            'FKBP, Inhibitor, SAFIT, Macrocycle, Complex, ISOMERASE' 
_struct_keywords.pdbx_keywords   ISOMERASE 
# 
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 1 ? 
C N N 1 ? 
D N N 2 ? 
E N N 3 ? 
F N N 2 ? 
G N N 3 ? 
H N N 2 ? 
I N N 3 ? 
J N N 4 ? 
K N N 4 ? 
L N N 4 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    FKBP5_HUMAN 
_struct_ref.pdbx_db_accession          Q13451 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;ATVAEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVA
TMKKGEICHLLCKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE
;
_struct_ref.pdbx_align_begin           16 
# 
loop_
_struct_ref_seq.align_id 
_struct_ref_seq.ref_id 
_struct_ref_seq.pdbx_PDB_id_code 
_struct_ref_seq.pdbx_strand_id 
_struct_ref_seq.seq_align_beg 
_struct_ref_seq.pdbx_seq_align_beg_ins_code 
_struct_ref_seq.seq_align_end 
_struct_ref_seq.pdbx_seq_align_end_ins_code 
_struct_ref_seq.pdbx_db_accession 
_struct_ref_seq.db_align_beg 
_struct_ref_seq.pdbx_db_align_beg_ins_code 
_struct_ref_seq.db_align_end 
_struct_ref_seq.pdbx_db_align_end_ins_code 
_struct_ref_seq.pdbx_auth_seq_align_beg 
_struct_ref_seq.pdbx_auth_seq_align_end 
1 1 9GPY A 4 ? 128 ? Q13451 16 ? 140 ? 16 140 
2 1 9GPY B 4 ? 128 ? Q13451 16 ? 140 ? 16 140 
3 1 9GPY C 4 ? 128 ? Q13451 16 ? 140 ? 16 140 
# 
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 9GPY GLY A 1  ? UNP Q13451 ?   ?   'expression tag'      13  1  
1 9GPY ALA A 2  ? UNP Q13451 ?   ?   'expression tag'      14  2  
1 9GPY PRO A 3  ? UNP Q13451 ?   ?   'expression tag'      15  3  
1 9GPY THR A 7  ? UNP Q13451 ALA 19  'engineered mutation' 19  4  
1 9GPY ALA A 91 ? UNP Q13451 CYS 103 'engineered mutation' 103 5  
1 9GPY ILE A 95 ? UNP Q13451 CYS 107 'engineered mutation' 107 6  
2 9GPY GLY B 1  ? UNP Q13451 ?   ?   'expression tag'      13  7  
2 9GPY ALA B 2  ? UNP Q13451 ?   ?   'expression tag'      14  8  
2 9GPY PRO B 3  ? UNP Q13451 ?   ?   'expression tag'      15  9  
2 9GPY THR B 7  ? UNP Q13451 ALA 19  'engineered mutation' 19  10 
2 9GPY ALA B 91 ? UNP Q13451 CYS 103 'engineered mutation' 103 11 
2 9GPY ILE B 95 ? UNP Q13451 CYS 107 'engineered mutation' 107 12 
3 9GPY GLY C 1  ? UNP Q13451 ?   ?   'expression tag'      13  13 
3 9GPY ALA C 2  ? UNP Q13451 ?   ?   'expression tag'      14  14 
3 9GPY PRO C 3  ? UNP Q13451 ?   ?   'expression tag'      15  15 
3 9GPY THR C 7  ? UNP Q13451 ALA 19  'engineered mutation' 19  16 
3 9GPY ALA C 91 ? UNP Q13451 CYS 103 'engineered mutation' 103 17 
3 9GPY ILE C 95 ? UNP Q13451 CYS 107 'engineered mutation' 107 18 
# 
loop_
_pdbx_struct_assembly.id 
_pdbx_struct_assembly.details 
_pdbx_struct_assembly.method_details 
_pdbx_struct_assembly.oligomeric_details 
_pdbx_struct_assembly.oligomeric_count 
1 author_defined_assembly ? monomeric 1 
2 author_defined_assembly ? monomeric 1 
3 author_defined_assembly ? monomeric 1 
# 
loop_
_pdbx_struct_assembly_gen.assembly_id 
_pdbx_struct_assembly_gen.oper_expression 
_pdbx_struct_assembly_gen.asym_id_list 
1 1 A,D,E,J 
2 1 B,F,G,K 
3 1 C,H,I,L 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   none 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1  AA1 GLY A 1  ? GLY A 10  ? GLY A 13  GLY A 22  1 ? 10 
HELX_P HELX_P2  AA2 HIS A 59 ? ARG A 61  ? HIS A 71  ARG A 73  5 ? 3  
HELX_P HELX_P3  AA3 ILE A 75 ? ALA A 83  ? ILE A 87  ALA A 95  1 ? 9  
HELX_P HELX_P4  AA4 PRO A 97 ? ALA A 100 ? PRO A 109 ALA A 112 5 ? 4  
HELX_P HELX_P5  AA5 ALA B 2  ? GLY B 10  ? ALA B 14  GLY B 22  1 ? 9  
HELX_P HELX_P6  AA6 ILE B 75 ? ALA B 83  ? ILE B 87  ALA B 95  1 ? 9  
HELX_P HELX_P7  AA7 PRO B 97 ? ALA B 100 ? PRO B 109 ALA B 112 5 ? 4  
HELX_P HELX_P8  AA8 ALA C 2  ? GLY C 10  ? ALA C 14  GLY C 22  1 ? 9  
HELX_P HELX_P9  AA9 HIS C 59 ? ARG C 61  ? HIS C 71  ARG C 73  5 ? 3  
HELX_P HELX_P10 AB1 ILE C 75 ? ALA C 83  ? ILE C 87  ALA C 95  1 ? 9  
HELX_P HELX_P11 AB2 PRO C 97 ? ALA C 100 ? PRO C 109 ALA C 112 5 ? 4  
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_mon_prot_cis.pdbx_id 
_struct_mon_prot_cis.label_comp_id 
_struct_mon_prot_cis.label_seq_id 
_struct_mon_prot_cis.label_asym_id 
_struct_mon_prot_cis.label_alt_id 
_struct_mon_prot_cis.pdbx_PDB_ins_code 
_struct_mon_prot_cis.auth_comp_id 
_struct_mon_prot_cis.auth_seq_id 
_struct_mon_prot_cis.auth_asym_id 
_struct_mon_prot_cis.pdbx_label_comp_id_2 
_struct_mon_prot_cis.pdbx_label_seq_id_2 
_struct_mon_prot_cis.pdbx_label_asym_id_2 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2 
_struct_mon_prot_cis.pdbx_auth_comp_id_2 
_struct_mon_prot_cis.pdbx_auth_seq_id_2 
_struct_mon_prot_cis.pdbx_auth_asym_id_2 
_struct_mon_prot_cis.pdbx_PDB_model_num 
_struct_mon_prot_cis.pdbx_omega_angle 
1 LEU 107 A . ? LEU 119 A PRO 108 A ? PRO 120 A 1 -0.88 
2 LEU 107 B . ? LEU 119 B PRO 108 B ? PRO 120 B 1 2.60  
3 LEU 107 C . ? LEU 119 C PRO 108 C ? PRO 120 C 1 0.34  
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 6 ? 
AA2 ? 6 ? 
AA3 ? 6 ? 
AA4 ? 6 ? 
AA5 ? 6 ? 
AA6 ? 6 ? 
# 
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 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
AA2 5 6 ? anti-parallel 
AA3 1 2 ? anti-parallel 
AA3 2 3 ? anti-parallel 
AA3 3 4 ? anti-parallel 
AA3 4 5 ? anti-parallel 
AA3 5 6 ? anti-parallel 
AA4 1 2 ? anti-parallel 
AA4 2 3 ? anti-parallel 
AA4 3 4 ? anti-parallel 
AA4 4 5 ? anti-parallel 
AA4 5 6 ? anti-parallel 
AA5 1 2 ? anti-parallel 
AA5 2 3 ? anti-parallel 
AA5 3 4 ? anti-parallel 
AA5 4 5 ? anti-parallel 
AA5 5 6 ? anti-parallel 
AA6 1 2 ? anti-parallel 
AA6 2 3 ? anti-parallel 
AA6 3 4 ? anti-parallel 
AA6 4 5 ? anti-parallel 
AA6 5 6 ? 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 GLU A 11  ? ASP A 12  ? GLU A 23  ASP A 24  
AA1 2 VAL A 21  ? ARG A 27  ? VAL A 33  ARG A 39  
AA1 3 ILE A 90  ? ILE A 95  ? ILE A 102 ILE A 107 
AA1 4 LEU A 116 ? LYS A 126 ? LEU A 128 LYS A 138 
AA1 5 LYS A 40  ? LEU A 49  ? LYS A 52  LEU A 61  
AA1 6 PHE A 55  ? SER A 57  ? PHE A 67  SER A 69  
AA2 1 GLU A 11  ? ASP A 12  ? GLU A 23  ASP A 24  
AA2 2 VAL A 21  ? ARG A 27  ? VAL A 33  ARG A 39  
AA2 3 ILE A 90  ? ILE A 95  ? ILE A 102 ILE A 107 
AA2 4 LEU A 116 ? LYS A 126 ? LEU A 128 LYS A 138 
AA2 5 LYS A 40  ? LEU A 49  ? LYS A 52  LEU A 61  
AA2 6 PHE A 65  ? SER A 68  ? PHE A 77  SER A 80  
AA3 1 GLU B 11  ? ASP B 12  ? GLU B 23  ASP B 24  
AA3 2 VAL B 21  ? ARG B 27  ? VAL B 33  ARG B 39  
AA3 3 ILE B 90  ? ILE B 95  ? ILE B 102 ILE B 107 
AA3 4 LEU B 116 ? LYS B 126 ? LEU B 128 LYS B 138 
AA3 5 LYS B 40  ? LEU B 49  ? LYS B 52  LEU B 61  
AA3 6 PHE B 55  ? SER B 57  ? PHE B 67  SER B 69  
AA4 1 GLU B 11  ? ASP B 12  ? GLU B 23  ASP B 24  
AA4 2 VAL B 21  ? ARG B 27  ? VAL B 33  ARG B 39  
AA4 3 ILE B 90  ? ILE B 95  ? ILE B 102 ILE B 107 
AA4 4 LEU B 116 ? LYS B 126 ? LEU B 128 LYS B 138 
AA4 5 LYS B 40  ? LEU B 49  ? LYS B 52  LEU B 61  
AA4 6 PHE B 65  ? SER B 68  ? PHE B 77  SER B 80  
AA5 1 GLU C 11  ? ASP C 12  ? GLU C 23  ASP C 24  
AA5 2 VAL C 21  ? ARG C 27  ? VAL C 33  ARG C 39  
AA5 3 ILE C 90  ? ILE C 95  ? ILE C 102 ILE C 107 
AA5 4 LEU C 116 ? LYS C 126 ? LEU C 128 LYS C 138 
AA5 5 LYS C 40  ? LEU C 49  ? LYS C 52  LEU C 61  
AA5 6 PHE C 55  ? SER C 57  ? PHE C 67  SER C 69  
AA6 1 GLU C 11  ? ASP C 12  ? GLU C 23  ASP C 24  
AA6 2 VAL C 21  ? ARG C 27  ? VAL C 33  ARG C 39  
AA6 3 ILE C 90  ? ILE C 95  ? ILE C 102 ILE C 107 
AA6 4 LEU C 116 ? LYS C 126 ? LEU C 128 LYS C 138 
AA6 5 LYS C 40  ? LEU C 49  ? LYS C 52  LEU C 61  
AA6 6 PHE C 65  ? SER C 68  ? PHE C 77  SER C 80  
# 
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 GLU A 11  ? N GLU A 23  O LYS A 23  ? O LYS A 35  
AA1 2 3 N ILE A 24  ? N ILE A 36  O HIS A 92  ? O HIS A 104 
AA1 3 4 N ILE A 95  ? N ILE A 107 O LEU A 116 ? O LEU A 128 
AA1 4 5 O GLU A 121 ? O GLU A 133 N HIS A 44  ? N HIS A 56  
AA1 5 6 N GLY A 47  ? N GLY A 59  O ASP A 56  ? O ASP A 68  
AA2 1 2 N GLU A 11  ? N GLU A 23  O LYS A 23  ? O LYS A 35  
AA2 2 3 N ILE A 24  ? N ILE A 36  O HIS A 92  ? O HIS A 104 
AA2 3 4 N ILE A 95  ? N ILE A 107 O LEU A 116 ? O LEU A 128 
AA2 4 5 O GLU A 121 ? O GLU A 133 N HIS A 44  ? N HIS A 56  
AA2 5 6 N VAL A 41  ? N VAL A 53  O PHE A 67  ? O PHE A 79  
AA3 1 2 N GLU B 11  ? N GLU B 23  O LYS B 23  ? O LYS B 35  
AA3 2 3 N ILE B 24  ? N ILE B 36  O HIS B 92  ? O HIS B 104 
AA3 3 4 N ILE B 95  ? N ILE B 107 O LEU B 116 ? O LEU B 128 
AA3 4 5 O GLU B 121 ? O GLU B 133 N HIS B 44  ? N HIS B 56  
AA3 5 6 N GLY B 47  ? N GLY B 59  O ASP B 56  ? O ASP B 68  
AA4 1 2 N GLU B 11  ? N GLU B 23  O LYS B 23  ? O LYS B 35  
AA4 2 3 N ILE B 24  ? N ILE B 36  O HIS B 92  ? O HIS B 104 
AA4 3 4 N ILE B 95  ? N ILE B 107 O LEU B 116 ? O LEU B 128 
AA4 4 5 O GLU B 121 ? O GLU B 133 N HIS B 44  ? N HIS B 56  
AA4 5 6 N VAL B 41  ? N VAL B 53  O PHE B 67  ? O PHE B 79  
AA5 1 2 N GLU C 11  ? N GLU C 23  O LYS C 23  ? O LYS C 35  
AA5 2 3 N ILE C 24  ? N ILE C 36  O HIS C 92  ? O HIS C 104 
AA5 3 4 N ILE C 95  ? N ILE C 107 O LEU C 116 ? O LEU C 128 
AA5 4 5 O GLU C 121 ? O GLU C 133 N HIS C 44  ? N HIS C 56  
AA5 5 6 N GLY C 47  ? N GLY C 59  O ASP C 56  ? O ASP C 68  
AA6 1 2 N GLU C 11  ? N GLU C 23  O LYS C 23  ? O LYS C 35  
AA6 2 3 N ILE C 24  ? N ILE C 36  O HIS C 92  ? O HIS C 104 
AA6 3 4 N ILE C 95  ? N ILE C 107 O LEU C 116 ? O LEU C 128 
AA6 4 5 O GLU C 121 ? O GLU C 133 N HIS C 44  ? N HIS C 56  
AA6 5 6 N VAL C 41  ? N VAL C 53  O PHE C 67  ? O PHE C 79  
# 
_pdbx_entry_details.entry_id                   9GPY 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_close_contact.id               1 
_pdbx_validate_close_contact.PDB_model_num    1 
_pdbx_validate_close_contact.auth_atom_id_1   HG 
_pdbx_validate_close_contact.auth_asym_id_1   A 
_pdbx_validate_close_contact.auth_comp_id_1   SER 
_pdbx_validate_close_contact.auth_seq_id_1    27 
_pdbx_validate_close_contact.PDB_ins_code_1   ? 
_pdbx_validate_close_contact.label_alt_id_1   ? 
_pdbx_validate_close_contact.auth_atom_id_2   O 
_pdbx_validate_close_contact.auth_asym_id_2   A 
_pdbx_validate_close_contact.auth_comp_id_2   HOH 
_pdbx_validate_close_contact.auth_seq_id_2    301 
_pdbx_validate_close_contact.PDB_ins_code_2   ? 
_pdbx_validate_close_contact.label_alt_id_2   ? 
_pdbx_validate_close_contact.dist             1.55 
# 
_pdbx_validate_symm_contact.id                1 
_pdbx_validate_symm_contact.PDB_model_num     1 
_pdbx_validate_symm_contact.auth_atom_id_1    O 
_pdbx_validate_symm_contact.auth_asym_id_1    B 
_pdbx_validate_symm_contact.auth_comp_id_1    HOH 
_pdbx_validate_symm_contact.auth_seq_id_1     359 
_pdbx_validate_symm_contact.PDB_ins_code_1    ? 
_pdbx_validate_symm_contact.label_alt_id_1    ? 
_pdbx_validate_symm_contact.site_symmetry_1   1_555 
_pdbx_validate_symm_contact.auth_atom_id_2    O 
_pdbx_validate_symm_contact.auth_asym_id_2    B 
_pdbx_validate_symm_contact.auth_comp_id_2    HOH 
_pdbx_validate_symm_contact.auth_seq_id_2     359 
_pdbx_validate_symm_contact.PDB_ins_code_2    ? 
_pdbx_validate_symm_contact.label_alt_id_2    ? 
_pdbx_validate_symm_contact.site_symmetry_2   2_554 
_pdbx_validate_symm_contact.dist              2.06 
# 
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 63  ? ? -109.21 64.81   
2 1 LYS A 65  ? ? -104.26 63.78   
3 1 ALA A 112 ? ? -134.47 -109.93 
4 1 SER A 118 ? ? -155.13 77.94   
5 1 ALA B 112 ? ? -133.35 -110.91 
6 1 ASN C 63  ? ? -109.76 64.93   
7 1 LYS C 65  ? ? -107.60 67.87   
8 1 ALA C 112 ? ? -134.40 -109.70 
9 1 SER C 118 ? ? -153.69 79.08   
# 
loop_
_pdbx_distant_solvent_atoms.id 
_pdbx_distant_solvent_atoms.PDB_model_num 
_pdbx_distant_solvent_atoms.auth_atom_id 
_pdbx_distant_solvent_atoms.label_alt_id 
_pdbx_distant_solvent_atoms.auth_asym_id 
_pdbx_distant_solvent_atoms.auth_comp_id 
_pdbx_distant_solvent_atoms.auth_seq_id 
_pdbx_distant_solvent_atoms.PDB_ins_code 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance 
_pdbx_distant_solvent_atoms.neighbor_ligand_distance 
1 1 O ? B HOH 403 ? 5.92 . 
2 1 O ? B HOH 404 ? 5.98 . 
# 
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 
A1INZ C4   C Y N 1   
A1INZ C14  C N N 2   
A1INZ C5   C Y N 3   
A1INZ C6   C Y N 4   
A1INZ C11  C N N 5   
A1INZ C7   C Y N 6   
A1INZ C8   C N N 7   
A1INZ C9   C N N 8   
A1INZ C10  C N N 9   
A1INZ C12  C Y N 10  
A1INZ C13  C Y N 11  
A1INZ N1   N Y N 12  
A1INZ N2   N Y N 13  
A1INZ C3   C Y N 14  
A1INZ N3   N Y N 15  
A1INZ C1   C N N 16  
A1INZ O1   O N N 17  
A1INZ C2   C Y N 18  
A1INZ O2   O N N 19  
A1INZ O3   O N N 20  
A1INZ C15  C N R 21  
A1INZ C16  C N N 22  
A1INZ C17  C N N 23  
A1INZ O4   O N N 24  
A1INZ C18  C N N 25  
A1INZ O5   O N N 26  
A1INZ C19  C N S 27  
A1INZ C20  C N N 28  
A1INZ C21  C N N 29  
A1INZ C22  C N N 30  
A1INZ C23  C N N 31  
A1INZ N4   N N N 32  
A1INZ C24  C N N 33  
A1INZ O6   O N N 34  
A1INZ C25  C N S 35  
A1INZ C26  C N N 36  
A1INZ C27  C N N 37  
A1INZ C28  C N N 38  
A1INZ C29  C N N 39  
A1INZ C30  C N N 40  
A1INZ C31  C N N 41  
A1INZ H17  H N N 42  
A1INZ H16  H N N 43  
A1INZ H5   H N N 44  
A1INZ H13  H N N 45  
A1INZ H14  H N N 46  
A1INZ H7   H N N 47  
A1INZ H8   H N N 48  
A1INZ H6   H N N 49  
A1INZ H9   H N N 50  
A1INZ H10  H N N 51  
A1INZ H11  H N N 52  
A1INZ H12  H N N 53  
A1INZ H15  H N N 54  
A1INZ H4   H N N 55  
A1INZ H2   H N N 56  
A1INZ H3   H N N 57  
A1INZ H1   H N N 58  
A1INZ H18  H N N 59  
A1INZ H20  H N N 60  
A1INZ H21  H N N 61  
A1INZ H19  H N N 62  
A1INZ H23  H N N 63  
A1INZ H22  H N N 64  
A1INZ H24  H N N 65  
A1INZ H26  H N N 66  
A1INZ H25  H N N 67  
A1INZ H27  H N N 68  
A1INZ H28  H N N 69  
A1INZ H29  H N N 70  
A1INZ H30  H N N 71  
A1INZ H31  H N N 72  
A1INZ H32  H N N 73  
A1INZ H33  H N N 74  
A1INZ H34  H N N 75  
A1INZ H36  H N N 76  
A1INZ H35  H N N 77  
A1INZ H37  H N N 78  
A1INZ H38  H N N 79  
A1INZ H39  H N N 80  
A1INZ H40  H N N 81  
A1INZ H41  H N N 82  
A1INZ H42  H N N 83  
A1INZ H44  H N N 84  
A1INZ H43  H N N 85  
ALA   N    N N N 86  
ALA   CA   C N S 87  
ALA   C    C N N 88  
ALA   O    O N N 89  
ALA   CB   C N N 90  
ALA   OXT  O N N 91  
ALA   H    H N N 92  
ALA   H2   H N N 93  
ALA   HA   H N N 94  
ALA   HB1  H N N 95  
ALA   HB2  H N N 96  
ALA   HB3  H N N 97  
ALA   HXT  H N N 98  
ARG   N    N N N 99  
ARG   CA   C N S 100 
ARG   C    C N N 101 
ARG   O    O N N 102 
ARG   CB   C N N 103 
ARG   CG   C N N 104 
ARG   CD   C N N 105 
ARG   NE   N N N 106 
ARG   CZ   C N N 107 
ARG   NH1  N N N 108 
ARG   NH2  N N N 109 
ARG   OXT  O N N 110 
ARG   H    H N N 111 
ARG   H2   H N N 112 
ARG   HA   H N N 113 
ARG   HB2  H N N 114 
ARG   HB3  H N N 115 
ARG   HG2  H N N 116 
ARG   HG3  H N N 117 
ARG   HD2  H N N 118 
ARG   HD3  H N N 119 
ARG   HE   H N N 120 
ARG   HH11 H N N 121 
ARG   HH12 H N N 122 
ARG   HH21 H N N 123 
ARG   HH22 H N N 124 
ARG   HXT  H N N 125 
ASN   N    N N N 126 
ASN   CA   C N S 127 
ASN   C    C N N 128 
ASN   O    O N N 129 
ASN   CB   C N N 130 
ASN   CG   C N N 131 
ASN   OD1  O N N 132 
ASN   ND2  N N N 133 
ASN   OXT  O N N 134 
ASN   H    H N N 135 
ASN   H2   H N N 136 
ASN   HA   H N N 137 
ASN   HB2  H N N 138 
ASN   HB3  H N N 139 
ASN   HD21 H N N 140 
ASN   HD22 H N N 141 
ASN   HXT  H N N 142 
ASP   N    N N N 143 
ASP   CA   C N S 144 
ASP   C    C N N 145 
ASP   O    O N N 146 
ASP   CB   C N N 147 
ASP   CG   C N N 148 
ASP   OD1  O N N 149 
ASP   OD2  O N N 150 
ASP   OXT  O N N 151 
ASP   H    H N N 152 
ASP   H2   H N N 153 
ASP   HA   H N N 154 
ASP   HB2  H N N 155 
ASP   HB3  H N N 156 
ASP   HD2  H N N 157 
ASP   HXT  H N N 158 
CYS   N    N N N 159 
CYS   CA   C N R 160 
CYS   C    C N N 161 
CYS   O    O N N 162 
CYS   CB   C N N 163 
CYS   SG   S N N 164 
CYS   OXT  O N N 165 
CYS   H    H N N 166 
CYS   H2   H N N 167 
CYS   HA   H N N 168 
CYS   HB2  H N N 169 
CYS   HB3  H N N 170 
CYS   HG   H N N 171 
CYS   HXT  H N N 172 
EDO   C1   C N N 173 
EDO   O1   O N N 174 
EDO   C2   C N N 175 
EDO   O2   O N N 176 
EDO   H11  H N N 177 
EDO   H12  H N N 178 
EDO   HO1  H N N 179 
EDO   H21  H N N 180 
EDO   H22  H N N 181 
EDO   HO2  H N N 182 
GLN   N    N N N 183 
GLN   CA   C N S 184 
GLN   C    C N N 185 
GLN   O    O N N 186 
GLN   CB   C N N 187 
GLN   CG   C N N 188 
GLN   CD   C N N 189 
GLN   OE1  O N N 190 
GLN   NE2  N N N 191 
GLN   OXT  O N N 192 
GLN   H    H N N 193 
GLN   H2   H N N 194 
GLN   HA   H N N 195 
GLN   HB2  H N N 196 
GLN   HB3  H N N 197 
GLN   HG2  H N N 198 
GLN   HG3  H N N 199 
GLN   HE21 H N N 200 
GLN   HE22 H N N 201 
GLN   HXT  H N N 202 
GLU   N    N N N 203 
GLU   CA   C N S 204 
GLU   C    C N N 205 
GLU   O    O N N 206 
GLU   CB   C N N 207 
GLU   CG   C N N 208 
GLU   CD   C N N 209 
GLU   OE1  O N N 210 
GLU   OE2  O N N 211 
GLU   OXT  O N N 212 
GLU   H    H N N 213 
GLU   H2   H N N 214 
GLU   HA   H N N 215 
GLU   HB2  H N N 216 
GLU   HB3  H N N 217 
GLU   HG2  H N N 218 
GLU   HG3  H N N 219 
GLU   HE2  H N N 220 
GLU   HXT  H N N 221 
GLY   N    N N N 222 
GLY   CA   C N N 223 
GLY   C    C N N 224 
GLY   O    O N N 225 
GLY   OXT  O N N 226 
GLY   H    H N N 227 
GLY   H2   H N N 228 
GLY   HA2  H N N 229 
GLY   HA3  H N N 230 
GLY   HXT  H N N 231 
HIS   N    N N N 232 
HIS   CA   C N S 233 
HIS   C    C N N 234 
HIS   O    O N N 235 
HIS   CB   C N N 236 
HIS   CG   C Y N 237 
HIS   ND1  N Y N 238 
HIS   CD2  C Y N 239 
HIS   CE1  C Y N 240 
HIS   NE2  N Y N 241 
HIS   OXT  O N N 242 
HIS   H    H N N 243 
HIS   H2   H N N 244 
HIS   HA   H N N 245 
HIS   HB2  H N N 246 
HIS   HB3  H N N 247 
HIS   HD1  H N N 248 
HIS   HD2  H N N 249 
HIS   HE1  H N N 250 
HIS   HE2  H N N 251 
HIS   HXT  H N N 252 
HOH   O    O N N 253 
HOH   H1   H N N 254 
HOH   H2   H N N 255 
ILE   N    N N N 256 
ILE   CA   C N S 257 
ILE   C    C N N 258 
ILE   O    O N N 259 
ILE   CB   C N S 260 
ILE   CG1  C N N 261 
ILE   CG2  C N N 262 
ILE   CD1  C N N 263 
ILE   OXT  O N N 264 
ILE   H    H N N 265 
ILE   H2   H N N 266 
ILE   HA   H N N 267 
ILE   HB   H N N 268 
ILE   HG12 H N N 269 
ILE   HG13 H N N 270 
ILE   HG21 H N N 271 
ILE   HG22 H N N 272 
ILE   HG23 H N N 273 
ILE   HD11 H N N 274 
ILE   HD12 H N N 275 
ILE   HD13 H N N 276 
ILE   HXT  H N N 277 
LEU   N    N N N 278 
LEU   CA   C N S 279 
LEU   C    C N N 280 
LEU   O    O N N 281 
LEU   CB   C N N 282 
LEU   CG   C N N 283 
LEU   CD1  C N N 284 
LEU   CD2  C N N 285 
LEU   OXT  O N N 286 
LEU   H    H N N 287 
LEU   H2   H N N 288 
LEU   HA   H N N 289 
LEU   HB2  H N N 290 
LEU   HB3  H N N 291 
LEU   HG   H N N 292 
LEU   HD11 H N N 293 
LEU   HD12 H N N 294 
LEU   HD13 H N N 295 
LEU   HD21 H N N 296 
LEU   HD22 H N N 297 
LEU   HD23 H N N 298 
LEU   HXT  H N N 299 
LYS   N    N N N 300 
LYS   CA   C N S 301 
LYS   C    C N N 302 
LYS   O    O N N 303 
LYS   CB   C N N 304 
LYS   CG   C N N 305 
LYS   CD   C N N 306 
LYS   CE   C N N 307 
LYS   NZ   N N N 308 
LYS   OXT  O N N 309 
LYS   H    H N N 310 
LYS   H2   H N N 311 
LYS   HA   H N N 312 
LYS   HB2  H N N 313 
LYS   HB3  H N N 314 
LYS   HG2  H N N 315 
LYS   HG3  H N N 316 
LYS   HD2  H N N 317 
LYS   HD3  H N N 318 
LYS   HE2  H N N 319 
LYS   HE3  H N N 320 
LYS   HZ1  H N N 321 
LYS   HZ2  H N N 322 
LYS   HZ3  H N N 323 
LYS   HXT  H N N 324 
MET   N    N N N 325 
MET   CA   C N S 326 
MET   C    C N N 327 
MET   O    O N N 328 
MET   CB   C N N 329 
MET   CG   C N N 330 
MET   SD   S N N 331 
MET   CE   C N N 332 
MET   OXT  O N N 333 
MET   H    H N N 334 
MET   H2   H N N 335 
MET   HA   H N N 336 
MET   HB2  H N N 337 
MET   HB3  H N N 338 
MET   HG2  H N N 339 
MET   HG3  H N N 340 
MET   HE1  H N N 341 
MET   HE2  H N N 342 
MET   HE3  H N N 343 
MET   HXT  H N N 344 
PHE   N    N N N 345 
PHE   CA   C N S 346 
PHE   C    C N N 347 
PHE   O    O N N 348 
PHE   CB   C N N 349 
PHE   CG   C Y N 350 
PHE   CD1  C Y N 351 
PHE   CD2  C Y N 352 
PHE   CE1  C Y N 353 
PHE   CE2  C Y N 354 
PHE   CZ   C Y N 355 
PHE   OXT  O N N 356 
PHE   H    H N N 357 
PHE   H2   H N N 358 
PHE   HA   H N N 359 
PHE   HB2  H N N 360 
PHE   HB3  H N N 361 
PHE   HD1  H N N 362 
PHE   HD2  H N N 363 
PHE   HE1  H N N 364 
PHE   HE2  H N N 365 
PHE   HZ   H N N 366 
PHE   HXT  H N N 367 
PRO   N    N N N 368 
PRO   CA   C N S 369 
PRO   C    C N N 370 
PRO   O    O N N 371 
PRO   CB   C N N 372 
PRO   CG   C N N 373 
PRO   CD   C N N 374 
PRO   OXT  O N N 375 
PRO   H    H N N 376 
PRO   HA   H N N 377 
PRO   HB2  H N N 378 
PRO   HB3  H N N 379 
PRO   HG2  H N N 380 
PRO   HG3  H N N 381 
PRO   HD2  H N N 382 
PRO   HD3  H N N 383 
PRO   HXT  H N N 384 
SER   N    N N N 385 
SER   CA   C N S 386 
SER   C    C N N 387 
SER   O    O N N 388 
SER   CB   C N N 389 
SER   OG   O N N 390 
SER   OXT  O N N 391 
SER   H    H N N 392 
SER   H2   H N N 393 
SER   HA   H N N 394 
SER   HB2  H N N 395 
SER   HB3  H N N 396 
SER   HG   H N N 397 
SER   HXT  H N N 398 
THR   N    N N N 399 
THR   CA   C N S 400 
THR   C    C N N 401 
THR   O    O N N 402 
THR   CB   C N R 403 
THR   OG1  O N N 404 
THR   CG2  C N N 405 
THR   OXT  O N N 406 
THR   H    H N N 407 
THR   H2   H N N 408 
THR   HA   H N N 409 
THR   HB   H N N 410 
THR   HG1  H N N 411 
THR   HG21 H N N 412 
THR   HG22 H N N 413 
THR   HG23 H N N 414 
THR   HXT  H N N 415 
TRP   N    N N N 416 
TRP   CA   C N S 417 
TRP   C    C N N 418 
TRP   O    O N N 419 
TRP   CB   C N N 420 
TRP   CG   C Y N 421 
TRP   CD1  C Y N 422 
TRP   CD2  C Y N 423 
TRP   NE1  N Y N 424 
TRP   CE2  C Y N 425 
TRP   CE3  C Y N 426 
TRP   CZ2  C Y N 427 
TRP   CZ3  C Y N 428 
TRP   CH2  C Y N 429 
TRP   OXT  O N N 430 
TRP   H    H N N 431 
TRP   H2   H N N 432 
TRP   HA   H N N 433 
TRP   HB2  H N N 434 
TRP   HB3  H N N 435 
TRP   HD1  H N N 436 
TRP   HE1  H N N 437 
TRP   HE3  H N N 438 
TRP   HZ2  H N N 439 
TRP   HZ3  H N N 440 
TRP   HH2  H N N 441 
TRP   HXT  H N N 442 
TYR   N    N N N 443 
TYR   CA   C N S 444 
TYR   C    C N N 445 
TYR   O    O N N 446 
TYR   CB   C N N 447 
TYR   CG   C Y N 448 
TYR   CD1  C Y N 449 
TYR   CD2  C Y N 450 
TYR   CE1  C Y N 451 
TYR   CE2  C Y N 452 
TYR   CZ   C Y N 453 
TYR   OH   O N N 454 
TYR   OXT  O N N 455 
TYR   H    H N N 456 
TYR   H2   H N N 457 
TYR   HA   H N N 458 
TYR   HB2  H N N 459 
TYR   HB3  H N N 460 
TYR   HD1  H N N 461 
TYR   HD2  H N N 462 
TYR   HE1  H N N 463 
TYR   HE2  H N N 464 
TYR   HH   H N N 465 
TYR   HXT  H N N 466 
VAL   N    N N N 467 
VAL   CA   C N S 468 
VAL   C    C N N 469 
VAL   O    O N N 470 
VAL   CB   C N N 471 
VAL   CG1  C N N 472 
VAL   CG2  C N N 473 
VAL   OXT  O N N 474 
VAL   H    H N N 475 
VAL   H2   H N N 476 
VAL   HA   H N N 477 
VAL   HB   H N N 478 
VAL   HG11 H N N 479 
VAL   HG12 H N N 480 
VAL   HG13 H N N 481 
VAL   HG21 H N N 482 
VAL   HG22 H N N 483 
VAL   HG23 H N N 484 
VAL   HXT  H N N 485 
# 
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 
A1INZ C20 C21  sing N N 1   
A1INZ C20 C19  sing N N 2   
A1INZ C28 C27  sing N N 3   
A1INZ C28 C29  sing N N 4   
A1INZ C27 C26  sing N N 5   
A1INZ C21 C22  sing N N 6   
A1INZ C29 C30  sing N N 7   
A1INZ C22 C23  sing N N 8   
A1INZ C19 N4   sing N N 9   
A1INZ C19 C18  sing N N 10  
A1INZ N4  C23  sing N N 11  
A1INZ N4  C24  sing N N 12  
A1INZ O6  C24  doub N N 13  
A1INZ C24 C25  sing N N 14  
A1INZ C26 C25  sing N N 15  
A1INZ C26 C31  sing N N 16  
A1INZ O5  C18  doub N N 17  
A1INZ C18 O4   sing N N 18  
A1INZ C30 C31  sing N N 19  
A1INZ C25 C4   sing N N 20  
A1INZ O4  C17  sing N N 21  
A1INZ C4  C3   doub Y N 22  
A1INZ C4  C5   sing Y N 23  
A1INZ C17 C15  sing N N 24  
A1INZ C3  C2   sing Y N 25  
A1INZ C5  C6   doub Y N 26  
A1INZ C16 C15  sing N N 27  
A1INZ C15 C14  sing N N 28  
A1INZ C1  O1   sing N N 29  
A1INZ C2  O1   sing N N 30  
A1INZ C2  C7   doub Y N 31  
A1INZ C6  C7   sing Y N 32  
A1INZ C6  O3   sing N N 33  
A1INZ C9  O3   sing N N 34  
A1INZ C9  C10  sing N N 35  
A1INZ C7  O2   sing N N 36  
A1INZ C14 C13  sing N N 37  
A1INZ C13 N2   sing Y N 38  
A1INZ C13 C12  doub Y N 39  
A1INZ N2  N3   doub Y N 40  
A1INZ C10 C11  sing N N 41  
A1INZ C12 N1   sing Y N 42  
A1INZ O2  C8   sing N N 43  
A1INZ N3  N1   sing Y N 44  
A1INZ N1  C11  sing N N 45  
A1INZ C14 H17  sing N N 46  
A1INZ C14 H16  sing N N 47  
A1INZ C5  H5   sing N N 48  
A1INZ C11 H13  sing N N 49  
A1INZ C11 H14  sing N N 50  
A1INZ C8  H7   sing N N 51  
A1INZ C8  H8   sing N N 52  
A1INZ C8  H6   sing N N 53  
A1INZ C9  H9   sing N N 54  
A1INZ C9  H10  sing N N 55  
A1INZ C10 H11  sing N N 56  
A1INZ C10 H12  sing N N 57  
A1INZ C12 H15  sing N N 58  
A1INZ C3  H4   sing N N 59  
A1INZ C1  H2   sing N N 60  
A1INZ C1  H3   sing N N 61  
A1INZ C1  H1   sing N N 62  
A1INZ C15 H18  sing N N 63  
A1INZ C16 H20  sing N N 64  
A1INZ C16 H21  sing N N 65  
A1INZ C16 H19  sing N N 66  
A1INZ C17 H23  sing N N 67  
A1INZ C17 H22  sing N N 68  
A1INZ C19 H24  sing N N 69  
A1INZ C20 H26  sing N N 70  
A1INZ C20 H25  sing N N 71  
A1INZ C21 H27  sing N N 72  
A1INZ C21 H28  sing N N 73  
A1INZ C22 H29  sing N N 74  
A1INZ C22 H30  sing N N 75  
A1INZ C23 H31  sing N N 76  
A1INZ C23 H32  sing N N 77  
A1INZ C25 H33  sing N N 78  
A1INZ C26 H34  sing N N 79  
A1INZ C27 H36  sing N N 80  
A1INZ C27 H35  sing N N 81  
A1INZ C28 H37  sing N N 82  
A1INZ C28 H38  sing N N 83  
A1INZ C29 H39  sing N N 84  
A1INZ C29 H40  sing N N 85  
A1INZ C30 H41  sing N N 86  
A1INZ C30 H42  sing N N 87  
A1INZ C31 H44  sing N N 88  
A1INZ C31 H43  sing N N 89  
ALA   N   CA   sing N N 90  
ALA   N   H    sing N N 91  
ALA   N   H2   sing N N 92  
ALA   CA  C    sing N N 93  
ALA   CA  CB   sing N N 94  
ALA   CA  HA   sing N N 95  
ALA   C   O    doub N N 96  
ALA   C   OXT  sing N N 97  
ALA   CB  HB1  sing N N 98  
ALA   CB  HB2  sing N N 99  
ALA   CB  HB3  sing N N 100 
ALA   OXT HXT  sing N N 101 
ARG   N   CA   sing N N 102 
ARG   N   H    sing N N 103 
ARG   N   H2   sing N N 104 
ARG   CA  C    sing N N 105 
ARG   CA  CB   sing N N 106 
ARG   CA  HA   sing N N 107 
ARG   C   O    doub N N 108 
ARG   C   OXT  sing N N 109 
ARG   CB  CG   sing N N 110 
ARG   CB  HB2  sing N N 111 
ARG   CB  HB3  sing N N 112 
ARG   CG  CD   sing N N 113 
ARG   CG  HG2  sing N N 114 
ARG   CG  HG3  sing N N 115 
ARG   CD  NE   sing N N 116 
ARG   CD  HD2  sing N N 117 
ARG   CD  HD3  sing N N 118 
ARG   NE  CZ   sing N N 119 
ARG   NE  HE   sing N N 120 
ARG   CZ  NH1  sing N N 121 
ARG   CZ  NH2  doub N N 122 
ARG   NH1 HH11 sing N N 123 
ARG   NH1 HH12 sing N N 124 
ARG   NH2 HH21 sing N N 125 
ARG   NH2 HH22 sing N N 126 
ARG   OXT HXT  sing N N 127 
ASN   N   CA   sing N N 128 
ASN   N   H    sing N N 129 
ASN   N   H2   sing N N 130 
ASN   CA  C    sing N N 131 
ASN   CA  CB   sing N N 132 
ASN   CA  HA   sing N N 133 
ASN   C   O    doub N N 134 
ASN   C   OXT  sing N N 135 
ASN   CB  CG   sing N N 136 
ASN   CB  HB2  sing N N 137 
ASN   CB  HB3  sing N N 138 
ASN   CG  OD1  doub N N 139 
ASN   CG  ND2  sing N N 140 
ASN   ND2 HD21 sing N N 141 
ASN   ND2 HD22 sing N N 142 
ASN   OXT HXT  sing N N 143 
ASP   N   CA   sing N N 144 
ASP   N   H    sing N N 145 
ASP   N   H2   sing N N 146 
ASP   CA  C    sing N N 147 
ASP   CA  CB   sing N N 148 
ASP   CA  HA   sing N N 149 
ASP   C   O    doub N N 150 
ASP   C   OXT  sing N N 151 
ASP   CB  CG   sing N N 152 
ASP   CB  HB2  sing N N 153 
ASP   CB  HB3  sing N N 154 
ASP   CG  OD1  doub N N 155 
ASP   CG  OD2  sing N N 156 
ASP   OD2 HD2  sing N N 157 
ASP   OXT HXT  sing N N 158 
CYS   N   CA   sing N N 159 
CYS   N   H    sing N N 160 
CYS   N   H2   sing N N 161 
CYS   CA  C    sing N N 162 
CYS   CA  CB   sing N N 163 
CYS   CA  HA   sing N N 164 
CYS   C   O    doub N N 165 
CYS   C   OXT  sing N N 166 
CYS   CB  SG   sing N N 167 
CYS   CB  HB2  sing N N 168 
CYS   CB  HB3  sing N N 169 
CYS   SG  HG   sing N N 170 
CYS   OXT HXT  sing N N 171 
EDO   C1  O1   sing N N 172 
EDO   C1  C2   sing N N 173 
EDO   C1  H11  sing N N 174 
EDO   C1  H12  sing N N 175 
EDO   O1  HO1  sing N N 176 
EDO   C2  O2   sing N N 177 
EDO   C2  H21  sing N N 178 
EDO   C2  H22  sing N N 179 
EDO   O2  HO2  sing N N 180 
GLN   N   CA   sing N N 181 
GLN   N   H    sing N N 182 
GLN   N   H2   sing N N 183 
GLN   CA  C    sing N N 184 
GLN   CA  CB   sing N N 185 
GLN   CA  HA   sing N N 186 
GLN   C   O    doub N N 187 
GLN   C   OXT  sing N N 188 
GLN   CB  CG   sing N N 189 
GLN   CB  HB2  sing N N 190 
GLN   CB  HB3  sing N N 191 
GLN   CG  CD   sing N N 192 
GLN   CG  HG2  sing N N 193 
GLN   CG  HG3  sing N N 194 
GLN   CD  OE1  doub N N 195 
GLN   CD  NE2  sing N N 196 
GLN   NE2 HE21 sing N N 197 
GLN   NE2 HE22 sing N N 198 
GLN   OXT HXT  sing N N 199 
GLU   N   CA   sing N N 200 
GLU   N   H    sing N N 201 
GLU   N   H2   sing N N 202 
GLU   CA  C    sing N N 203 
GLU   CA  CB   sing N N 204 
GLU   CA  HA   sing N N 205 
GLU   C   O    doub N N 206 
GLU   C   OXT  sing N N 207 
GLU   CB  CG   sing N N 208 
GLU   CB  HB2  sing N N 209 
GLU   CB  HB3  sing N N 210 
GLU   CG  CD   sing N N 211 
GLU   CG  HG2  sing N N 212 
GLU   CG  HG3  sing N N 213 
GLU   CD  OE1  doub N N 214 
GLU   CD  OE2  sing N N 215 
GLU   OE2 HE2  sing N N 216 
GLU   OXT HXT  sing N N 217 
GLY   N   CA   sing N N 218 
GLY   N   H    sing N N 219 
GLY   N   H2   sing N N 220 
GLY   CA  C    sing N N 221 
GLY   CA  HA2  sing N N 222 
GLY   CA  HA3  sing N N 223 
GLY   C   O    doub N N 224 
GLY   C   OXT  sing N N 225 
GLY   OXT HXT  sing N N 226 
HIS   N   CA   sing N N 227 
HIS   N   H    sing N N 228 
HIS   N   H2   sing N N 229 
HIS   CA  C    sing N N 230 
HIS   CA  CB   sing N N 231 
HIS   CA  HA   sing N N 232 
HIS   C   O    doub N N 233 
HIS   C   OXT  sing N N 234 
HIS   CB  CG   sing N N 235 
HIS   CB  HB2  sing N N 236 
HIS   CB  HB3  sing N N 237 
HIS   CG  ND1  sing Y N 238 
HIS   CG  CD2  doub Y N 239 
HIS   ND1 CE1  doub Y N 240 
HIS   ND1 HD1  sing N N 241 
HIS   CD2 NE2  sing Y N 242 
HIS   CD2 HD2  sing N N 243 
HIS   CE1 NE2  sing Y N 244 
HIS   CE1 HE1  sing N N 245 
HIS   NE2 HE2  sing N N 246 
HIS   OXT HXT  sing N N 247 
HOH   O   H1   sing N N 248 
HOH   O   H2   sing N N 249 
ILE   N   CA   sing N N 250 
ILE   N   H    sing N N 251 
ILE   N   H2   sing N N 252 
ILE   CA  C    sing N N 253 
ILE   CA  CB   sing N N 254 
ILE   CA  HA   sing N N 255 
ILE   C   O    doub N N 256 
ILE   C   OXT  sing N N 257 
ILE   CB  CG1  sing N N 258 
ILE   CB  CG2  sing N N 259 
ILE   CB  HB   sing N N 260 
ILE   CG1 CD1  sing N N 261 
ILE   CG1 HG12 sing N N 262 
ILE   CG1 HG13 sing N N 263 
ILE   CG2 HG21 sing N N 264 
ILE   CG2 HG22 sing N N 265 
ILE   CG2 HG23 sing N N 266 
ILE   CD1 HD11 sing N N 267 
ILE   CD1 HD12 sing N N 268 
ILE   CD1 HD13 sing N N 269 
ILE   OXT HXT  sing N N 270 
LEU   N   CA   sing N N 271 
LEU   N   H    sing N N 272 
LEU   N   H2   sing N N 273 
LEU   CA  C    sing N N 274 
LEU   CA  CB   sing N N 275 
LEU   CA  HA   sing N N 276 
LEU   C   O    doub N N 277 
LEU   C   OXT  sing N N 278 
LEU   CB  CG   sing N N 279 
LEU   CB  HB2  sing N N 280 
LEU   CB  HB3  sing N N 281 
LEU   CG  CD1  sing N N 282 
LEU   CG  CD2  sing N N 283 
LEU   CG  HG   sing N N 284 
LEU   CD1 HD11 sing N N 285 
LEU   CD1 HD12 sing N N 286 
LEU   CD1 HD13 sing N N 287 
LEU   CD2 HD21 sing N N 288 
LEU   CD2 HD22 sing N N 289 
LEU   CD2 HD23 sing N N 290 
LEU   OXT HXT  sing N N 291 
LYS   N   CA   sing N N 292 
LYS   N   H    sing N N 293 
LYS   N   H2   sing N N 294 
LYS   CA  C    sing N N 295 
LYS   CA  CB   sing N N 296 
LYS   CA  HA   sing N N 297 
LYS   C   O    doub N N 298 
LYS   C   OXT  sing N N 299 
LYS   CB  CG   sing N N 300 
LYS   CB  HB2  sing N N 301 
LYS   CB  HB3  sing N N 302 
LYS   CG  CD   sing N N 303 
LYS   CG  HG2  sing N N 304 
LYS   CG  HG3  sing N N 305 
LYS   CD  CE   sing N N 306 
LYS   CD  HD2  sing N N 307 
LYS   CD  HD3  sing N N 308 
LYS   CE  NZ   sing N N 309 
LYS   CE  HE2  sing N N 310 
LYS   CE  HE3  sing N N 311 
LYS   NZ  HZ1  sing N N 312 
LYS   NZ  HZ2  sing N N 313 
LYS   NZ  HZ3  sing N N 314 
LYS   OXT HXT  sing N N 315 
MET   N   CA   sing N N 316 
MET   N   H    sing N N 317 
MET   N   H2   sing N N 318 
MET   CA  C    sing N N 319 
MET   CA  CB   sing N N 320 
MET   CA  HA   sing N N 321 
MET   C   O    doub N N 322 
MET   C   OXT  sing N N 323 
MET   CB  CG   sing N N 324 
MET   CB  HB2  sing N N 325 
MET   CB  HB3  sing N N 326 
MET   CG  SD   sing N N 327 
MET   CG  HG2  sing N N 328 
MET   CG  HG3  sing N N 329 
MET   SD  CE   sing N N 330 
MET   CE  HE1  sing N N 331 
MET   CE  HE2  sing N N 332 
MET   CE  HE3  sing N N 333 
MET   OXT HXT  sing N N 334 
PHE   N   CA   sing N N 335 
PHE   N   H    sing N N 336 
PHE   N   H2   sing N N 337 
PHE   CA  C    sing N N 338 
PHE   CA  CB   sing N N 339 
PHE   CA  HA   sing N N 340 
PHE   C   O    doub N N 341 
PHE   C   OXT  sing N N 342 
PHE   CB  CG   sing N N 343 
PHE   CB  HB2  sing N N 344 
PHE   CB  HB3  sing N N 345 
PHE   CG  CD1  doub Y N 346 
PHE   CG  CD2  sing Y N 347 
PHE   CD1 CE1  sing Y N 348 
PHE   CD1 HD1  sing N N 349 
PHE   CD2 CE2  doub Y N 350 
PHE   CD2 HD2  sing N N 351 
PHE   CE1 CZ   doub Y N 352 
PHE   CE1 HE1  sing N N 353 
PHE   CE2 CZ   sing Y N 354 
PHE   CE2 HE2  sing N N 355 
PHE   CZ  HZ   sing N N 356 
PHE   OXT HXT  sing N N 357 
PRO   N   CA   sing N N 358 
PRO   N   CD   sing N N 359 
PRO   N   H    sing N N 360 
PRO   CA  C    sing N N 361 
PRO   CA  CB   sing N N 362 
PRO   CA  HA   sing N N 363 
PRO   C   O    doub N N 364 
PRO   C   OXT  sing N N 365 
PRO   CB  CG   sing N N 366 
PRO   CB  HB2  sing N N 367 
PRO   CB  HB3  sing N N 368 
PRO   CG  CD   sing N N 369 
PRO   CG  HG2  sing N N 370 
PRO   CG  HG3  sing N N 371 
PRO   CD  HD2  sing N N 372 
PRO   CD  HD3  sing N N 373 
PRO   OXT HXT  sing N N 374 
SER   N   CA   sing N N 375 
SER   N   H    sing N N 376 
SER   N   H2   sing N N 377 
SER   CA  C    sing N N 378 
SER   CA  CB   sing N N 379 
SER   CA  HA   sing N N 380 
SER   C   O    doub N N 381 
SER   C   OXT  sing N N 382 
SER   CB  OG   sing N N 383 
SER   CB  HB2  sing N N 384 
SER   CB  HB3  sing N N 385 
SER   OG  HG   sing N N 386 
SER   OXT HXT  sing N N 387 
THR   N   CA   sing N N 388 
THR   N   H    sing N N 389 
THR   N   H2   sing N N 390 
THR   CA  C    sing N N 391 
THR   CA  CB   sing N N 392 
THR   CA  HA   sing N N 393 
THR   C   O    doub N N 394 
THR   C   OXT  sing N N 395 
THR   CB  OG1  sing N N 396 
THR   CB  CG2  sing N N 397 
THR   CB  HB   sing N N 398 
THR   OG1 HG1  sing N N 399 
THR   CG2 HG21 sing N N 400 
THR   CG2 HG22 sing N N 401 
THR   CG2 HG23 sing N N 402 
THR   OXT HXT  sing N N 403 
TRP   N   CA   sing N N 404 
TRP   N   H    sing N N 405 
TRP   N   H2   sing N N 406 
TRP   CA  C    sing N N 407 
TRP   CA  CB   sing N N 408 
TRP   CA  HA   sing N N 409 
TRP   C   O    doub N N 410 
TRP   C   OXT  sing N N 411 
TRP   CB  CG   sing N N 412 
TRP   CB  HB2  sing N N 413 
TRP   CB  HB3  sing N N 414 
TRP   CG  CD1  doub Y N 415 
TRP   CG  CD2  sing Y N 416 
TRP   CD1 NE1  sing Y N 417 
TRP   CD1 HD1  sing N N 418 
TRP   CD2 CE2  doub Y N 419 
TRP   CD2 CE3  sing Y N 420 
TRP   NE1 CE2  sing Y N 421 
TRP   NE1 HE1  sing N N 422 
TRP   CE2 CZ2  sing Y N 423 
TRP   CE3 CZ3  doub Y N 424 
TRP   CE3 HE3  sing N N 425 
TRP   CZ2 CH2  doub Y N 426 
TRP   CZ2 HZ2  sing N N 427 
TRP   CZ3 CH2  sing Y N 428 
TRP   CZ3 HZ3  sing N N 429 
TRP   CH2 HH2  sing N N 430 
TRP   OXT HXT  sing N N 431 
TYR   N   CA   sing N N 432 
TYR   N   H    sing N N 433 
TYR   N   H2   sing N N 434 
TYR   CA  C    sing N N 435 
TYR   CA  CB   sing N N 436 
TYR   CA  HA   sing N N 437 
TYR   C   O    doub N N 438 
TYR   C   OXT  sing N N 439 
TYR   CB  CG   sing N N 440 
TYR   CB  HB2  sing N N 441 
TYR   CB  HB3  sing N N 442 
TYR   CG  CD1  doub Y N 443 
TYR   CG  CD2  sing Y N 444 
TYR   CD1 CE1  sing Y N 445 
TYR   CD1 HD1  sing N N 446 
TYR   CD2 CE2  doub Y N 447 
TYR   CD2 HD2  sing N N 448 
TYR   CE1 CZ   doub Y N 449 
TYR   CE1 HE1  sing N N 450 
TYR   CE2 CZ   sing Y N 451 
TYR   CE2 HE2  sing N N 452 
TYR   CZ  OH   sing N N 453 
TYR   OH  HH   sing N N 454 
TYR   OXT HXT  sing N N 455 
VAL   N   CA   sing N N 456 
VAL   N   H    sing N N 457 
VAL   N   H2   sing N N 458 
VAL   CA  C    sing N N 459 
VAL   CA  CB   sing N N 460 
VAL   CA  HA   sing N N 461 
VAL   C   O    doub N N 462 
VAL   C   OXT  sing N N 463 
VAL   CB  CG1  sing N N 464 
VAL   CB  CG2  sing N N 465 
VAL   CB  HB   sing N N 466 
VAL   CG1 HG11 sing N N 467 
VAL   CG1 HG12 sing N N 468 
VAL   CG1 HG13 sing N N 469 
VAL   CG2 HG21 sing N N 470 
VAL   CG2 HG22 sing N N 471 
VAL   CG2 HG23 sing N N 472 
VAL   OXT HXT  sing N N 473 
# 
loop_
_pdbx_audit_support.funding_organization 
_pdbx_audit_support.country 
_pdbx_audit_support.grant_number 
_pdbx_audit_support.ordinal 
'German Federal Ministry for Education and Research' Germany 03VP08671 1 
'German Research Foundation (DFG)'                   Germany 525512762 2 
# 
_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   4tw7 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    9GPY 
_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]   0.011822 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.004599 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.020493 
_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]   0.010740 
_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.pdbx_scat_Z 
_atom_type.pdbx_N_electrons 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
C 6  6  2.3103  20.8439 1.0201 10.2075 1.5888 0.5687  0.8651 51.6512 0.2156   
H 1  1  0.4930  10.5109 0.3229 26.1257 0.1402 3.1424  0.0408 57.7997 0.0030   
N 7  7  12.2220 0.0057  3.1346 9.8933  2.0141 28.9975 1.1672 0.5826  -11.5379 
O 8  8  3.0487  13.2771 2.2870 5.7011  1.5464 0.3239  0.8671 32.9089 0.2508   
S 16 16 6.9054  1.4679  5.2035 22.2151 1.4379 0.2536  1.5863 56.1720 1.0316   
# 
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_site.calc_flag 
ATOM   1    N N    . GLY   A 1 1   ? 5.541  14.757  -5.818  1   29.273 ? 13  GLY   A N    1 ? 
ATOM   2    C CA   . GLY   A 1 1   ? 6.947  14.813  -5.382  1   28.417 ? 13  GLY   A CA   1 ? 
ATOM   3    C C    . GLY   A 1 1   ? 7.647  13.462  -5.489  1   29.104 ? 13  GLY   A C    1 ? 
ATOM   4    O O    . GLY   A 1 1   ? 7.163  12.509  -6.101  1   30.493 ? 13  GLY   A O    1 ? 
ATOM   5    H H1   . GLY   A 1 1   ? 5.161  15.575  -5.745  1   29.56  ? 13  GLY   A H1   1 c 
ATOM   6    H H2   . GLY   A 1 1   ? 5.081  14.172  -5.303  1   29.498 ? 13  GLY   A H2   1 c 
ATOM   7    H H3   . GLY   A 1 1   ? 5.494  14.487  -6.681  1   29.336 ? 13  GLY   A H3   1 c 
ATOM   8    H HA2  . GLY   A 1 1   ? 7.425  15.472  -5.938  1   29.097 ? 13  GLY   A HA2  1 c 
ATOM   9    H HA3  . GLY   A 1 1   ? 6.979  15.126  -4.447  1   28.937 ? 13  GLY   A HA3  1 c 
ATOM   10   N N    . ALA   A 1 2   ? 8.825  13.408  -4.869  1   25.265 ? 14  ALA   A N    1 ? 
ATOM   11   C CA   . ALA   A 1 2   ? 9.652  12.215  -4.881  1   22.133 ? 14  ALA   A CA   1 ? 
ATOM   12   C C    . ALA   A 1 2   ? 8.836  10.977  -4.46   1   21.959 ? 14  ALA   A C    1 ? 
ATOM   13   O O    . ALA   A 1 2   ? 8.928  9.936   -5.111  1   22.504 ? 14  ALA   A O    1 ? 
ATOM   14   C CB   . ALA   A 1 2   ? 10.866 12.458  -4.027  1   22.623 ? 14  ALA   A CB   1 ? 
ATOM   15   H H    . ALA   A 1 2   ? 9.125  14.145  -4.419  1   25.299 ? 14  ALA   A H    1 c 
ATOM   16   H HA   . ALA   A 1 2   ? 9.953  12.07   -5.82   1   22.687 ? 14  ALA   A HA   1 c 
ATOM   17   H HB1  . ALA   A 1 2   ? 11.368 13.21   -4.38   1   22.672 ? 14  ALA   A HB1  1 c 
ATOM   18   H HB2  . ALA   A 1 2   ? 10.595 12.655  -3.116  1   22.514 ? 14  ALA   A HB2  1 c 
ATOM   19   H HB3  . ALA   A 1 2   ? 11.43  11.666  -4.03   1   22.71  ? 14  ALA   A HB3  1 c 
ATOM   20   N N    . PRO   A 1 3   ? 8.063  10.984  -3.343  1   22.836 ? 15  PRO   A N    1 ? 
ATOM   21   C CA   . PRO   A 1 3   ? 7.356  9.767   -2.942  1   23.995 ? 15  PRO   A CA   1 ? 
ATOM   22   C C    . PRO   A 1 3   ? 6.409  9.255   -4.021  1   25.552 ? 15  PRO   A C    1 ? 
ATOM   23   O O    . PRO   A 1 3   ? 6.392  8.064   -4.331  1   25.671 ? 15  PRO   A O    1 ? 
ATOM   24   C CB   . PRO   A 1 3   ? 6.643  10.137  -1.628  1   24.989 ? 15  PRO   A CB   1 ? 
ATOM   25   C CG   . PRO   A 1 3   ? 7.527  11.28   -1.101  1   25.286 ? 15  PRO   A CG   1 ? 
ATOM   26   C CD   . PRO   A 1 3   ? 7.971  12.048  -2.332  1   24.425 ? 15  PRO   A CD   1 ? 
ATOM   27   H HA   . PRO   A 1 3   ? 8.017  9.069   -2.749  1   24.439 ? 15  PRO   A HA   1 c 
ATOM   28   H HB2  . PRO   A 1 3   ? 5.73   10.443  -1.794  1   25.015 ? 15  PRO   A HB2  1 c 
ATOM   29   H HB3  . PRO   A 1 3   ? 6.629  9.383   -1.007  1   25.002 ? 15  PRO   A HB3  1 c 
ATOM   30   H HG2  . PRO   A 1 3   ? 7.02   11.861  -0.498  1   25.216 ? 15  PRO   A HG2  1 c 
ATOM   31   H HG3  . PRO   A 1 3   ? 8.301  10.927  -0.619  1   25.01  ? 15  PRO   A HG3  1 c 
ATOM   32   H HD2  . PRO   A 1 3   ? 7.312  12.721  -2.592  1   24.482 ? 15  PRO   A HD2  1 c 
ATOM   33   H HD3  . PRO   A 1 3   ? 8.834  12.476  -2.191  1   24.21  ? 15  PRO   A HD3  1 c 
ATOM   34   N N    . ALA   A 1 4   ? 5.621  10.176  -4.596  1   27.836 ? 16  ALA   A N    1 ? 
ATOM   35   C CA   . ALA   A 1 4   ? 4.678  9.819   -5.64   1   26.699 ? 16  ALA   A CA   1 ? 
ATOM   36   C C    . ALA   A 1 4   ? 5.387  9.177   -6.837  1   27.102 ? 16  ALA   A C    1 ? 
ATOM   37   O O    . ALA   A 1 4   ? 4.859  8.251   -7.454  1   25.114 ? 16  ALA   A O    1 ? 
ATOM   38   C CB   . ALA   A 1 4   ? 3.869  11.043  -6.052  1   29.289 ? 16  ALA   A CB   1 ? 
ATOM   39   H H    . ALA   A 1 4   ? 5.672  11.047  -4.325  1   27.323 ? 16  ALA   A H    1 c 
ATOM   40   H HA   . ALA   A 1 4   ? 4.052  9.141   -5.261  1   27.758 ? 16  ALA   A HA   1 c 
ATOM   41   H HB1  . ALA   A 1 4   ? 3.38   11.386  -5.286  1   29.088 ? 16  ALA   A HB1  1 c 
ATOM   42   H HB2  . ALA   A 1 4   ? 4.468  11.733  -6.386  1   28.96  ? 16  ALA   A HB2  1 c 
ATOM   43   H HB3  . ALA   A 1 4   ? 3.241  10.799  -6.752  1   29.024 ? 16  ALA   A HB3  1 c 
ATOM   44   N N    . THR   A 1 5   ? 6.57   9.691   -7.192  1   25.95  ? 17  THR   A N    1 ? 
ATOM   45   C CA   . THR   A 1 5   ? 7.298  9.147   -8.333  1   25.97  ? 17  THR   A CA   1 ? 
ATOM   46   C C    . THR   A 1 5   ? 7.685  7.698   -8.042  1   23.595 ? 17  THR   A C    1 ? 
ATOM   47   O O    . THR   A 1 5   ? 7.684  6.843   -8.937  1   25.655 ? 17  THR   A O    1 ? 
ATOM   48   C CB   . THR   A 1 5   ? 8.511  10.018  -8.659  1   27.712 ? 17  THR   A CB   1 ? 
ATOM   49   O OG1  . THR   A 1 5   ? 7.957  11.286  -9.003  1   29.393 ? 17  THR   A OG1  1 ? 
ATOM   50   C CG2  . THR   A 1 5   ? 9.314  9.506   -9.845  1   31.028 ? 17  THR   A CG2  1 ? 
ATOM   51   H H    . THR   A 1 5   ? 6.929  10.39   -6.724  1   26.267 ? 17  THR   A H    1 c 
ATOM   52   H HA   . THR   A 1 5   ? 6.697  9.157   -9.11   1   25.794 ? 17  THR   A HA   1 c 
ATOM   53   H HB   . THR   A 1 5   ? 9.093  10.11   -7.868  1   27.996 ? 17  THR   A HB   1 c 
ATOM   54   H HG1  . THR   A 1 5   ? 7.434  11.2    -9.689  0   29.13  ? 17  THR   A HG1  1 c 
ATOM   55   H HG21 . THR   A 1 5   ? 10.064 10.101  -10.01  1   30.302 ? 17  THR   A HG21 1 c 
ATOM   56   H HG22 . THR   A 1 5   ? 8.746  9.475   -10.633 1   30.423 ? 17  THR   A HG22 1 c 
ATOM   57   H HG23 . THR   A 1 5   ? 9.647  8.614   -9.653  1   30.437 ? 17  THR   A HG23 1 c 
ATOM   58   N N    . VAL   A 1 6   ? 8.069  7.425   -6.796  1   20.048 ? 18  VAL   A N    1 ? 
ATOM   59   C CA   . VAL   A 1 6   ? 8.426  6.06    -6.417  1   18.17  ? 18  VAL   A CA   1 ? 
ATOM   60   C C    . VAL   A 1 6   ? 7.206  5.148   -6.516  1   20.507 ? 18  VAL   A C    1 ? 
ATOM   61   O O    . VAL   A 1 6   ? 7.306  4.049   -7.065  1   22.613 ? 18  VAL   A O    1 ? 
ATOM   62   C CB   . VAL   A 1 6   ? 9.074  5.97    -5.022  1   18.365 ? 18  VAL   A CB   1 ? 
ATOM   63   C CG1  . VAL   A 1 6   ? 9.389  4.531   -4.653  1   19.137 ? 18  VAL   A CG1  1 ? 
ATOM   64   C CG2  . VAL   A 1 6   ? 10.343 6.831   -4.929  1   18.214 ? 18  VAL   A CG2  1 ? 
ATOM   65   H H    . VAL   A 1 6   ? 8.112  8.09    -6.17   1   20.258 ? 18  VAL   A H    1 c 
ATOM   66   H HA   . VAL   A 1 6   ? 9.083  5.741   -7.065  1   18.819 ? 18  VAL   A HA   1 c 
ATOM   67   H HB   . VAL   A 1 6   ? 8.42   6.317   -4.372  1   18.372 ? 18  VAL   A HB   1 c 
ATOM   68   H HG11 . VAL   A 1 6   ? 9.981  4.146   -5.321  1   18.979 ? 18  VAL   A HG11 1 c 
ATOM   69   H HG12 . VAL   A 1 6   ? 8.567  4.016   -4.614  1   19.006 ? 18  VAL   A HG12 1 c 
ATOM   70   H HG13 . VAL   A 1 6   ? 9.825  4.508   -3.784  1   18.871 ? 18  VAL   A HG13 1 c 
ATOM   71   H HG21 . VAL   A 1 6   ? 10.725 6.75    -4.039  1   18.371 ? 18  VAL   A HG21 1 c 
ATOM   72   H HG22 . VAL   A 1 6   ? 10.12  7.76    -5.1    1   18.237 ? 18  VAL   A HG22 1 c 
ATOM   73   H HG23 . VAL   A 1 6   ? 10.99  6.528   -5.587  1   18.245 ? 18  VAL   A HG23 1 c 
ATOM   74   N N    . THR   A 1 7   ? 6.045  5.602   -6.014  1   24.228 ? 19  THR   A N    1 ? 
ATOM   75   C CA   . THR   A 1 7   ? 4.808  4.835   -6.171  1   25.395 ? 19  THR   A CA   1 ? 
ATOM   76   C C    . THR   A 1 7   ? 4.592  4.458   -7.636  1   28.631 ? 19  THR   A C    1 ? 
ATOM   77   O O    . THR   A 1 7   ? 4.296  3.293   -7.942  1   28.923 ? 19  THR   A O    1 ? 
ATOM   78   C CB   . THR   A 1 7   ? 3.611  5.637   -5.658  1   26.444 ? 19  THR   A CB   1 ? 
ATOM   79   O OG1  . THR   A 1 7   ? 3.806  5.735   -4.25   1   27.766 ? 19  THR   A OG1  1 ? 
ATOM   80   C CG2  . THR   A 1 7   ? 2.27   4.989   -5.946  1   26.627 ? 19  THR   A CG2  1 ? 
ATOM   81   H H    . THR   A 1 7   ? 6.023  6.397   -5.563  1   23.634 ? 19  THR   A H    1 c 
ATOM   82   H HA   . THR   A 1 7   ? 4.885  4.012   -5.64   1   25.908 ? 19  THR   A HA   1 c 
ATOM   83   H HB   . THR   A 1 7   ? 3.623  6.541   -6.052  1   26.637 ? 19  THR   A HB   1 c 
ATOM   84   H HG1  . THR   A 1 7   ? 3.827  4.955   -3.901  0   27.81  ? 19  THR   A HG1  1 c 
ATOM   85   H HG21 . THR   A 1 7   ? 1.56   5.529   -5.558  1   26.763 ? 19  THR   A HG21 1 c 
ATOM   86   H HG22 . THR   A 1 7   ? 2.248  4.099   -5.557  1   26.904 ? 19  THR   A HG22 1 c 
ATOM   87   H HG23 . THR   A 1 7   ? 2.136  4.926   -6.907  1   26.756 ? 19  THR   A HG23 1 c 
ATOM   88   N N    . GLU   A 1 8   ? 4.721  5.464   -8.514  1   28.031 ? 20  GLU   A N    1 ? 
ATOM   89   C CA   . GLU   A 1 8   ? 4.314  5.347   -9.904  1   28.969 ? 20  GLU   A CA   1 ? 
ATOM   90   C C    . GLU   A 1 8   ? 5.328  4.503   -10.671 1   31.649 ? 20  GLU   A C    1 ? 
ATOM   91   O O    . GLU   A 1 8   ? 4.91   3.676   -11.475 1   35.868 ? 20  GLU   A O    1 ? 
ATOM   92   C CB   . GLU   A 1 8   ? 4.027  6.699   -10.57  1   28.403 ? 20  GLU   A CB   1 ? 
ATOM   93   H H    . GLU   A 1 8   ? 5.08   6.255   -8.231  1   28.316 ? 20  GLU   A H    1 c 
ATOM   94   H HA   . GLU   A 1 8   ? 3.457  4.85    -9.914  1   29.207 ? 20  GLU   A HA   1 c 
ATOM   95   H HB2  . GLU   A 1 8   ? 4.874  7.136   -10.787 0   28.56  ? 20  GLU   A HB2  1 c 
ATOM   96   H HB3  . GLU   A 1 8   ? 3.052  6.812   -10.628 0   28.56  ? 20  GLU   A HB3  1 c 
ATOM   97   N N    . GLN   A 1 9   ? 6.63   4.704   -10.427 1   27.914 ? 21  GLN   A N    1 ? 
ATOM   98   C CA   . GLN   A 1 9   ? 7.667  4.156   -11.279 1   29.94  ? 21  GLN   A CA   1 ? 
ATOM   99   C C    . GLN   A 1 9   ? 8.677  3.277   -10.525 1   25.047 ? 21  GLN   A C    1 ? 
ATOM   100  O O    . GLN   A 1 9   ? 9.553  2.691   -11.158 1   24.86  ? 21  GLN   A O    1 ? 
ATOM   101  C CB   . GLN   A 1 9   ? 8.491  5.282   -11.895 1   31.664 ? 21  GLN   A CB   1 ? 
ATOM   102  C CG   . GLN   A 1 9   ? 7.745  6.168   -12.873 1   37.133 ? 21  GLN   A CG   1 ? 
ATOM   103  C CD   . GLN   A 1 9   ? 8.64   7.267   -13.394 1   40.777 ? 21  GLN   A CD   1 ? 
ATOM   104  O OE1  . GLN   A 1 9   ? 8.365  8.461   -13.235 1   48.651 ? 21  GLN   A OE1  1 ? 
ATOM   105  N NE2  . GLN   A 1 9   ? 9.75   6.863   -13.987 1   43.56  ? 21  GLN   A NE2  1 ? 
ATOM   106  H H    . GLN   A 1 9   ? 6.876  5.217   -9.712  1   28.822 ? 21  GLN   A H    1 c 
ATOM   107  H HA   . GLN   A 1 9   ? 7.246  3.621   -11.999 1   29.08  ? 21  GLN   A HA   1 c 
ATOM   108  H HB2  . GLN   A 1 9   ? 8.841  5.841   -11.17  1   32.009 ? 21  GLN   A HB2  1 c 
ATOM   109  H HB3  . GLN   A 1 9   ? 9.258  4.885   -12.357 1   31.97  ? 21  GLN   A HB3  1 c 
ATOM   110  H HG2  . GLN   A 1 9   ? 7.421  5.628   -13.626 1   36.548 ? 21  GLN   A HG2  1 c 
ATOM   111  H HG3  . GLN   A 1 9   ? 6.967  6.567   -12.428 1   36.634 ? 21  GLN   A HG3  1 c 
ATOM   112  H HE21 . GLN   A 1 9   ? 10.389 7.451   -14.172 1   42.949 ? 21  GLN   A HE21 1 c 
ATOM   113  H HE22 . GLN   A 1 9   ? 9.857  6.009   -14.207 1   42.75  ? 21  GLN   A HE22 1 c 
ATOM   114  N N    . GLY   A 1 10  ? 8.57   3.187   -9.193  1   20.881 ? 22  GLY   A N    1 ? 
ATOM   115  C CA   . GLY   A 1 10  ? 9.565  2.446   -8.431  1   20.114 ? 22  GLY   A CA   1 ? 
ATOM   116  C C    . GLY   A 1 10  ? 9.504  0.942   -8.678  1   18.596 ? 22  GLY   A C    1 ? 
ATOM   117  O O    . GLY   A 1 10  ? 8.435  0.37    -8.926  1   19.971 ? 22  GLY   A O    1 ? 
ATOM   118  H H    . GLY   A 1 10  ? 7.872  3.581   -8.755  1   21.431 ? 22  GLY   A H    1 c 
ATOM   119  H HA2  . GLY   A 1 10  ? 10.461 2.78    -8.67   1   20.023 ? 22  GLY   A HA2  1 c 
ATOM   120  H HA3  . GLY   A 1 10  ? 9.426  2.622   -7.471  1   19.992 ? 22  GLY   A HA3  1 c 
ATOM   121  N N    . GLU   A 1 11  ? 10.669 0.315   -8.577  1   16.753 ? 23  GLU   A N    1 ? 
ATOM   122  C CA   . GLU   A 1 11  ? 10.772 -1.129  -8.669  1   18.354 ? 23  GLU   A CA   1 ? 
ATOM   123  C C    . GLU   A 1 11  ? 10.45  -1.756  -7.317  1   16.583 ? 23  GLU   A C    1 ? 
ATOM   124  O O    . GLU   A 1 11  ? 10.889 -1.264  -6.276  1   16.244 ? 23  GLU   A O    1 ? 
ATOM   125  C CB   . GLU   A 1 11  ? 12.154 -1.446  -9.209  1   18.208 ? 23  GLU   A CB   1 ? 
ATOM   126  C CG   . GLU   A 1 11  ? 12.558 -2.912  -9.151  1   24.274 ? 23  GLU   A CG   1 ? 
ATOM   127  H H    . GLU   A 1 11  ? 11.43  0.803   -8.441  1   17.259 ? 23  GLU   A H    1 c 
ATOM   128  H HA   . GLU   A 1 11  ? 10.105 -1.445  -9.33   1   17.94  ? 23  GLU   A HA   1 c 
ATOM   129  H HB2  . GLU   A 1 11  ? 12.197 -1.152  -10.143 1   19.001 ? 23  GLU   A HB2  1 c 
ATOM   130  H HB3  . GLU   A 1 11  ? 12.814 -0.926  -8.704  1   18.774 ? 23  GLU   A HB3  1 c 
ATOM   131  H HG2  . GLU   A 1 11  ? 13.553 -2.946  -9.151  0   24.87  ? 23  GLU   A HG2  1 c 
ATOM   132  H HG3  . GLU   A 1 11  ? 11.77  -3.46   -9.126  0   24.87  ? 23  GLU   A HG3  1 c 
ATOM   133  N N    . ASP   A 1 12  ? 9.664  -2.841  -7.357  1   16.847 ? 24  ASP   A N    1 ? 
ATOM   134  C CA   . ASP   A 1 12  ? 9.385  -3.633  -6.174  1   16.587 ? 24  ASP   A CA   1 ? 
ATOM   135  C C    . ASP   A 1 12  ? 10.559 -4.569  -5.883  1   15.854 ? 24  ASP   A C    1 ? 
ATOM   136  O O    . ASP   A 1 12  ? 10.766 -5.552  -6.613  1   18.263 ? 24  ASP   A O    1 ? 
ATOM   137  C CB   . ASP   A 1 12  ? 8.091  -4.411  -6.351  1   17.263 ? 24  ASP   A CB   1 ? 
ATOM   138  C CG   . ASP   A 1 12  ? 7.642  -5.208  -5.152  1   18.087 ? 24  ASP   A CG   1 ? 
ATOM   139  O OD1  . ASP   A 1 12  ? 8.387  -5.194  -4.126  1   21.182 ? 24  ASP   A OD1  1 ? 
ATOM   140  O OD2  . ASP   A 1 12  ? 6.554  -5.819  -5.25   1   19.581 ? 24  ASP   A OD2  1 ? 
ATOM   141  H H    . ASP   A 1 12  ? 9.291  -3.095  -8.152  1   16.729 ? 24  ASP   A H    1 c 
ATOM   142  H HA   . ASP   A 1 12  ? 9.27   -3.023  -5.412  1   16.695 ? 24  ASP   A HA   1 c 
ATOM   143  H HB2  . ASP   A 1 12  ? 7.377  -3.78   -6.581  1   17.332 ? 24  ASP   A HB2  1 c 
ATOM   144  H HB3  . ASP   A 1 12  ? 8.198  -5.029  -7.104  1   17.211 ? 24  ASP   A HB3  1 c 
ATOM   145  N N    . ILE   A 1 13  ? 11.289 -4.281  -4.812  1   14.863 ? 25  ILE   A N    1 ? 
ATOM   146  C CA   . ILE   A 1 13  ? 12.473 -5.041  -4.46   1   14.215 ? 25  ILE   A CA   1 ? 
ATOM   147  C C    . ILE   A 1 13  ? 12.19  -6.044  -3.328  1   15.952 ? 25  ILE   A C    1 ? 
ATOM   148  O O    . ILE   A 1 13  ? 13.131 -6.621  -2.79   1   18.716 ? 25  ILE   A O    1 ? 
ATOM   149  C CB   . ILE   A 1 13  ? 13.646 -4.111  -4.106  1   14.347 ? 25  ILE   A CB   1 ? 
ATOM   150  C CG1  . ILE   A 1 13  ? 13.328 -3.238  -2.885  1   13.729 ? 25  ILE   A CG1  1 ? 
ATOM   151  C CG2  . ILE   A 1 13  ? 14.069 -3.274  -5.31   1   15.8   ? 25  ILE   A CG2  1 ? 
ATOM   152  C CD1  . ILE   A 1 13  ? 14.547 -2.473  -2.345  1   14.376 ? 25  ILE   A CD1  1 ? 
ATOM   153  H H    . ILE   A 1 13  ? 11.035 -3.588  -4.272  1   15.01  ? 25  ILE   A H    1 c 
ATOM   154  H HA   . ILE   A 1 13  ? 12.738 -5.554  -5.246  1   14.358 ? 25  ILE   A HA   1 c 
ATOM   155  H HB   . ILE   A 1 13  ? 14.404 -4.679  -3.866  1   14.342 ? 25  ILE   A HB   1 c 
ATOM   156  H HG12 . ILE   A 1 13  ? 12.634 -2.592  -3.13   1   14.085 ? 25  ILE   A HG12 1 c 
ATOM   157  H HG13 . ILE   A 1 13  ? 12.971 -3.805  -2.172  1   13.995 ? 25  ILE   A HG13 1 c 
ATOM   158  H HG21 . ILE   A 1 13  ? 14.83  -2.718  -5.073  1   15.379 ? 25  ILE   A HG21 1 c 
ATOM   159  H HG22 . ILE   A 1 13  ? 13.331 -2.706  -5.589  1   15.558 ? 25  ILE   A HG22 1 c 
ATOM   160  H HG23 . ILE   A 1 13  ? 14.318 -3.861  -6.044  1   15.62  ? 25  ILE   A HG23 1 c 
ATOM   161  H HD11 . ILE   A 1 13  ? 15.248 -3.106  -2.102  1   14.298 ? 25  ILE   A HD11 1 c 
ATOM   162  H HD12 . ILE   A 1 13  ? 14.286 -1.962  -1.556  1   14.33  ? 25  ILE   A HD12 1 c 
ATOM   163  H HD13 . ILE   A 1 13  ? 14.885 -1.862  -3.027  1   14.265 ? 25  ILE   A HD13 1 c 
ATOM   164  N N    . THR   A 1 14  ? 10.916 -6.243  -2.939  1   17.266 ? 26  THR   A N    1 ? 
ATOM   165  C CA   . THR   A 1 14  ? 10.555 -7.296  -1.998  1   17.833 ? 26  THR   A CA   1 ? 
ATOM   166  C C    . THR   A 1 14  ? 10.608 -8.683  -2.662  1   19.363 ? 26  THR   A C    1 ? 
ATOM   167  O O    . THR   A 1 14  ? 10.321 -8.817  -3.85   1   19.144 ? 26  THR   A O    1 ? 
ATOM   168  C CB   . THR   A 1 14  ? 9.173  -7.061  -1.376  1   19.092 ? 26  THR   A CB   1 ? 
ATOM   169  O OG1  . THR   A 1 14  ? 8.157  -7.219  -2.373  1   21.779 ? 26  THR   A OG1  1 ? 
ATOM   170  C CG2  . THR   A 1 14  ? 9.084  -5.738  -0.637  1   19.672 ? 26  THR   A CG2  1 ? 
ATOM   171  H H    . THR   A 1 14  ? 10.256 -5.707  -3.271  1   17.121 ? 26  THR   A H    1 c 
ATOM   172  H HA   . THR   A 1 14  ? 11.215 -7.281  -1.272  1   18.171 ? 26  THR   A HA   1 c 
ATOM   173  H HB   . THR   A 1 14  ? 9.038  -7.764  -0.697  1   19.424 ? 26  THR   A HB   1 c 
ATOM   174  H HG1  . THR   A 1 14  ? 8.294  -6.65   -3.013  0   21.96  ? 26  THR   A HG1  1 c 
ATOM   175  H HG21 . THR   A 1 14  ? 8.195  -5.635  -0.259  1   19.622 ? 26  THR   A HG21 1 c 
ATOM   176  H HG22 . THR   A 1 14  ? 9.259  -5.009  -1.255  1   19.526 ? 26  THR   A HG22 1 c 
ATOM   177  H HG23 . THR   A 1 14  ? 9.742  -5.72   0.078   1   19.536 ? 26  THR   A HG23 1 c 
ATOM   178  N N    . SER   A 1 15  ? 10.873 -9.718  -1.854  1   21.682 ? 27  SER   A N    1 ? 
ATOM   179  C CA   . SER   A 1 15  ? 10.803 -11.114 -2.282  1   23.386 ? 27  SER   A CA   1 ? 
ATOM   180  C C    . SER   A 1 15  ? 9.363  -11.508 -2.589  1   23.832 ? 27  SER   A C    1 ? 
ATOM   181  O O    . SER   A 1 15  ? 9.106  -12.269 -3.52   1   27.651 ? 27  SER   A O    1 ? 
ATOM   182  C CB   . SER   A 1 15  ? 11.338 -12.06  -1.213  1   24.494 ? 27  SER   A CB   1 ? 
ATOM   183  O OG   . SER   A 1 15  ? 12.665 -11.688 -0.886  1   35.677 ? 27  SER   A OG   1 ? 
ATOM   184  H H    . SER   A 1 15  ? 11.109 -9.545  -0.988  1   21.629 ? 27  SER   A H    1 c 
ATOM   185  H HA   . SER   A 1 15  ? 11.344 -11.221 -3.105  1   23.47  ? 27  SER   A HA   1 c 
ATOM   186  H HB2  . SER   A 1 15  ? 10.775 -12.01  -0.417  1   25.741 ? 27  SER   A HB2  1 c 
ATOM   187  H HB3  . SER   A 1 15  ? 11.324 -12.977 -1.548  1   25.617 ? 27  SER   A HB3  1 c 
ATOM   188  H HG   . SER   A 1 15  ? 12.965 -12.221 -0.306  0   35.36  ? 27  SER   A HG   1 c 
ATOM   189  N N    . LYS   A 1 16  ? 8.439  -11.063 -1.734  1   23.102 ? 28  LYS   A N    1 ? 
ATOM   190  C CA   . LYS   A 1 16  ? 7.046  -11.456 -1.845  1   25.84  ? 28  LYS   A CA   1 ? 
ATOM   191  C C    . LYS   A 1 16  ? 6.343  -10.712 -2.991  1   24.607 ? 28  LYS   A C    1 ? 
ATOM   192  O O    . LYS   A 1 16  ? 5.228  -11.101 -3.366  1   25.786 ? 28  LYS   A O    1 ? 
ATOM   193  C CB   . LYS   A 1 16  ? 6.323  -11.165 -0.523  1   29.152 ? 28  LYS   A CB   1 ? 
ATOM   194  C CG   . LYS   A 1 16  ? 6.568  -12.059 0.689   1   34.439 ? 28  LYS   A CG   1 ? 
ATOM   195  C CD   . LYS   A 1 16  ? 5.597  -11.604 1.794   1   42.676 ? 28  LYS   A CD   1 ? 
ATOM   196  C CE   . LYS   A 1 16  ? 5.291  -12.585 2.903   1   45.684 ? 28  LYS   A CE   1 ? 
ATOM   197  N NZ   . LYS   A 1 16  ? 6.398  -12.655 3.854   1   46.486 ? 28  LYS   A NZ   1 ? 
ATOM   198  H H    . LYS   A 1 16  ? 8.686  -10.5   -1.058  1   23.633 ? 28  LYS   A H    1 c 
ATOM   199  H HA   . LYS   A 1 16  ? 7.007  -12.43  -2.025  1   25.74  ? 28  LYS   A HA   1 c 
ATOM   200  H HB2  . LYS   A 1 16  ? 6.548  -10.247 -0.26   1   29.072 ? 28  LYS   A HB2  1 c 
ATOM   201  H HB3  . LYS   A 1 16  ? 5.36   -11.181 -0.709  1   29.342 ? 28  LYS   A HB3  1 c 
ATOM   202  H HG2  . LYS   A 1 16  ? 6.397  -12.997 0.451   1   34.417 ? 28  LYS   A HG2  1 c 
ATOM   203  H HG3  . LYS   A 1 16  ? 7.497  -11.964 0.991   1   34.105 ? 28  LYS   A HG3  1 c 
ATOM   204  H HD2  . LYS   A 1 16  ? 5.966  -10.789 2.199   1   41.246 ? 28  LYS   A HD2  1 c 
ATOM   205  H HD3  . LYS   A 1 16  ? 4.749  -11.349 1.37    1   41.466 ? 28  LYS   A HD3  1 c 
ATOM   206  H HE2  . LYS   A 1 16  ? 4.485  -12.307 3.373   1   45.422 ? 28  LYS   A HE2  1 c 
ATOM   207  H HE3  . LYS   A 1 16  ? 5.137  -13.47  2.525   1   45.553 ? 28  LYS   A HE3  1 c 
ATOM   208  H HZ1  . LYS   A 1 16  ? 6.534  -11.841 4.229   1   46.391 ? 28  LYS   A HZ1  1 c 
ATOM   209  H HZ2  . LYS   A 1 16  ? 7.153  -12.914 3.425   1   46.342 ? 28  LYS   A HZ2  1 c 
ATOM   210  H HZ3  . LYS   A 1 16  ? 6.205  -13.255 4.505   1   46.628 ? 28  LYS   A HZ3  1 c 
ATOM   211  N N    . LYS   A 1 17  ? 6.981  -9.649  -3.524  1   23.022 ? 29  LYS   A N    1 ? 
ATOM   212  C CA   . LYS   A 1 17  ? 6.432  -8.827  -4.606  1   22.2   ? 29  LYS   A CA   1 ? 
ATOM   213  C C    . LYS   A 1 17  ? 5.073  -8.26   -4.184  1   20.831 ? 29  LYS   A C    1 ? 
ATOM   214  O O    . LYS   A 1 17  ? 4.071  -8.335  -4.92   1   23.719 ? 29  LYS   A O    1 ? 
ATOM   215  C CB   . LYS   A 1 17  ? 6.41   -9.575  -5.952  1   23.57  ? 29  LYS   A CB   1 ? 
ATOM   216  C CG   . LYS   A 1 17  ? 7.786  -9.945  -6.532  1   25.297 ? 29  LYS   A CG   1 ? 
ATOM   217  C CD   . LYS   A 1 17  ? 8.641  -8.756  -6.996  1   28.487 ? 29  LYS   A CD   1 ? 
ATOM   218  C CE   . LYS   A 1 17  ? 10.067 -8.926  -7.439  1   33.625 ? 29  LYS   A CE   1 ? 
ATOM   219  N NZ   . LYS   A 1 17  ? 11.104 -8.434  -6.497  1   34.399 ? 29  LYS   A NZ   1 ? 
ATOM   220  H H    . LYS   A 1 17  ? 7.799  -9.418  -3.189  1   23.216 ? 29  LYS   A H    1 c 
ATOM   221  H HA   . LYS   A 1 17  ? 7.043  -8.059  -4.722  1   22.211 ? 29  LYS   A HA   1 c 
ATOM   222  H HB2  . LYS   A 1 17  ? 5.891  -10.4   -5.843  1   23.815 ? 29  LYS   A HB2  1 c 
ATOM   223  H HB3  . LYS   A 1 17  ? 5.942  -9.017  -6.61   1   23.724 ? 29  LYS   A HB3  1 c 
ATOM   224  H HG2  . LYS   A 1 17  ? 8.284  -10.443 -5.848  1   25.649 ? 29  LYS   A HG2  1 c 
ATOM   225  H HG3  . LYS   A 1 17  ? 7.646  -10.549 -7.294  1   25.514 ? 29  LYS   A HG3  1 c 
ATOM   226  H HD2  . LYS   A 1 17  ? 8.153  -8.332  -7.735  1   28.502 ? 29  LYS   A HD2  1 c 
ATOM   227  H HD3  . LYS   A 1 17  ? 8.638  -8.102  -6.265  1   28.702 ? 29  LYS   A HD3  1 c 
ATOM   228  H HE2  . LYS   A 1 17  ? 10.227 -9.873  -7.598  1   32.796 ? 29  LYS   A HE2  1 c 
ATOM   229  H HE3  . LYS   A 1 17  ? 10.187 -8.466  -8.288  1   32.856 ? 29  LYS   A HE3  1 c 
ATOM   230  H HZ1  . LYS   A 1 17  ? 11.037 -8.88   -5.71   1   34.3   ? 29  LYS   A HZ1  1 c 
ATOM   231  H HZ2  . LYS   A 1 17  ? 10.987 -7.548  -6.348  1   34.135 ? 29  LYS   A HZ2  1 c 
ATOM   232  H HZ3  . LYS   A 1 17  ? 11.927 -8.572  -6.848  1   34.39  ? 29  LYS   A HZ3  1 c 
ATOM   233  N N    . ASP   A 1 18  ? 5.065  -7.667  -2.987  1   20.201 ? 30  ASP   A N    1 ? 
ATOM   234  C CA   . ASP   A 1 18  ? 3.878  -7.087  -2.379  1   21.542 ? 30  ASP   A CA   1 ? 
ATOM   235  C C    . ASP   A 1 18  ? 3.952  -5.555  -2.4    1   20.885 ? 30  ASP   A C    1 ? 
ATOM   236  O O    . ASP   A 1 18  ? 3.175  -4.895  -1.719  1   22.499 ? 30  ASP   A O    1 ? 
ATOM   237  C CB   . ASP   A 1 18  ? 3.706  -7.605  -0.952  1   22.524 ? 30  ASP   A CB   1 ? 
ATOM   238  C CG   . ASP   A 1 18  ? 4.867  -7.319  0.006   1   23.238 ? 30  ASP   A CG   1 ? 
ATOM   239  O OD1  . ASP   A 1 18  ? 5.733  -6.454  -0.327  1   22.468 ? 30  ASP   A OD1  1 ? 
ATOM   240  O OD2  . ASP   A 1 18  ? 4.894  -7.969  1.097   1   25.973 ? 30  ASP   A OD2  1 ? 
ATOM   241  H H    . ASP   A 1 18  ? 5.852  -7.615  -2.525  1   20.722 ? 30  ASP   A H    1 c 
ATOM   242  H HA   . ASP   A 1 18  ? 3.091  -7.369  -2.898  1   21.397 ? 30  ASP   A HA   1 c 
ATOM   243  H HB2  . ASP   A 1 18  ? 2.894  -7.213  -0.569  1   22.535 ? 30  ASP   A HB2  1 c 
ATOM   244  H HB3  . ASP   A 1 18  ? 3.579  -8.576  -0.989  1   22.56  ? 30  ASP   A HB3  1 c 
ATOM   245  N N    . ARG   A 1 19  ? 4.919  -4.985  -3.138  1   19.548 ? 31  ARG   A N    1 ? 
ATOM   246  C CA   . ARG   A 1 19  ? 5.103  -3.548  -3.285  1   17.604 ? 31  ARG   A CA   1 ? 
ATOM   247  C C    . ARG   A 1 19  ? 5.365  -2.882  -1.924  1   16.977 ? 31  ARG   A C    1 ? 
ATOM   248  O O    . ARG   A 1 19  ? 5.171  -1.673  -1.767  1   16.443 ? 31  ARG   A O    1 ? 
ATOM   249  C CB   . ARG   A 1 19  ? 3.94   -2.917  -4.056  1   19.08  ? 31  ARG   A CB   1 ? 
ATOM   250  C CG   . ARG   A 1 19  ? 3.943  -3.319  -5.523  1   19.809 ? 31  ARG   A CG   1 ? 
ATOM   251  C CD   . ARG   A 1 19  ? 2.743  -2.754  -6.248  1   20.373 ? 31  ARG   A CD   1 ? 
ATOM   252  N NE   . ARG   A 1 19  ? 2.68   -1.293  -6.201  1   19.687 ? 31  ARG   A NE   1 ? 
ATOM   253  C CZ   . ARG   A 1 19  ? 3.344  -0.442  -6.939  1   18.485 ? 31  ARG   A CZ   1 ? 
ATOM   254  N NH1  . ARG   A 1 19  ? 4.255  -0.877  -7.772  1   20.929 ? 31  ARG   A NH1  1 ? 
ATOM   255  N NH2  . ARG   A 1 19  ? 3.125  0.835   -6.826  1   21.13  ? 31  ARG   A NH2  1 ? 
ATOM   256  H H    . ARG   A 1 19  ? 5.501  -5.533  -3.579  1   19.407 ? 31  ARG   A H    1 c 
ATOM   257  H HA   . ARG   A 1 19  ? 5.913  -3.412  -3.837  1   17.835 ? 31  ARG   A HA   1 c 
ATOM   258  H HB2  . ARG   A 1 19  ? 3.091  -3.192  -3.65   1   19.101 ? 31  ARG   A HB2  1 c 
ATOM   259  H HB3  . ARG   A 1 19  ? 4.003  -1.94   -3.992  1   18.762 ? 31  ARG   A HB3  1 c 
ATOM   260  H HG2  . ARG   A 1 19  ? 4.763  -2.989  -5.95   1   19.82  ? 31  ARG   A HG2  1 c 
ATOM   261  H HG3  . ARG   A 1 19  ? 3.931  -4.298  -5.594  1   19.873 ? 31  ARG   A HG3  1 c 
ATOM   262  H HD2  . ARG   A 1 19  ? 2.765  -3.045  -7.182  1   20.163 ? 31  ARG   A HD2  1 c 
ATOM   263  H HD3  . ARG   A 1 19  ? 1.932  -3.12   -5.841  1   20.152 ? 31  ARG   A HD3  1 c 
ATOM   264  H HE   . ARG   A 1 19  ? 2.138  -0.949  -5.612  1   19.664 ? 31  ARG   A HE   1 c 
ATOM   265  H HH11 . ARG   A 1 19  ? 4.428  -1.739  -7.845  1   20.465 ? 31  ARG   A HH11 1 c 
ATOM   266  H HH12 . ARG   A 1 19  ? 4.703  -0.299  -8.269  1   20.547 ? 31  ARG   A HH12 1 c 
ATOM   267  H HH21 . ARG   A 1 19  ? 2.527  1.133   -6.248  1   20.787 ? 31  ARG   A HH21 1 c 
ATOM   268  H HH22 . ARG   A 1 19  ? 3.576  1.406   -7.329  1   20.542 ? 31  ARG   A HH22 1 c 
ATOM   269  N N    . GLY   A 1 20  ? 5.895  -3.652  -0.96   1   17.672 ? 32  GLY   A N    1 ? 
ATOM   270  C CA   . GLY   A 1 20  ? 6.14   -3.138  0.393   1   18.196 ? 32  GLY   A CA   1 ? 
ATOM   271  C C    . GLY   A 1 20  ? 7.352  -2.205  0.468   1   16.569 ? 32  GLY   A C    1 ? 
ATOM   272  O O    . GLY   A 1 20  ? 7.482  -1.407  1.403   1   16.711 ? 32  GLY   A O    1 ? 
ATOM   273  H H    . GLY   A 1 20  ? 6.126  -4.516  -1.149  1   17.613 ? 32  GLY   A H    1 c 
ATOM   274  H HA2  . GLY   A 1 20  ? 5.338  -2.654  0.7     1   17.95  ? 32  GLY   A HA2  1 c 
ATOM   275  H HA3  . GLY   A 1 20  ? 6.28   -3.899  0.998   1   17.905 ? 32  GLY   A HA3  1 c 
ATOM   276  N N    . VAL   A 1 21  ? 8.279  -2.391  -0.472  1   14.593 ? 33  VAL   A N    1 ? 
ATOM   277  C CA   . VAL   A 1 21  ? 9.491  -1.597  -0.559  1   14.403 ? 33  VAL   A CA   1 ? 
ATOM   278  C C    . VAL   A 1 21  ? 9.702  -1.313  -2.044  1   14.082 ? 33  VAL   A C    1 ? 
ATOM   279  O O    . VAL   A 1 21  ? 9.961  -2.222  -2.84   1   14.479 ? 33  VAL   A O    1 ? 
ATOM   280  C CB   . VAL   A 1 21  ? 10.723 -2.282  0.067   1   15.201 ? 33  VAL   A CB   1 ? 
ATOM   281  C CG1  . VAL   A 1 21  ? 11.934 -1.365  0.004   1   15.698 ? 33  VAL   A CG1  1 ? 
ATOM   282  C CG2  . VAL   A 1 21  ? 10.457 -2.724  1.503   1   15.709 ? 33  VAL   A CG2  1 ? 
ATOM   283  H H    . VAL   A 1 21  ? 8.151  -3.051  -1.09   1   14.971 ? 33  VAL   A H    1 c 
ATOM   284  H HA   . VAL   A 1 21  ? 9.341  -0.75   -0.097  1   14.511 ? 33  VAL   A HA   1 c 
ATOM   285  H HB   . VAL   A 1 21  ? 10.918 -3.085  -0.47   1   15.247 ? 33  VAL   A HB   1 c 
ATOM   286  H HG11 . VAL   A 1 21  ? 11.74  -0.539  0.479   1   15.559 ? 33  VAL   A HG11 1 c 
ATOM   287  H HG12 . VAL   A 1 21  ? 12.144 -1.163  -0.923  1   15.72  ? 33  VAL   A HG12 1 c 
ATOM   288  H HG13 . VAL   A 1 21  ? 12.695 -1.804  0.419   1   15.575 ? 33  VAL   A HG13 1 c 
ATOM   289  H HG21 . VAL   A 1 21  ? 11.261 -3.128  1.872   1   15.589 ? 33  VAL   A HG21 1 c 
ATOM   290  H HG22 . VAL   A 1 21  ? 9.735  -3.373  1.516   1   15.651 ? 33  VAL   A HG22 1 c 
ATOM   291  H HG23 . VAL   A 1 21  ? 10.208 -1.952  2.04    1   15.625 ? 33  VAL   A HG23 1 c 
ATOM   292  N N    . LEU   A 1 22  ? 9.486  -0.046  -2.41   1   14.043 ? 34  LEU   A N    1 ? 
ATOM   293  C CA   . LEU   A 1 22  ? 9.67   0.378   -3.799  1   13.334 ? 34  LEU   A CA   1 ? 
ATOM   294  C C    . LEU   A 1 22  ? 10.89  1.29    -3.894  1   13.199 ? 34  LEU   A C    1 ? 
ATOM   295  O O    . LEU   A 1 22  ? 11.104 2.111   -3.013  1   13.08  ? 34  LEU   A O    1 ? 
ATOM   296  C CB   . LEU   A 1 22  ? 8.406  1.128   -4.235  1   14.712 ? 34  LEU   A CB   1 ? 
ATOM   297  C CG   . LEU   A 1 22  ? 7.101  0.355   -4.233  1   15.939 ? 34  LEU   A CG   1 ? 
ATOM   298  C CD1  . LEU   A 1 22  ? 5.919  1.27    -4.509  1   17.349 ? 34  LEU   A CD1  1 ? 
ATOM   299  C CD2  . LEU   A 1 22  ? 7.138  -0.755  -5.25   1   17.518 ? 34  LEU   A CD2  1 ? 
ATOM   300  H H    . LEU   A 1 22  ? 9.218  0.569   -1.789  1   14.001 ? 34  LEU   A H    1 c 
ATOM   301  H HA   . LEU   A 1 22  ? 9.803  -0.417  -4.369  1   13.577 ? 34  LEU   A HA   1 c 
ATOM   302  H HB2  . LEU   A 1 22  ? 8.3    1.909   -3.645  1   14.65  ? 34  LEU   A HB2  1 c 
ATOM   303  H HB3  . LEU   A 1 22  ? 8.557  1.472   -5.145  1   14.661 ? 34  LEU   A HB3  1 c 
ATOM   304  H HG   . LEU   A 1 22  ? 6.978  -0.049  -3.336  1   16.059 ? 34  LEU   A HG   1 c 
ATOM   305  H HD11 . LEU   A 1 22  ? 5.874  1.958   -3.824  1   17.095 ? 34  LEU   A HD11 1 c 
ATOM   306  H HD12 . LEU   A 1 22  ? 5.097  0.751   -4.501  1   17.09  ? 34  LEU   A HD12 1 c 
ATOM   307  H HD13 . LEU   A 1 22  ? 6.028  1.688   -5.38   1   17.153 ? 34  LEU   A HD13 1 c 
ATOM   308  H HD21 . LEU   A 1 22  ? 7.846  -1.379  -5.025  1   17.16  ? 34  LEU   A HD21 1 c 
ATOM   309  H HD22 . LEU   A 1 22  ? 7.305  -0.382  -6.133  1   17.237 ? 34  LEU   A HD22 1 c 
ATOM   310  H HD23 . LEU   A 1 22  ? 6.286  -1.222  -5.253  1   17.216 ? 34  LEU   A HD23 1 c 
ATOM   311  N N    . LYS   A 1 23  ? 11.641 1.202   -5.01   1   13.531 ? 35  LYS   A N    1 ? 
ATOM   312  C CA   . LYS   A 1 23  ? 12.927 1.842   -5.143  1   13.446 ? 35  LYS   A CA   1 ? 
ATOM   313  C C    . LYS   A 1 23  ? 13.07  2.517   -6.494  1   13.024 ? 35  LYS   A C    1 ? 
ATOM   314  O O    . LYS   A 1 23  ? 12.813 1.908   -7.547  1   14.681 ? 35  LYS   A O    1 ? 
ATOM   315  C CB   . LYS   A 1 23  ? 14.018 0.779   -5.019  1   12.84  ? 35  LYS   A CB   1 ? 
ATOM   316  C CG   . LYS   A 1 23  ? 15.423 1.323   -5.152  1   12.868 ? 35  LYS   A CG   1 ? 
ATOM   317  C CD   . LYS   A 1 23  ? 16.509 0.258   -5.131  1   13.672 ? 35  LYS   A CD   1 ? 
ATOM   318  C CE   . LYS   A 1 23  ? 17.861 0.892   -5.214  1   13.757 ? 35  LYS   A CE   1 ? 
ATOM   319  N NZ   . LYS   A 1 23  ? 18.969 -0.005  -5.546  1   14.015 ? 35  LYS   A NZ   1 ? 
ATOM   320  H H    . LYS   A 1 23  ? 11.323 0.718   -5.716  1   13.372 ? 35  LYS   A H    1 c 
ATOM   321  H HA   . LYS   A 1 23  ? 13.029 2.511   -4.424  1   13.35  ? 35  LYS   A HA   1 c 
ATOM   322  H HB2  . LYS   A 1 23  ? 13.935 0.338   -4.146  1   12.88  ? 35  LYS   A HB2  1 c 
ATOM   323  H HB3  . LYS   A 1 23  ? 13.88  0.099   -5.712  1   13.007 ? 35  LYS   A HB3  1 c 
ATOM   324  H HG2  . LYS   A 1 23  ? 15.487 1.823   -5.994  1   13.067 ? 35  LYS   A HG2  1 c 
ATOM   325  H HG3  . LYS   A 1 23  ? 15.582 1.954   -4.417  1   13.022 ? 35  LYS   A HG3  1 c 
ATOM   326  H HD2  . LYS   A 1 23  ? 16.443 -0.262  -4.301  1   13.585 ? 35  LYS   A HD2  1 c 
ATOM   327  H HD3  . LYS   A 1 23  ? 16.387 -0.35   -5.892  1   13.545 ? 35  LYS   A HD3  1 c 
ATOM   328  H HE2  . LYS   A 1 23  ? 17.833 1.598   -5.884  1   13.785 ? 35  LYS   A HE2  1 c 
ATOM   329  H HE3  . LYS   A 1 23  ? 18.057 1.312   -4.357  1   13.886 ? 35  LYS   A HE3  1 c 
ATOM   330  H HZ1  . LYS   A 1 23  ? 18.821 -0.388  -6.353  1   13.913 ? 35  LYS   A HZ1  1 c 
ATOM   331  H HZ2  . LYS   A 1 23  ? 19.037 -0.652  -4.916  1   14.032 ? 35  LYS   A HZ2  1 c 
ATOM   332  H HZ3  . LYS   A 1 23  ? 19.744 0.464   -5.575  1   14.023 ? 35  LYS   A HZ3  1 c 
ATOM   333  N N    . ILE   A 1 24  ? 13.606 3.733   -6.447  1   12.353 ? 36  ILE   A N    1 ? 
ATOM   334  C CA   . ILE   A 1 24  ? 14.128 4.39    -7.638  1   14.29  ? 36  ILE   A CA   1 ? 
ATOM   335  C C    . ILE   A 1 24  ? 15.601 4.72    -7.408  1   14.722 ? 36  ILE   A C    1 ? 
ATOM   336  O O    . ILE   A 1 24  ? 15.959 5.33    -6.397  1   15.716 ? 36  ILE   A O    1 ? 
ATOM   337  C CB   . ILE   A 1 24  ? 13.368 5.678   -7.966  1   17.308 ? 36  ILE   A CB   1 ? 
ATOM   338  C CG1  . ILE   A 1 24  ? 11.939 5.359   -8.417  1   20.502 ? 36  ILE   A CG1  1 ? 
ATOM   339  C CG2  . ILE   A 1 24  ? 14.132 6.532   -9.013  1   18.675 ? 36  ILE   A CG2  1 ? 
ATOM   340  C CD1  . ILE   A 1 24  ? 11.154 6.602   -8.795  1   24.606 ? 36  ILE   A CD1  1 ? 
ATOM   341  H H    . ILE   A 1 24  ? 13.649 4.176   -5.648  1   12.732 ? 36  ILE   A H    1 c 
ATOM   342  H HA   . ILE   A 1 24  ? 14.053 3.78    -8.397  1   14.341 ? 36  ILE   A HA   1 c 
ATOM   343  H HB   . ILE   A 1 24  ? 13.306 6.202   -7.142  1   17.157 ? 36  ILE   A HB   1 c 
ATOM   344  H HG12 . ILE   A 1 24  ? 11.975 4.756   -9.188  1   20.358 ? 36  ILE   A HG12 1 c 
ATOM   345  H HG13 . ILE   A 1 24  ? 11.472 4.896   -7.692  1   20.405 ? 36  ILE   A HG13 1 c 
ATOM   346  H HG21 . ILE   A 1 24  ? 13.639 7.35    -9.192  1   18.415 ? 36  ILE   A HG21 1 c 
ATOM   347  H HG22 . ILE   A 1 24  ? 14.228 6.026   -9.837  1   18.436 ? 36  ILE   A HG22 1 c 
ATOM   348  H HG23 . ILE   A 1 24  ? 15.012 6.76    -8.671  1   18.377 ? 36  ILE   A HG23 1 c 
ATOM   349  H HD11 . ILE   A 1 24  ? 11.137 7.222   -8.041  1   23.724 ? 36  ILE   A HD11 1 c 
ATOM   350  H HD12 . ILE   A 1 24  ? 10.241 6.348   -9.024  1   23.627 ? 36  ILE   A HD12 1 c 
ATOM   351  H HD13 . ILE   A 1 24  ? 11.567 7.039   -9.563  1   23.62  ? 36  ILE   A HD13 1 c 
ATOM   352  N N    . VAL   A 1 25  ? 16.427 4.426   -8.415  1   15.715 ? 37  VAL   A N    1 ? 
ATOM   353  C CA   . VAL   A 1 25  ? 17.815 4.849   -8.409  1   15.836 ? 37  VAL   A CA   1 ? 
ATOM   354  C C    . VAL   A 1 25  ? 17.875 6.286   -8.923  1   17.391 ? 37  VAL   A C    1 ? 
ATOM   355  O O    . VAL   A 1 25  ? 17.515 6.539   -10.079 1   19.225 ? 37  VAL   A O    1 ? 
ATOM   356  C CB   . VAL   A 1 25  ? 18.705 3.907   -9.234  1   17.043 ? 37  VAL   A CB   1 ? 
ATOM   357  C CG1  . VAL   A 1 25  ? 20.133 4.44    -9.29   1   17.422 ? 37  VAL   A CG1  1 ? 
ATOM   358  C CG2  . VAL   A 1 25  ? 18.691 2.504   -8.654  1   16.475 ? 37  VAL   A CG2  1 ? 
ATOM   359  H H    . VAL   A 1 25  ? 16.115 3.947   -9.128  1   15.512 ? 37  VAL   A H    1 c 
ATOM   360  H HA   . VAL   A 1 25  ? 18.134 4.837   -7.486  1   16.255 ? 37  VAL   A HA   1 c 
ATOM   361  H HB   . VAL   A 1 25  ? 18.341 3.877   -10.15  1   16.847 ? 37  VAL   A HB   1 c 
ATOM   362  H HG11 . VAL   A 1 25  ? 20.477 4.54    -8.386  1   17.471 ? 37  VAL   A HG11 1 c 
ATOM   363  H HG12 . VAL   A 1 25  ? 20.144 5.303   -9.737  1   17.485 ? 37  VAL   A HG12 1 c 
ATOM   364  H HG13 . VAL   A 1 25  ? 20.693 3.816   -9.781  1   17.471 ? 37  VAL   A HG13 1 c 
ATOM   365  H HG21 . VAL   A 1 25  ? 19.266 1.928   -9.185  1   16.54  ? 37  VAL   A HG21 1 c 
ATOM   366  H HG22 . VAL   A 1 25  ? 17.784 2.155   -8.667  1   16.613 ? 37  VAL   A HG22 1 c 
ATOM   367  H HG23 . VAL   A 1 25  ? 19.016 2.528   -7.738  1   16.62  ? 37  VAL   A HG23 1 c 
ATOM   368  N N    . LYS   A 1 26  ? 18.303 7.202   -8.053  1   15.758 ? 38  LYS   A N    1 ? 
ATOM   369  C CA   . LYS   A 1 26  ? 18.421 8.623   -8.396  1   17.481 ? 38  LYS   A CA   1 ? 
ATOM   370  C C    . LYS   A 1 26  ? 19.802 8.999   -8.918  1   19.095 ? 38  LYS   A C    1 ? 
ATOM   371  O O    . LYS   A 1 26  ? 19.931 9.935   -9.698  1   21.503 ? 38  LYS   A O    1 ? 
ATOM   372  C CB   . LYS   A 1 26  ? 18.093 9.497   -7.188  1   17.479 ? 38  LYS   A CB   1 ? 
ATOM   373  C CG   . LYS   A 1 26  ? 16.645 9.381   -6.753  1   19.902 ? 38  LYS   A CG   1 ? 
ATOM   374  C CD   . LYS   A 1 26  ? 15.556 9.613   -7.802  1   22.099 ? 38  LYS   A CD   1 ? 
ATOM   375  C CE   . LYS   A 1 26  ? 15.623 11.006  -8.314  1   20.569 ? 38  LYS   A CE   1 ? 
ATOM   376  N NZ   . LYS   A 1 26  ? 14.649 11.334  -9.334  1   22.098 ? 38  LYS   A NZ   1 ? 
ATOM   377  H H    . LYS   A 1 26  ? 18.528 6.939   -7.207  1   16.206 ? 38  LYS   A H    1 c 
ATOM   378  H HA   . LYS   A 1 26  ? 17.764 8.823   -9.109  1   17.469 ? 38  LYS   A HA   1 c 
ATOM   379  H HB2  . LYS   A 1 26  ? 18.67  9.237   -6.438  1   17.865 ? 38  LYS   A HB2  1 c 
ATOM   380  H HB3  . LYS   A 1 26  ? 18.284 10.434  -7.406  1   17.865 ? 38  LYS   A HB3  1 c 
ATOM   381  H HG2  . LYS   A 1 26  ? 16.518 8.483   -6.375  1   19.612 ? 38  LYS   A HG2  1 c 
ATOM   382  H HG3  . LYS   A 1 26  ? 16.503 10.019  -6.02   1   19.868 ? 38  LYS   A HG3  1 c 
ATOM   383  H HD2  . LYS   A 1 26  ? 15.67  8.985   -8.547  1   21.264 ? 38  LYS   A HD2  1 c 
ATOM   384  H HD3  . LYS   A 1 26  ? 14.674 9.457   -7.398  1   21.44  ? 38  LYS   A HD3  1 c 
ATOM   385  H HE2  . LYS   A 1 26  ? 15.501 11.618  -7.565  1   21.16  ? 38  LYS   A HE2  1 c 
ATOM   386  H HE3  . LYS   A 1 26  ? 16.511 11.164  -8.681  1   20.989 ? 38  LYS   A HE3  1 c 
ATOM   387  H HZ1  . LYS   A 1 26  ? 13.812 11.219  -9.007  1   21.787 ? 38  LYS   A HZ1  1 c 
ATOM   388  H HZ2  . LYS   A 1 26  ? 14.765 10.795  -10.052 1   21.687 ? 38  LYS   A HZ2  1 c 
ATOM   389  H HZ3  . LYS   A 1 26  ? 14.754 12.197  -9.59   1   21.825 ? 38  LYS   A HZ3  1 c 
ATOM   390  N N    A ARG   A 1 27  ? 20.826 8.269   -8.467  0.5 18.933 ? 39  ARG   A N    1 ? 
ATOM   391  N N    B ARG   A 1 27  ? 20.823 8.264   -8.47   0.5 18.701 ? 39  ARG   A N    1 ? 
ATOM   392  C CA   A ARG   A 1 27  ? 22.165 8.416   -8.998  0.5 19.826 ? 39  ARG   A CA   1 ? 
ATOM   393  C CA   B ARG   A 1 27  ? 22.163 8.415   -8.995  0.5 19.394 ? 39  ARG   A CA   1 ? 
ATOM   394  C C    A ARG   A 1 27  ? 22.828 7.042   -8.99   0.5 17.981 ? 39  ARG   A C    1 ? 
ATOM   395  C C    B ARG   A 1 27  ? 22.829 7.043   -8.989  0.5 17.848 ? 39  ARG   A C    1 ? 
ATOM   396  O O    A ARG   A 1 27  ? 22.861 6.374   -7.964  0.5 16.574 ? 39  ARG   A O    1 ? 
ATOM   397  O O    B ARG   A 1 27  ? 22.862 6.376   -7.964  0.5 16.547 ? 39  ARG   A O    1 ? 
ATOM   398  C CB   A ARG   A 1 27  ? 23.004 9.394   -8.167  0.5 21.168 ? 39  ARG   A CB   1 ? 
ATOM   399  C CB   B ARG   A 1 27  ? 22.987 9.394   -8.154  0.5 19.836 ? 39  ARG   A CB   1 ? 
ATOM   400  C CG   A ARG   A 1 27  ? 24.446 9.483   -8.645  0.5 22.276 ? 39  ARG   A CG   1 ? 
ATOM   401  C CG   B ARG   A 1 27  ? 24.36  9.613   -8.768  0.5 20.24  ? 39  ARG   A CG   1 ? 
ATOM   402  C CD   A ARG   A 1 27  ? 25.312 10.303  -7.669  0.5 23.652 ? 39  ARG   A CD   1 ? 
ATOM   403  C CD   B ARG   A 1 27  ? 25.189 10.589  -7.918  0.5 20.924 ? 39  ARG   A CD   1 ? 
ATOM   404  N NE   A ARG   A 1 27  ? 24.811 11.681  -7.655  0.5 24.855 ? 39  ARG   A NE   1 ? 
ATOM   405  N NE   B ARG   A 1 27  ? 25.799 9.923   -6.762  0.5 20.476 ? 39  ARG   A NE   1 ? 
ATOM   406  C CZ   A ARG   A 1 27  ? 25.044 12.626  -6.747  0.5 25.197 ? 39  ARG   A CZ   1 ? 
ATOM   407  C CZ   B ARG   A 1 27  ? 26.237 10.569  -5.692  0.5 20.446 ? 39  ARG   A CZ   1 ? 
ATOM   408  N NH1  A ARG   A 1 27  ? 25.887 12.387  -5.757  0.5 24.136 ? 39  ARG   A NH1  1 ? 
ATOM   409  N NH1  B ARG   A 1 27  ? 26.753 9.898   -4.677  0.5 15.575 ? 39  ARG   A NH1  1 ? 
ATOM   410  N NH2  A ARG   A 1 27  ? 24.484 13.837  -6.884  0.5 27.23  ? 39  ARG   A NH2  1 ? 
ATOM   411  N NH2  B ARG   A 1 27  ? 26.122 11.892  -5.648  0.5 22.64  ? 39  ARG   A NH2  1 ? 
ATOM   412  H H    A ARG   A 1 27  ? 20.684 7.662   -7.799  0.5 19.215 ? 39  ARG   A H    1 c 
ATOM   413  H H    B ARG   A 1 27  ? 20.678 7.649   -7.809  0.5 19.003 ? 39  ARG   A H    1 c 
ATOM   414  H HA   A ARG   A 1 27  ? 22.106 8.74    -9.933  0.5 19.707 ? 39  ARG   A HA   1 c 
ATOM   415  H HA   B ARG   A 1 27  ? 22.107 8.743   -9.929  0.5 19.239 ? 39  ARG   A HA   1 c 
ATOM   416  H HB2  A ARG   A 1 27  ? 22.596 10.285  -8.213  0.5 21.242 ? 39  ARG   A HB2  1 c 
ATOM   417  H HB2  B ARG   A 1 27  ? 22.517 10.253  -8.096  0.5 19.927 ? 39  ARG   A HB2  1 c 
ATOM   418  H HB3  A ARG   A 1 27  ? 22.996 9.107   -7.229  0.5 21.255 ? 39  ARG   A HB3  1 c 
ATOM   419  H HB3  B ARG   A 1 27  ? 23.09  9.039   -7.245  0.5 19.937 ? 39  ARG   A HB3  1 c 
ATOM   420  H HG2  A ARG   A 1 27  ? 24.82  8.579   -8.728  0.5 22.494 ? 39  ARG   A HG2  1 c 
ATOM   421  H HG2  B ARG   A 1 27  ? 24.833 8.754   -8.827  0.5 20.405 ? 39  ARG   A HG2  1 c 
ATOM   422  H HG3  A ARG   A 1 27  ? 24.47  9.907   -9.531  0.5 22.423 ? 39  ARG   A HG3  1 c 
ATOM   423  H HG3  B ARG   A 1 27  ? 24.261 9.976   -9.674  0.5 20.331 ? 39  ARG   A HG3  1 c 
ATOM   424  H HD2  A ARG   A 1 27  ? 25.258 9.922   -6.769  0.5 23.843 ? 39  ARG   A HD2  1 c 
ATOM   425  H HD2  B ARG   A 1 27  ? 25.893 10.983  -8.473  0.5 20.809 ? 39  ARG   A HD2  1 c 
ATOM   426  H HD3  A ARG   A 1 27  ? 26.248 10.293  -7.956  0.5 23.801 ? 39  ARG   A HD3  1 c 
ATOM   427  H HD3  B ARG   A 1 27  ? 24.611 11.314  -7.605  0.5 20.783 ? 39  ARG   A HD3  1 c 
ATOM   428  H HE   A ARG   A 1 27  ? 24.301 11.916  -8.32   0.5 25.227 ? 39  ARG   A HE   1 c 
ATOM   429  H HE   B ARG   A 1 27  ? 25.879 9.056   -6.778  0.5 20.794 ? 39  ARG   A HE   1 c 
ATOM   430  H HH11 A ARG   A 1 27  ? 26.295 11.605  -5.708  0.5 25.108 ? 39  ARG   A HH11 1 c 
ATOM   431  H HH11 B ARG   A 1 27  ? 26.816 9.019   -4.72   0.5 16.325 ? 39  ARG   A HH11 1 c 
ATOM   432  H HH12 A ARG   A 1 27  ? 26.037 13.01   -5.147  0.5 24.883 ? 39  ARG   A HH12 1 c 
ATOM   433  H HH12 B ARG   A 1 27  ? 27.034 10.334  -3.961  0.5 16.415 ? 39  ARG   A HH12 1 c 
ATOM   434  H HH21 A ARG   A 1 27  ? 23.973 14.007  -7.584  0.5 27.298 ? 39  ARG   A HH21 1 c 
ATOM   435  H HH21 B ARG   A 1 27  ? 25.764 12.325  -6.33   0.5 22.248 ? 39  ARG   A HH21 1 c 
ATOM   436  H HH22 A ARG   A 1 27  ? 24.629 14.458  -6.272  0.5 26.978 ? 39  ARG   A HH22 1 c 
ATOM   437  H HH22 B ARG   A 1 27  ? 26.405 12.333  -4.936  0.5 22.29  ? 39  ARG   A HH22 1 c 
ATOM   438  N N    . VAL   A 1 28  ? 23.339 6.637   -10.155 1   17.837 ? 40  VAL   A N    1 ? 
ATOM   439  C CA   . VAL   A 1 28  ? 23.97  5.336   -10.312 1   18.411 ? 40  VAL   A CA   1 ? 
ATOM   440  C C    . VAL   A 1 28  ? 25.317 5.333   -9.594  1   18.457 ? 40  VAL   A C    1 ? 
ATOM   441  O O    . VAL   A 1 28  ? 26.003 6.324   -9.617  1   19.267 ? 40  VAL   A O    1 ? 
ATOM   442  C CB   . VAL   A 1 28  ? 24.103 5.041   -11.822 1   21.111 ? 40  VAL   A CB   1 ? 
ATOM   443  C CG1  . VAL   A 1 28  ? 24.862 3.752   -12.051 1   22.92  ? 40  VAL   A CG1  1 ? 
ATOM   444  C CG2  . VAL   A 1 28  ? 22.72  4.913   -12.453 1   21.654 ? 40  VAL   A CG2  1 ? 
ATOM   445  H H    A VAL   A 1 28  ? 23.298 7.196   -10.877 0.5 18.112 ? 40  VAL   A H    1 c 
ATOM   446  H H    B VAL   A 1 28  ? 23.296 7.195   -10.877 0.5 18.076 ? 40  VAL   A H    1 c 
ATOM   447  H HA   . VAL   A 1 28  ? 23.394 4.658   -9.909  1   18.673 ? 40  VAL   A HA   1 c 
ATOM   448  H HB   . VAL   A 1 28  ? 24.59  5.789   -12.241 1   21.412 ? 40  VAL   A HB   1 c 
ATOM   449  H HG11 . VAL   A 1 28  ? 24.409 3.023   -11.595 1   22.712 ? 40  VAL   A HG11 1 c 
ATOM   450  H HG12 . VAL   A 1 28  ? 25.765 3.838   -11.704 1   22.737 ? 40  VAL   A HG12 1 c 
ATOM   451  H HG13 . VAL   A 1 28  ? 24.9   3.563   -13.003 1   22.614 ? 40  VAL   A HG13 1 c 
ATOM   452  H HG21 . VAL   A 1 28  ? 22.812 4.707   -13.399 1   21.693 ? 40  VAL   A HG21 1 c 
ATOM   453  H HG22 . VAL   A 1 28  ? 22.235 5.749   -12.352 1   21.78  ? 40  VAL   A HG22 1 c 
ATOM   454  H HG23 . VAL   A 1 28  ? 22.227 4.199   -12.014 1   21.823 ? 40  VAL   A HG23 1 c 
ATOM   455  N N    . GLY   A 1 29  ? 25.634 4.245   -8.876  1   18.184 ? 41  GLY   A N    1 ? 
ATOM   456  C CA   . GLY   A 1 29  ? 26.896 4.128   -8.171  1   17.01  ? 41  GLY   A CA   1 ? 
ATOM   457  C C    . GLY   A 1 29  ? 28.011 3.532   -9.032  1   18.893 ? 41  GLY   A C    1 ? 
ATOM   458  O O    . GLY   A 1 29  ? 27.901 3.45    -10.267 1   23.238 ? 41  GLY   A O    1 ? 
ATOM   459  H H    . GLY   A 1 29  ? 25.04  3.552   -8.829  1   18.204 ? 41  GLY   A H    1 c 
ATOM   460  H HA2  . GLY   A 1 29  ? 27.171 5.021   -7.855  1   17.636 ? 41  GLY   A HA2  1 c 
ATOM   461  H HA3  . GLY   A 1 29  ? 26.761 3.559   -7.377  1   17.605 ? 41  GLY   A HA3  1 c 
ATOM   462  N N    . ASN   A 1 30  ? 29.067 3.084   -8.348  1   18.46  ? 42  ASN   A N    1 ? 
ATOM   463  C CA   . ASN   A 1 30  ? 30.312 2.677   -8.978  1   22.186 ? 42  ASN   A CA   1 ? 
ATOM   464  C C    . ASN   A 1 30  ? 30.464 1.169   -8.907  1   23.339 ? 42  ASN   A C    1 ? 
ATOM   465  O O    . ASN   A 1 30  ? 30.025 0.558   -7.94   1   25.64  ? 42  ASN   A O    1 ? 
ATOM   466  C CB   . ASN   A 1 30  ? 31.524 3.256   -8.259  1   26.6   ? 42  ASN   A CB   1 ? 
ATOM   467  C CG   . ASN   A 1 30  ? 31.393 4.744   -8.138  1   31.141 ? 42  ASN   A CG   1 ? 
ATOM   468  O OD1  . ASN   A 1 30  ? 31.525 5.292   -7.036  1   40.899 ? 42  ASN   A OD1  1 ? 
ATOM   469  N ND2  . ASN   A 1 30  ? 31.166 5.401   -9.266  1   37.067 ? 42  ASN   A ND2  1 ? 
ATOM   470  H H    . ASN   A 1 30  ? 29.008 3.03    -7.438  1   19.042 ? 42  ASN   A H    1 c 
ATOM   471  H HA   . ASN   A 1 30  ? 30.325 2.975   -9.916  1   22.318 ? 42  ASN   A HA   1 c 
ATOM   472  H HB2  . ASN   A 1 30  ? 31.597 2.86    -7.368  1   26.445 ? 42  ASN   A HB2  1 c 
ATOM   473  H HB3  . ASN   A 1 30  ? 32.335 3.04    -8.761  1   25.994 ? 42  ASN   A HB3  1 c 
ATOM   474  H HD21 . ASN   A 1 30  ? 30.867 6.238   -9.234  1   35.561 ? 42  ASN   A HD21 1 c 
ATOM   475  H HD22 . ASN   A 1 30  ? 31.315 5.012   -10.05  1   35.555 ? 42  ASN   A HD22 1 c 
ATOM   476  N N    . GLY   A 1 31  ? 31.083 0.588   -9.943  1   25.301 ? 43  GLY   A N    1 ? 
ATOM   477  C CA   . GLY   A 1 31  ? 31.383 -0.83   -9.892  1   27.554 ? 43  GLY   A CA   1 ? 
ATOM   478  C C    . GLY   A 1 31  ? 30.119 -1.684  -9.965  1   28.847 ? 43  GLY   A C    1 ? 
ATOM   479  O O    . GLY   A 1 31  ? 29.076 -1.219  -10.457 1   31.908 ? 43  GLY   A O    1 ? 
ATOM   480  H H    . GLY   A 1 31  ? 31.321 1.075   -10.678 1   24.931 ? 43  GLY   A H    1 c 
ATOM   481  H HA2  . GLY   A 1 31  ? 31.979 -1.06   -10.643 1   26.845 ? 43  GLY   A HA2  1 c 
ATOM   482  H HA3  . GLY   A 1 31  ? 31.864 -1.026  -9.054  1   27.263 ? 43  GLY   A HA3  1 c 
ATOM   483  N N    . GLU   A 1 32  ? 30.233 -2.932  -9.49   1   25.577 ? 44  GLU   A N    1 ? 
ATOM   484  C CA   . GLU   A 1 32  ? 29.138 -3.885  -9.472  1   23.896 ? 44  GLU   A CA   1 ? 
ATOM   485  C C    . GLU   A 1 32  ? 28.815 -4.312  -8.031  1   20.492 ? 44  GLU   A C    1 ? 
ATOM   486  O O    . GLU   A 1 32  ? 27.688 -4.694  -7.742  1   23.568 ? 44  GLU   A O    1 ? 
ATOM   487  C CB   . GLU   A 1 32  ? 29.509 -5.122  -10.293 1   26.765 ? 44  GLU   A CB   1 ? 
ATOM   488  H H    . GLU   A 1 32  ? 31.048 -3.205  -9.179  1   25.74  ? 44  GLU   A H    1 c 
ATOM   489  H HA   . GLU   A 1 32  ? 28.339 -3.46   -9.869  1   24.032 ? 44  GLU   A HA   1 c 
ATOM   490  H HB2  . GLU   A 1 32  ? 30.451 -5.197  -10.359 0   27.06  ? 44  GLU   A HB2  1 c 
ATOM   491  H HB3  . GLU   A 1 32  ? 28.644 -5.548  -10.596 0   27.06  ? 44  GLU   A HB3  1 c 
ATOM   492  N N    . GLU   A 1 33  ? 29.786 -4.243  -7.118  1   19.702 ? 45  GLU   A N    1 ? 
ATOM   493  C CA   . GLU   A 1 33  ? 29.641 -4.812  -5.782  1   16.187 ? 45  GLU   A CA   1 ? 
ATOM   494  C C    . GLU   A 1 33  ? 28.559 -4.107  -4.966  1   14.515 ? 45  GLU   A C    1 ? 
ATOM   495  O O    . GLU   A 1 33  ? 28.436 -2.873  -4.972  1   14.609 ? 45  GLU   A O    1 ? 
ATOM   496  C CB   . GLU   A 1 33  ? 30.963 -4.805  -5      1   20.782 ? 45  GLU   A CB   1 ? 
ATOM   497  H H    . GLU   A 1 33  ? 30.57  -3.825  -7.33   1   19.113 ? 45  GLU   A H    1 c 
ATOM   498  H HA   . GLU   A 1 33  ? 29.371 -5.759  -5.892  1   16.745 ? 45  GLU   A HA   1 c 
ATOM   499  H HB2  . GLU   A 1 33  ? 31.706 -4.805  -5.645  0   21.18  ? 45  GLU   A HB2  1 c 
ATOM   500  H HB3  . GLU   A 1 33  ? 30.765 -4.768  -4.045  0   21.18  ? 45  GLU   A HB3  1 c 
ATOM   501  N N    . THR   A 1 34  ? 27.779 -4.93   -4.258  1   15.628 ? 46  THR   A N    1 ? 
ATOM   502  C CA   . THR   A 1 34  ? 26.801 -4.469  -3.29   1   13.049 ? 46  THR   A CA   1 ? 
ATOM   503  C C    . THR   A 1 34  ? 27.043 -5.223  -1.977  1   13.345 ? 46  THR   A C    1 ? 
ATOM   504  O O    . THR   A 1 34  ? 27.648 -6.295  -1.965  1   13.981 ? 46  THR   A O    1 ? 
ATOM   505  C CB   . THR   A 1 34  ? 25.372 -4.697  -3.794  1   14.097 ? 46  THR   A CB   1 ? 
ATOM   506  O OG1  . THR   A 1 34  ? 25.138 -6.094  -3.961  1   13.944 ? 46  THR   A OG1  1 ? 
ATOM   507  C CG2  . THR   A 1 34  ? 25.101 -4.013  -5.123  1   14.486 ? 46  THR   A CG2  1 ? 
ATOM   508  H H    . THR   A 1 34  ? 27.864 -5.831  -4.385  1   14.959 ? 46  THR   A H    1 c 
ATOM   509  H HA   . THR   A 1 34  ? 26.934 -3.509  -3.138  1   13.465 ? 46  THR   A HA   1 c 
ATOM   510  H HB   . THR   A 1 34  ? 24.735 -4.345  -3.128  1   14.056 ? 46  THR   A HB   1 c 
ATOM   511  H HG1  . THR   A 1 34  ? 25.694 -6.406  -4.543  0   14.2   ? 46  THR   A HG1  1 c 
ATOM   512  H HG21 . THR   A 1 34  ? 24.176 -4.164  -5.383  1   14.305 ? 46  THR   A HG21 1 c 
ATOM   513  H HG22 . THR   A 1 34  ? 25.691 -4.378  -5.803  1   14.486 ? 46  THR   A HG22 1 c 
ATOM   514  H HG23 . THR   A 1 34  ? 25.26  -3.059  -5.036  1   14.44  ? 46  THR   A HG23 1 c 
ATOM   515  N N    . PRO   A 1 35  ? 26.608 -4.683  -0.815  1   12.687 ? 47  PRO   A N    1 ? 
ATOM   516  C CA   . PRO   A 1 35  ? 27.072 -5.22   0.454   1   12.471 ? 47  PRO   A CA   1 ? 
ATOM   517  C C    . PRO   A 1 35  ? 26.474 -6.554  0.853   1   13.413 ? 47  PRO   A C    1 ? 
ATOM   518  O O    . PRO   A 1 35  ? 25.348 -6.865  0.477   1   13.927 ? 47  PRO   A O    1 ? 
ATOM   519  C CB   . PRO   A 1 35  ? 26.698 -4.167  1.506   1   13.151 ? 47  PRO   A CB   1 ? 
ATOM   520  C CG   . PRO   A 1 35  ? 25.642 -3.326  0.826   1   13.936 ? 47  PRO   A CG   1 ? 
ATOM   521  C CD   . PRO   A 1 35  ? 25.92  -3.385  -0.677  1   12.562 ? 47  PRO   A CD   1 ? 
ATOM   522  H HA   . PRO   A 1 35  ? 28.048 -5.303  0.424   1   12.535 ? 47  PRO   A HA   1 c 
ATOM   523  H HB2  . PRO   A 1 35  ? 26.345 -4.587  2.314   1   13.156 ? 47  PRO   A HB2  1 c 
ATOM   524  H HB3  . PRO   A 1 35  ? 27.474 -3.624  1.746   1   13.075 ? 47  PRO   A HB3  1 c 
ATOM   525  H HG2  . PRO   A 1 35  ? 24.75  -3.677  1.018   1   13.803 ? 47  PRO   A HG2  1 c 
ATOM   526  H HG3  . PRO   A 1 35  ? 25.686 -2.401  1.141   1   13.572 ? 47  PRO   A HG3  1 c 
ATOM   527  H HD2  . PRO   A 1 35  ? 25.093 -3.371  -1.194  1   12.852 ? 47  PRO   A HD2  1 c 
ATOM   528  H HD3  . PRO   A 1 35  ? 26.497 -2.651  -0.964  1   12.685 ? 47  PRO   A HD3  1 c 
ATOM   529  N N    . MET   A 1 36  ? 27.288 -7.309  1.597   1   13.915 ? 48  MET   A N    1 ? 
ATOM   530  C CA   . MET   A 1 36  ? 26.928 -8.612  2.134   1   13.468 ? 48  MET   A CA   1 ? 
ATOM   531  C C    . MET   A 1 36  ? 26.331 -8.437  3.529   1   12.839 ? 48  MET   A C    1 ? 
ATOM   532  O O    . MET   A 1 36  ? 26.653 -7.495  4.249   1   14.296 ? 48  MET   A O    1 ? 
ATOM   533  C CB   . MET   A 1 36  ? 28.185 -9.499  2.189   1   14.656 ? 48  MET   A CB   1 ? 
ATOM   534  C CG   . MET   A 1 36  ? 28.889 -9.708  0.886   1   18.11  ? 48  MET   A CG   1 ? 
ATOM   535  S SD   . MET   A 1 36  ? 27.853 -10.715 -0.19   1   16.537 ? 48  MET   A SD   1 ? 
ATOM   536  C CE   . MET   A 1 36  ? 28.934 -10.777 -1.621  1   16.961 ? 48  MET   A CE   1 ? 
ATOM   537  H H    . MET   A 1 36  ? 28.124 -6.99   1.781   1   13.806 ? 48  MET   A H    1 c 
ATOM   538  H HA   . MET   A 1 36  ? 26.251 -9.025  1.54    1   13.5   ? 48  MET   A HA   1 c 
ATOM   539  H HB2  . MET   A 1 36  ? 28.817 -9.096  2.822   1   14.937 ? 48  MET   A HB2  1 c 
ATOM   540  H HB3  . MET   A 1 36  ? 27.927 -10.374 2.548   1   14.928 ? 48  MET   A HB3  1 c 
ATOM   541  H HG2  . MET   A 1 36  ? 29.066 -8.848  0.457   1   17.211 ? 48  MET   A HG2  1 c 
ATOM   542  H HG3  . MET   A 1 36  ? 29.742 -10.162 1.035   1   17.255 ? 48  MET   A HG3  1 c 
ATOM   543  H HE1  . MET   A 1 36  ? 28.505 -11.292 -2.329  1   16.944 ? 48  MET   A HE1  1 c 
ATOM   544  H HE2  . MET   A 1 36  ? 29.106 -9.87   -1.936  1   16.97  ? 48  MET   A HE2  1 c 
ATOM   545  H HE3  . MET   A 1 36  ? 29.776 -11.201 -1.374  1   16.983 ? 48  MET   A HE3  1 c 
ATOM   546  N N    . ILE   A 1 37  ? 25.446 -9.345  3.923   1   12.348 ? 49  ILE   A N    1 ? 
ATOM   547  C CA   . ILE   A 1 37  ? 24.97  -9.397  5.309   1   13.051 ? 49  ILE   A CA   1 ? 
ATOM   548  C C    . ILE   A 1 37  ? 26.183 -9.383  6.231   1   15.404 ? 49  ILE   A C    1 ? 
ATOM   549  O O    . ILE   A 1 37  ? 27.129 -10.145 6.039   1   14.37  ? 49  ILE   A O    1 ? 
ATOM   550  C CB   . ILE   A 1 37  ? 24.134 -10.649 5.579   1   15.186 ? 49  ILE   A CB   1 ? 
ATOM   551  C CG1  . ILE   A 1 37  ? 22.891 -10.672 4.68    1   19.644 ? 49  ILE   A CG1  1 ? 
ATOM   552  C CG2  . ILE   A 1 37  ? 23.73  -10.7   7.06    1   15.456 ? 49  ILE   A CG2  1 ? 
ATOM   553  C CD1  . ILE   A 1 37  ? 21.848 -9.669  5.064   1   24.173 ? 49  ILE   A CD1  1 ? 
ATOM   554  H H    . ILE   A 1 37  ? 25.134 -9.958  3.322   1   12.6   ? 49  ILE   A H    1 c 
ATOM   555  H HA   . ILE   A 1 37  ? 24.425 -8.606  5.485   1   13.338 ? 49  ILE   A HA   1 c 
ATOM   556  H HB   . ILE   A 1 37  ? 24.678 -11.436 5.375   1   15.218 ? 49  ILE   A HB   1 c 
ATOM   557  H HG12 . ILE   A 1 37  ? 23.163 -10.504 3.755   1   18.866 ? 49  ILE   A HG12 1 c 
ATOM   558  H HG13 . ILE   A 1 37  ? 22.495 -11.567 4.716   1   19.151 ? 49  ILE   A HG13 1 c 
ATOM   559  H HG21 . ILE   A 1 37  ? 23.126 -11.448 7.207   1   15.384 ? 49  ILE   A HG21 1 c 
ATOM   560  H HG22 . ILE   A 1 37  ? 23.284 -9.873  7.308   1   15.483 ? 49  ILE   A HG22 1 c 
ATOM   561  H HG23 . ILE   A 1 37  ? 24.521 -10.815 7.612   1   15.385 ? 49  ILE   A HG23 1 c 
ATOM   562  H HD11 . ILE   A 1 37  ? 21.527 -9.851  5.968   1   23.015 ? 49  ILE   A HD11 1 c 
ATOM   563  H HD12 . ILE   A 1 37  ? 21.1   -9.732  4.441   1   23.013 ? 49  ILE   A HD12 1 c 
ATOM   564  H HD13 . ILE   A 1 37  ? 22.223 -8.769  5.029   1   22.869 ? 49  ILE   A HD13 1 c 
ATOM   565  N N    . GLY   A 1 38  ? 26.129 -8.541  7.258   1   15.412 ? 50  GLY   A N    1 ? 
ATOM   566  C CA   . GLY   A 1 38  ? 27.23  -8.425  8.201   1   17.567 ? 50  GLY   A CA   1 ? 
ATOM   567  C C    . GLY   A 1 38  ? 28.19  -7.287  7.89    1   16.542 ? 50  GLY   A C    1 ? 
ATOM   568  O O    . GLY   A 1 38  ? 28.962 -6.892  8.754   1   18.082 ? 50  GLY   A O    1 ? 
ATOM   569  H H    . GLY   A 1 38  ? 25.386 -8.023  7.38    1   15.665 ? 50  GLY   A H    1 c 
ATOM   570  H HA2  . GLY   A 1 38  ? 26.854 -8.288  9.102   1   17.062 ? 50  GLY   A HA2  1 c 
ATOM   571  H HA3  . GLY   A 1 38  ? 27.73  -9.274  8.214   1   17.062 ? 50  GLY   A HA3  1 c 
ATOM   572  N N    . ASP   A 1 39  ? 28.19  -6.798  6.647   1   14.629 ? 51  ASP   A N    1 ? 
ATOM   573  C CA   . ASP   A 1 39  ? 29.06  -5.68   6.309   1   14.559 ? 51  ASP   A CA   1 ? 
ATOM   574  C C    . ASP   A 1 39  ? 28.628 -4.443  7.093   1   13.071 ? 51  ASP   A C    1 ? 
ATOM   575  O O    . ASP   A 1 39  ? 27.453 -4.209  7.311   1   13.441 ? 51  ASP   A O    1 ? 
ATOM   576  C CB   . ASP   A 1 39  ? 29.074 -5.373  4.835   1   13.928 ? 51  ASP   A CB   1 ? 
ATOM   577  C CG   . ASP   A 1 39  ? 29.818 -6.366  3.944   1   14.375 ? 51  ASP   A CG   1 ? 
ATOM   578  O OD1  . ASP   A 1 39  ? 30.464 -7.292  4.482   1   17.091 ? 51  ASP   A OD1  1 ? 
ATOM   579  O OD2  . ASP   A 1 39  ? 29.694 -6.204  2.71    1   15.345 ? 51  ASP   A OD2  1 ? 
ATOM   580  H H    . ASP   A 1 39  ? 27.651 -7.158  6.004   1   14.903 ? 51  ASP   A H    1 c 
ATOM   581  H HA   . ASP   A 1 39  ? 29.978 -5.914  6.576   1   14.257 ? 51  ASP   A HA   1 c 
ATOM   582  H HB2  . ASP   A 1 39  ? 28.148 -5.318  4.52    1   14.095 ? 51  ASP   A HB2  1 c 
ATOM   583  H HB3  . ASP   A 1 39  ? 29.484 -4.492  4.704   1   14.083 ? 51  ASP   A HB3  1 c 
ATOM   584  N N    . LYS   A 1 40  ? 29.596 -3.63   7.442   1   13.326 ? 52  LYS   A N    1 ? 
ATOM   585  C CA   . LYS   A 1 40  ? 29.334 -2.308  7.977   1   14.536 ? 52  LYS   A CA   1 ? 
ATOM   586  C C    . LYS   A 1 40  ? 29.076 -1.383  6.806   1   12.886 ? 52  LYS   A C    1 ? 
ATOM   587  O O    . LYS   A 1 40  ? 29.863 -1.349  5.872   1   12.803 ? 52  LYS   A O    1 ? 
ATOM   588  C CB   . LYS   A 1 40  ? 30.496 -1.817  8.837   1   18.597 ? 52  LYS   A CB   1 ? 
ATOM   589  C CG   . LYS   A 1 40  ? 30.528 -2.518  10.161  1   23.472 ? 52  LYS   A CG   1 ? 
ATOM   590  C CD   . LYS   A 1 40  ? 31.311 -1.705  11.177  1   30.307 ? 52  LYS   A CD   1 ? 
ATOM   591  C CE   . LYS   A 1 40  ? 31.324 -2.364  12.513  1   33.289 ? 52  LYS   A CE   1 ? 
ATOM   592  N NZ   . LYS   A 1 40  ? 32.291 -1.623  13.342  1   34.533 ? 52  LYS   A NZ   1 ? 
ATOM   593  H H    . LYS   A 1 40  ? 30.464 -3.901  7.348   1   13.406 ? 52  LYS   A H    1 c 
ATOM   594  H HA   . LYS   A 1 40  ? 28.518 -2.352  8.538   1   14.5   ? 52  LYS   A HA   1 c 
ATOM   595  H HB2  . LYS   A 1 40  ? 31.343 -1.979  8.368   1   18.371 ? 52  LYS   A HB2  1 c 
ATOM   596  H HB3  . LYS   A 1 40  ? 30.409 -0.852  8.985   1   18.301 ? 52  LYS   A HB3  1 c 
ATOM   597  H HG2  . LYS   A 1 40  ? 29.609 -2.648  10.481  1   22.899 ? 52  LYS   A HG2  1 c 
ATOM   598  H HG3  . LYS   A 1 40  ? 30.947 -3.399  10.05   1   23.193 ? 52  LYS   A HG3  1 c 
ATOM   599  H HD2  . LYS   A 1 40  ? 32.234 -1.595  10.861  1   29.401 ? 52  LYS   A HD2  1 c 
ATOM   600  H HD3  . LYS   A 1 40  ? 30.906 -0.814  11.261  1   29.194 ? 52  LYS   A HD3  1 c 
ATOM   601  H HE2  . LYS   A 1 40  ? 30.44  -2.327  12.919  1   32.918 ? 52  LYS   A HE2  1 c 
ATOM   602  H HE3  . LYS   A 1 40  ? 31.6   -3.295  12.434  1   33.11  ? 52  LYS   A HE3  1 c 
ATOM   603  H HZ1  . LYS   A 1 40  ? 32.05  -0.751  13.391  1   33.924 ? 52  LYS   A HZ1  1 c 
ATOM   604  H HZ2  . LYS   A 1 40  ? 33.119 -1.684  12.98   1   34.327 ? 52  LYS   A HZ2  1 c 
ATOM   605  H HZ3  . LYS   A 1 40  ? 32.306 -1.974  14.177  1   34.422 ? 52  LYS   A HZ3  1 c 
ATOM   606  N N    . VAL   A 1 41  ? 27.931 -0.697  6.837   1   11.798 ? 53  VAL   A N    1 ? 
ATOM   607  C CA   . VAL   A 1 41  ? 27.531 0.186   5.777   1   11.807 ? 53  VAL   A CA   1 ? 
ATOM   608  C C    . VAL   A 1 41  ? 27.511 1.625   6.288   1   11.562 ? 53  VAL   A C    1 ? 
ATOM   609  O O    . VAL   A 1 41  ? 27.154 1.876   7.434   1   11.367 ? 53  VAL   A O    1 ? 
ATOM   610  C CB   . VAL   A 1 41  ? 26.181 -0.182  5.152   1   12.219 ? 53  VAL   A CB   1 ? 
ATOM   611  C CG1  . VAL   A 1 41  ? 26.21  -1.594  4.58    1   13.666 ? 53  VAL   A CG1  1 ? 
ATOM   612  C CG2  . VAL   A 1 41  ? 25.049 -0.092  6.116   1   13.829 ? 53  VAL   A CG2  1 ? 
ATOM   613  H H    . VAL   A 1 41  ? 27.382 -0.784  7.562   1   11.983 ? 53  VAL   A H    1 c 
ATOM   614  H HA   . VAL   A 1 41  ? 28.206 0.129   5.073   1   12.004 ? 53  VAL   A HA   1 c 
ATOM   615  H HB   . VAL   A 1 41  ? 26.013 0.449   4.413   1   12.676 ? 53  VAL   A HB   1 c 
ATOM   616  H HG11 . VAL   A 1 41  ? 26.397 -2.229  5.292   1   13.321 ? 53  VAL   A HG11 1 c 
ATOM   617  H HG12 . VAL   A 1 41  ? 26.904 -1.655  3.902   1   13.553 ? 53  VAL   A HG12 1 c 
ATOM   618  H HG13 . VAL   A 1 41  ? 25.349 -1.801  4.181   1   13.388 ? 53  VAL   A HG13 1 c 
ATOM   619  H HG21 . VAL   A 1 41  ? 24.224 -0.332  5.663   1   13.454 ? 53  VAL   A HG21 1 c 
ATOM   620  H HG22 . VAL   A 1 41  ? 24.98  0.816   6.454   1   13.641 ? 53  VAL   A HG22 1 c 
ATOM   621  H HG23 . VAL   A 1 41  ? 25.2   -0.703  6.855   1   13.587 ? 53  VAL   A HG23 1 c 
ATOM   622  N N    . TYR   A 1 42  ? 28.01  2.551   5.449   1   11.995 ? 54  TYR   A N    1 ? 
ATOM   623  C CA   . TYR   A 1 42  ? 28.134 3.972   5.799   1   11.224 ? 54  TYR   A CA   1 ? 
ATOM   624  C C    . TYR   A 1 42  ? 27.25  4.764   4.838   1   11.33  ? 54  TYR   A C    1 ? 
ATOM   625  O O    . TYR   A 1 42  ? 27.451 4.691   3.616   1   10.225 ? 54  TYR   A O    1 ? 
ATOM   626  C CB   . TYR   A 1 42  ? 29.579 4.448   5.595   1   11.452 ? 54  TYR   A CB   1 ? 
ATOM   627  C CG   . TYR   A 1 42  ? 30.578 3.714   6.469   1   12.47  ? 54  TYR   A CG   1 ? 
ATOM   628  C CD1  . TYR   A 1 42  ? 30.914 2.397   6.206   1   14.44  ? 54  TYR   A CD1  1 ? 
ATOM   629  C CD2  . TYR   A 1 42  ? 31.166 4.311   7.567   1   13.342 ? 54  TYR   A CD2  1 ? 
ATOM   630  C CE1  . TYR   A 1 42  ? 31.781 1.696   7.03    1   15.942 ? 54  TYR   A CE1  1 ? 
ATOM   631  C CE2  . TYR   A 1 42  ? 32.062 3.624   8.382   1   12.749 ? 54  TYR   A CE2  1 ? 
ATOM   632  C CZ   . TYR   A 1 42  ? 32.371 2.308   8.117   1   14.763 ? 54  TYR   A CZ   1 ? 
ATOM   633  O OH   . TYR   A 1 42  ? 33.25  1.573   8.879   1   17.436 ? 54  TYR   A OH   1 ? 
ATOM   634  H H    . TYR   A 1 42  ? 28.284 2.287   4.618   1   11.841 ? 54  TYR   A H    1 c 
ATOM   635  H HA   . TYR   A 1 42  ? 27.85  4.125   6.739   1   11.355 ? 54  TYR   A HA   1 c 
ATOM   636  H HB2  . TYR   A 1 42  ? 29.824 4.318   4.652   1   11.587 ? 54  TYR   A HB2  1 c 
ATOM   637  H HB3  . TYR   A 1 42  ? 29.625 5.409   5.793   1   11.624 ? 54  TYR   A HB3  1 c 
ATOM   638  H HD1  . TYR   A 1 42  ? 30.519 1.955   5.471   1   14.162 ? 54  TYR   A HD1  1 c 
ATOM   639  H HD2  . TYR   A 1 42  ? 30.957 5.209   7.77    1   13.066 ? 54  TYR   A HD2  1 c 
ATOM   640  H HE1  . TYR   A 1 42  ? 31.994 0.801   6.829   1   15.234 ? 54  TYR   A HE1  1 c 
ATOM   641  H HE2  . TYR   A 1 42  ? 32.449 4.055   9.124   1   13.129 ? 54  TYR   A HE2  1 c 
ATOM   642  H HH   . TYR   A 1 42  ? 33.325 0.783   8.561   0   17.57  ? 54  TYR   A HH   1 c 
ATOM   643  N N    . VAL   A 1 43  ? 26.264 5.486   5.357   1   10.501 ? 55  VAL   A N    1 ? 
ATOM   644  C CA   . VAL   A 1 43  ? 25.313 6.195   4.524   1   10.763 ? 55  VAL   A CA   1 ? 
ATOM   645  C C    . VAL   A 1 43  ? 25.091 7.637   4.996   1   11.305 ? 55  VAL   A C    1 ? 
ATOM   646  O O    . VAL   A 1 43  ? 25.311 7.985   6.142   1   12.753 ? 55  VAL   A O    1 ? 
ATOM   647  C CB   . VAL   A 1 43  ? 23.954 5.484   4.493   1   10.18  ? 55  VAL   A CB   1 ? 
ATOM   648  C CG1  . VAL   A 1 43  ? 24.077 4.044   4.09    1   10.989 ? 55  VAL   A CG1  1 ? 
ATOM   649  C CG2  . VAL   A 1 43  ? 23.123 5.583   5.78    1   9.803  ? 55  VAL   A CG2  1 ? 
ATOM   650  H H    . VAL   A 1 43  ? 26.178 5.541   6.265   1   10.767 ? 55  VAL   A H    1 c 
ATOM   651  H HA   . VAL   A 1 43  ? 25.664 6.223   3.615   1   10.867 ? 55  VAL   A HA   1 c 
ATOM   652  H HB   . VAL   A 1 43  ? 23.426 5.927   3.788   1   10.408 ? 55  VAL   A HB   1 c 
ATOM   653  H HG11 . VAL   A 1 43  ? 24.623 3.569   4.738   1   10.959 ? 55  VAL   A HG11 1 c 
ATOM   654  H HG12 . VAL   A 1 43  ? 24.493 3.987   3.213   1   10.966 ? 55  VAL   A HG12 1 c 
ATOM   655  H HG13 . VAL   A 1 43  ? 23.194 3.64    4.054   1   10.667 ? 55  VAL   A HG13 1 c 
ATOM   656  H HG21 . VAL   A 1 43  ? 22.295 5.086   5.671   1   9.691  ? 55  VAL   A HG21 1 c 
ATOM   657  H HG22 . VAL   A 1 43  ? 22.916 6.514   5.966   1   9.839  ? 55  VAL   A HG22 1 c 
ATOM   658  H HG23 . VAL   A 1 43  ? 23.628 5.21    6.522   1   9.888  ? 55  VAL   A HG23 1 c 
ATOM   659  N N    . HIS   A 1 44  ? 24.566 8.437   4.077   1   11.796 ? 56  HIS   A N    1 ? 
ATOM   660  C CA   . HIS   A 1 44  ? 23.822 9.645   4.368   1   12.482 ? 56  HIS   A CA   1 ? 
ATOM   661  C C    . HIS   A 1 44  ? 22.364 9.358   4.001   1   11.936 ? 56  HIS   A C    1 ? 
ATOM   662  O O    . HIS   A 1 44  ? 22.105 8.627   3.059   1   12.171 ? 56  HIS   A O    1 ? 
ATOM   663  C CB   . HIS   A 1 44  ? 24.389 10.87   3.631   1   14.4   ? 56  HIS   A CB   1 ? 
ATOM   664  C CG   . HIS   A 1 44  ? 25.417 11.568  4.46    1   17.752 ? 56  HIS   A CG   1 ? 
ATOM   665  N ND1  . HIS   A 1 44  ? 25.186 12.008  5.758   1   20.341 ? 56  HIS   A ND1  1 ? 
ATOM   666  C CD2  . HIS   A 1 44  ? 26.704 11.882  4.192   1   19.482 ? 56  HIS   A CD2  1 ? 
ATOM   667  C CE1  . HIS   A 1 44  ? 26.285 12.599  6.204   1   20.461 ? 56  HIS   A CE1  1 ? 
ATOM   668  N NE2  . HIS   A 1 44  ? 27.219 12.509  5.271   1   22.417 ? 56  HIS   A NE2  1 ? 
ATOM   669  H H    . HIS   A 1 44  ? 24.683 8.214   3.199   1   11.649 ? 56  HIS   A H    1 c 
ATOM   670  H HA   . HIS   A 1 44  ? 23.869 9.804   5.341   1   12.609 ? 56  HIS   A HA   1 c 
ATOM   671  H HB2  . HIS   A 1 44  ? 24.796 10.576  2.787   1   14.49  ? 56  HIS   A HB2  1 c 
ATOM   672  H HB3  . HIS   A 1 44  ? 23.656 11.492  3.429   1   14.484 ? 56  HIS   A HB3  1 c 
ATOM   673  H HD1  . HIS   A 1 44  ? 24.442 11.91   6.214   0   20.72  ? 56  HIS   A HD1  1 c 
ATOM   674  H HD2  . HIS   A 1 44  ? 27.164 11.708  3.394   1   19.456 ? 56  HIS   A HD2  1 c 
ATOM   675  H HE1  . HIS   A 1 44  ? 26.391 12.985  7.057   1   20.604 ? 56  HIS   A HE1  1 c 
ATOM   676  H HE2  . HIS   A 1 44  ? 28.045 12.814  5.346   0   22.76  ? 56  HIS   A HE2  1 c 
ATOM   677  N N    . TYR   A 1 45  ? 21.44  9.961   4.753   1   12.082 ? 57  TYR   A N    1 ? 
ATOM   678  C CA   . TYR   A 1 45  ? 20.036 9.739   4.487   1   11.989 ? 57  TYR   A CA   1 ? 
ATOM   679  C C    . TYR   A 1 45  ? 19.212 10.944  4.913   1   12.367 ? 57  TYR   A C    1 ? 
ATOM   680  O O    . TYR   A 1 45  ? 19.598 11.713  5.801   1   12.593 ? 57  TYR   A O    1 ? 
ATOM   681  C CB   . TYR   A 1 45  ? 19.491 8.482   5.144   1   11.731 ? 57  TYR   A CB   1 ? 
ATOM   682  C CG   . TYR   A 1 45  ? 19.258 8.631   6.633   1   11.465 ? 57  TYR   A CG   1 ? 
ATOM   683  C CD1  . TYR   A 1 45  ? 20.284 8.386   7.522   1   12.252 ? 57  TYR   A CD1  1 ? 
ATOM   684  C CD2  . TYR   A 1 45  ? 18.066 9.082   7.136   1   12.142 ? 57  TYR   A CD2  1 ? 
ATOM   685  C CE1  . TYR   A 1 45  ? 20.139 8.594   8.872   1   12.976 ? 57  TYR   A CE1  1 ? 
ATOM   686  C CE2  . TYR   A 1 45  ? 17.898 9.272   8.494   1   12.86  ? 57  TYR   A CE2  1 ? 
ATOM   687  C CZ   . TYR   A 1 45  ? 18.919 8.987   9.375   1   13.041 ? 57  TYR   A CZ   1 ? 
ATOM   688  O OH   . TYR   A 1 45  ? 18.767 9.232   10.714  1   16.578 ? 57  TYR   A OH   1 ? 
ATOM   689  H H    . TYR   A 1 45  ? 21.688 10.515  5.437   1   11.957 ? 57  TYR   A H    1 c 
ATOM   690  H HA   . TYR   A 1 45  ? 19.933 9.635   3.507   1   12.019 ? 57  TYR   A HA   1 c 
ATOM   691  H HB2  . TYR   A 1 45  ? 18.641 8.245   4.71    1   11.662 ? 57  TYR   A HB2  1 c 
ATOM   692  H HB3  . TYR   A 1 45  ? 20.126 7.747   4.991   1   11.78  ? 57  TYR   A HB3  1 c 
ATOM   693  H HD1  . TYR   A 1 45  ? 21.12  8.1     7.19    1   12.254 ? 57  TYR   A HD1  1 c 
ATOM   694  H HD2  . TYR   A 1 45  ? 17.351 9.267   6.548   1   12.135 ? 57  TYR   A HD2  1 c 
ATOM   695  H HE1  . TYR   A 1 45  ? 20.855 8.413   9.458   1   12.718 ? 57  TYR   A HE1  1 c 
ATOM   696  H HE2  . TYR   A 1 45  ? 17.07  9.574   8.823   1   12.855 ? 57  TYR   A HE2  1 c 
ATOM   697  H HH   . TYR   A 1 45  ? 19.505 9.107   11.126  0   16.39  ? 57  TYR   A HH   1 c 
ATOM   698  N N    . LYS   A 1 46  ? 18.01  10.979  4.311   1   12.473 ? 58  LYS   A N    1 ? 
ATOM   699  C CA   . LYS   A 1 46  ? 16.898 11.81   4.777   1   13.913 ? 58  LYS   A CA   1 ? 
ATOM   700  C C    . LYS   A 1 46  ? 15.679 10.925  4.771   1   13.197 ? 58  LYS   A C    1 ? 
ATOM   701  O O    . LYS   A 1 46  ? 15.463 10.131  3.835   1   13.64  ? 58  LYS   A O    1 ? 
ATOM   702  C CB   . LYS   A 1 46  ? 16.508 12.955  3.838   1   15.272 ? 58  LYS   A CB   1 ? 
ATOM   703  C CG   . LYS   A 1 46  ? 17.684 13.668  3.35    1   16.982 ? 58  LYS   A CG   1 ? 
ATOM   704  C CD   . LYS   A 1 46  ? 17.423 15.054  2.874   1   18.751 ? 58  LYS   A CD   1 ? 
ATOM   705  C CE   . LYS   A 1 46  ? 18.347 15.549  1.943   1   22.352 ? 58  LYS   A CE   1 ? 
ATOM   706  N NZ   . LYS   A 1 46  ? 18.384 17.01   1.858   1   18.999 ? 58  LYS   A NZ   1 ? 
ATOM   707  H H    . LYS   A 1 46  ? 17.878 10.461  3.57    1   12.77  ? 58  LYS   A H    1 c 
ATOM   708  H HA   . LYS   A 1 46  ? 17.084 12.137  5.692   1   13.68  ? 58  LYS   A HA   1 c 
ATOM   709  H HB2  . LYS   A 1 46  ? 16.01  12.599  3.071   1   15.296 ? 58  LYS   A HB2  1 c 
ATOM   710  H HB3  . LYS   A 1 46  ? 15.925 13.585  4.314   1   15.436 ? 58  LYS   A HB3  1 c 
ATOM   711  H HG2  . LYS   A 1 46  ? 18.349 13.702  4.073   1   16.888 ? 58  LYS   A HG2  1 c 
ATOM   712  H HG3  . LYS   A 1 46  ? 18.075 13.15   2.613   1   16.844 ? 58  LYS   A HG3  1 c 
ATOM   713  H HD2  . LYS   A 1 46  ? 16.524 15.088  2.48    1   18.891 ? 58  LYS   A HD2  1 c 
ATOM   714  H HD3  . LYS   A 1 46  ? 17.424 15.648  3.658   1   18.793 ? 58  LYS   A HD3  1 c 
ATOM   715  H HE2  . LYS   A 1 46  ? 19.238 15.22   2.159   1   21.018 ? 58  LYS   A HE2  1 c 
ATOM   716  H HE3  . LYS   A 1 46  ? 18.105 15.199  1.065   1   21.142 ? 58  LYS   A HE3  1 c 
ATOM   717  H HZ1  . LYS   A 1 46  ? 18.757 17.348  2.612   1   19.201 ? 58  LYS   A HZ1  1 c 
ATOM   718  H HZ2  . LYS   A 1 46  ? 17.544 17.338  1.769   1   19.513 ? 58  LYS   A HZ2  1 c 
ATOM   719  H HZ3  . LYS   A 1 46  ? 18.879 17.263  1.142   1   19.467 ? 58  LYS   A HZ3  1 c 
ATOM   720  N N    . GLY   A 1 47  ? 14.87  11.068  5.814   1   14.302 ? 59  GLY   A N    1 ? 
ATOM   721  C CA   . GLY   A 1 47  ? 13.668 10.285  5.943   1   17.244 ? 59  GLY   A CA   1 ? 
ATOM   722  C C    . GLY   A 1 47  ? 12.499 11.147  6.382   1   16.603 ? 59  GLY   A C    1 ? 
ATOM   723  O O    . GLY   A 1 47  ? 12.675 12.104  7.148   1   17.171 ? 59  GLY   A O    1 ? 
ATOM   724  H H    . GLY   A 1 47  ? 15.074 11.674  6.467   1   14.396 ? 59  GLY   A H    1 c 
ATOM   725  H HA2  . GLY   A 1 47  ? 13.461 9.863   5.079   1   16.373 ? 59  GLY   A HA2  1 c 
ATOM   726  H HA3  . GLY   A 1 47  ? 13.818 9.569   6.604   1   16.535 ? 59  GLY   A HA3  1 c 
ATOM   727  N N    . LYS   A 1 48  ? 11.306 10.733  5.963   1   16.014 ? 60  LYS   A N    1 ? 
ATOM   728  C CA   . LYS   A 1 48  ? 10.117 11.393  6.464   1   18.384 ? 60  LYS   A CA   1 ? 
ATOM   729  C C    . LYS   A 1 48  ? 8.93   10.439  6.492   1   17.897 ? 60  LYS   A C    1 ? 
ATOM   730  O O    . LYS   A 1 48  ? 8.92   9.425   5.821   1   16.961 ? 60  LYS   A O    1 ? 
ATOM   731  C CB   . LYS   A 1 48  ? 9.844  12.623  5.605   1   21.186 ? 60  LYS   A CB   1 ? 
ATOM   732  C CG   . LYS   A 1 48  ? 9.533  12.433  4.156   1   21.857 ? 60  LYS   A CG   1 ? 
ATOM   733  C CD   . LYS   A 1 48  ? 9.001  13.739  3.562   1   25.197 ? 60  LYS   A CD   1 ? 
ATOM   734  C CE   . LYS   A 1 48  ? 8.927  13.745  2.12    1   28.31  ? 60  LYS   A CE   1 ? 
ATOM   735  N NZ   . LYS   A 1 48  ? 8.462  15.08   1.741   1   30.144 ? 60  LYS   A NZ   1 ? 
ATOM   736  H H    . LYS   A 1 48  ? 11.229 10.042  5.369   1   16.39  ? 60  LYS   A H    1 c 
ATOM   737  H HA   . LYS   A 1 48  ? 10.295 11.689  7.391   1   18.16  ? 60  LYS   A HA   1 c 
ATOM   738  H HB2  . LYS   A 1 48  ? 9.091  13.106  6.009   1   20.654 ? 60  LYS   A HB2  1 c 
ATOM   739  H HB3  . LYS   A 1 48  ? 10.628 13.209  5.665   1   20.661 ? 60  LYS   A HB3  1 c 
ATOM   740  H HG2  . LYS   A 1 48  ? 10.348 12.16   3.682   1   22.143 ? 60  LYS   A HG2  1 c 
ATOM   741  H HG3  . LYS   A 1 48  ? 8.859  11.725  4.056   1   22.282 ? 60  LYS   A HG3  1 c 
ATOM   742  H HD2  . LYS   A 1 48  ? 8.103  13.904  3.925   1   25.164 ? 60  LYS   A HD2  1 c 
ATOM   743  H HD3  . LYS   A 1 48  ? 9.58   14.476  3.854   1   24.817 ? 60  LYS   A HD3  1 c 
ATOM   744  H HE2  . LYS   A 1 48  ? 9.805  13.577  1.731   1   27.894 ? 60  LYS   A HE2  1 c 
ATOM   745  H HE3  . LYS   A 1 48  ? 8.301  13.07   1.801   1   27.97  ? 60  LYS   A HE3  1 c 
ATOM   746  H HZ1  . LYS   A 1 48  ? 9.04   15.711  2.041   1   29.789 ? 60  LYS   A HZ1  1 c 
ATOM   747  H HZ2  . LYS   A 1 48  ? 7.641  15.235  2.092   1   29.776 ? 60  LYS   A HZ2  1 c 
ATOM   748  H HZ3  . LYS   A 1 48  ? 8.41   15.136  0.838   1   29.889 ? 60  LYS   A HZ3  1 c 
ATOM   749  N N    . LEU   A 1 49  ? 7.907  10.788  7.285   1   19.358 ? 61  LEU   A N    1 ? 
ATOM   750  C CA   . LEU   A 1 49  ? 6.629  10.11   7.122   1   22.359 ? 61  LEU   A CA   1 ? 
ATOM   751  C C    . LEU   A 1 49  ? 6.049  10.587  5.806   1   26.642 ? 61  LEU   A C    1 ? 
ATOM   752  O O    . LEU   A 1 49  ? 6.293  11.723  5.422   1   26.386 ? 61  LEU   A O    1 ? 
ATOM   753  C CB   . LEU   A 1 49  ? 5.708  10.41   8.306   1   24.244 ? 61  LEU   A CB   1 ? 
ATOM   754  C CG   . LEU   A 1 49  ? 6.327  10.11   9.677   1   27.449 ? 61  LEU   A CG   1 ? 
ATOM   755  C CD1  . LEU   A 1 49  ? 5.394  10.548  10.761  1   30.45  ? 61  LEU   A CD1  1 ? 
ATOM   756  C CD2  . LEU   A 1 49  ? 6.742  8.659   9.833   1   27.734 ? 61  LEU   A CD2  1 ? 
ATOM   757  H H    . LEU   A 1 49  ? 8.001  11.449  7.91    1   19.526 ? 61  LEU   A H    1 c 
ATOM   758  H HA   . LEU   A 1 49  ? 6.79   9.133   7.069   1   22.679 ? 61  LEU   A HA   1 c 
ATOM   759  H HB2  . LEU   A 1 49  ? 5.461  11.363  8.274   1   24.507 ? 61  LEU   A HB2  1 c 
ATOM   760  H HB3  . LEU   A 1 49  ? 4.888  9.873   8.207   1   24.362 ? 61  LEU   A HB3  1 c 
ATOM   761  H HG   . LEU   A 1 49  ? 7.148  10.658  9.762   1   27.244 ? 61  LEU   A HG   1 c 
ATOM   762  H HD11 . LEU   A 1 49  ? 5.235  11.504  10.687  1   29.912 ? 61  LEU   A HD11 1 c 
ATOM   763  H HD12 . LEU   A 1 49  ? 5.789  10.352  11.628  1   29.882 ? 61  LEU   A HD12 1 c 
ATOM   764  H HD13 . LEU   A 1 49  ? 4.551  10.072  10.676  1   29.757 ? 61  LEU   A HD13 1 c 
ATOM   765  H HD21 . LEU   A 1 49  ? 7.434  8.45    9.185   1   27.731 ? 61  LEU   A HD21 1 c 
ATOM   766  H HD22 . LEU   A 1 49  ? 5.974  8.082   9.684   1   27.735 ? 61  LEU   A HD22 1 c 
ATOM   767  H HD23 . LEU   A 1 49  ? 7.087  8.514   10.73   1   27.481 ? 61  LEU   A HD23 1 c 
ATOM   768  N N    . SER   A 1 50  ? 5.304  9.714   5.111   1   31.256 ? 62  SER   A N    1 ? 
ATOM   769  C CA   . SER   A 1 50  ? 4.518  10.134  3.959   1   37.335 ? 62  SER   A CA   1 ? 
ATOM   770  C C    . SER   A 1 50  ? 3.566  11.248  4.377   1   38.258 ? 62  SER   A C    1 ? 
ATOM   771  O O    . SER   A 1 50  ? 3.579  12.326  3.807   1   49.345 ? 62  SER   A O    1 ? 
ATOM   772  C CB   . SER   A 1 50  ? 3.716  8.996   3.373   1   38.9   ? 62  SER   A CB   1 ? 
ATOM   773  O OG   . SER   A 1 50  ? 4.584  7.96    2.948   1   49.515 ? 62  SER   A OG   1 ? 
ATOM   774  H H    . SER   A 1 50  ? 5.285  8.836   5.364   1   30.881 ? 62  SER   A H    1 c 
ATOM   775  H HA   . SER   A 1 50  ? 5.134  10.484  3.266   1   36.534 ? 62  SER   A HA   1 c 
ATOM   776  H HB2  . SER   A 1 50  ? 3.098  8.651   4.044   1   40.008 ? 62  SER   A HB2  1 c 
ATOM   777  H HB3  . SER   A 1 50  ? 3.197  9.321   2.613   1   39.301 ? 62  SER   A HB3  1 c 
ATOM   778  H HG   . SER   A 1 50  ? 4.146  7.332   2.627   0   49.8   ? 62  SER   A HG   1 c 
ATOM   779  N N    . ASN   A 1 51  ? 2.698  10.923  5.341   1   50.232 ? 63  ASN   A N    1 ? 
ATOM   780  C CA   . ASN   A 1 51  ? 1.559  11.754  5.706   1   54.411 ? 63  ASN   A CA   1 ? 
ATOM   781  C C    . ASN   A 1 51  ? 1.869  12.344  7.072   1   58.862 ? 63  ASN   A C    1 ? 
ATOM   782  O O    . ASN   A 1 51  ? 1.215  12.029  8.062   1   65.456 ? 63  ASN   A O    1 ? 
ATOM   783  C CB   . ASN   A 1 51  ? 0.242  10.971  5.692   1   52.278 ? 63  ASN   A CB   1 ? 
ATOM   784  H H    . ASN   A 1 51  ? 2.824  10.141  5.797   1   47.975 ? 63  ASN   A H    1 c 
ATOM   785  H HA   . ASN   A 1 51  ? 1.479  12.487  5.055   1   54.097 ? 63  ASN   A HA   1 c 
ATOM   786  H HB2  . ASN   A 1 51  ? 0.432  10.029  5.704   0   52.07  ? 63  ASN   A HB2  1 c 
ATOM   787  H HB3  . ASN   A 1 51  ? -0.497 11.626  5.721   0   52.07  ? 63  ASN   A HB3  1 c 
ATOM   788  N N    . GLY   A 1 52  ? 2.901  13.176  7.126   1   60.938 ? 64  GLY   A N    1 ? 
ATOM   789  C CA   . GLY   A 1 52  ? 3.352  13.659  8.415   1   61.164 ? 64  GLY   A CA   1 ? 
ATOM   790  C C    . GLY   A 1 52  ? 4.333  14.808  8.269   1   60.947 ? 64  GLY   A C    1 ? 
ATOM   791  O O    . GLY   A 1 52  ? 4.965  14.976  7.224   1   67.068 ? 64  GLY   A O    1 ? 
ATOM   792  H H    . GLY   A 1 52  ? 3.327  13.447  6.364   1   60.819 ? 64  GLY   A H    1 c 
ATOM   793  H HA2  . GLY   A 1 52  ? 2.571  13.959  8.938   1   60.695 ? 64  GLY   A HA2  1 c 
ATOM   794  H HA3  . GLY   A 1 52  ? 3.781  12.919  8.905   1   60.261 ? 64  GLY   A HA3  1 c 
ATOM   795  N N    . LYS   A 1 53  ? 4.443  15.578  9.35    1   53.16  ? 65  LYS   A N    1 ? 
ATOM   796  C CA   . LYS   A 1 53  ? 5.533  16.516  9.502   1   48.513 ? 65  LYS   A CA   1 ? 
ATOM   797  C C    . LYS   A 1 53  ? 6.513  15.91   10.501  1   41.249 ? 65  LYS   A C    1 ? 
ATOM   798  O O    . LYS   A 1 53  ? 6.661  16.432  11.601  1   43.892 ? 65  LYS   A O    1 ? 
ATOM   799  C CB   . LYS   A 1 53  ? 4.962  17.878  9.93    1   49.187 ? 65  LYS   A CB   1 ? 
ATOM   800  H H    . LYS   A 1 53  ? 3.821  15.511  10.017  1   53.771 ? 65  LYS   A H    1 c 
ATOM   801  H HA   . LYS   A 1 53  ? 5.99   16.619  8.629   1   48.234 ? 65  LYS   A HA   1 c 
ATOM   802  H HB2  . LYS   A 1 53  ? 5.734  18.493  10.13   0   49.65  ? 65  LYS   A HB2  1 c 
ATOM   803  H HB3  . LYS   A 1 53  ? 4.003  17.847  9.929   0   49.65  ? 65  LYS   A HB3  1 c 
ATOM   804  N N    . LYS   A 1 54  ? 7.115  14.767  10.143  1   28.512 ? 66  LYS   A N    1 ? 
ATOM   805  C CA   . LYS   A 1 54  ? 8.323  14.331  10.805  1   25.428 ? 66  LYS   A CA   1 ? 
ATOM   806  C C    . LYS   A 1 54  ? 9.348  14.068  9.716   1   23.35  ? 66  LYS   A C    1 ? 
ATOM   807  O O    . LYS   A 1 54  ? 9.036  13.414  8.712   1   24.604 ? 66  LYS   A O    1 ? 
ATOM   808  C CB   . LYS   A 1 54  ? 8.169  13.123  11.728  1   25.92  ? 66  LYS   A CB   1 ? 
ATOM   809  C CG   . LYS   A 1 54  ? 7.271  13.452  12.901  1   29.713 ? 66  LYS   A CG   1 ? 
ATOM   810  C CD   . LYS   A 1 54  ? 7.085  12.323  13.896  1   31.223 ? 66  LYS   A CD   1 ? 
ATOM   811  C CE   . LYS   A 1 54  ? 6.129  12.72   14.971  1   33.441 ? 66  LYS   A CE   1 ? 
ATOM   812  N NZ   . LYS   A 1 54  ? 5.769  11.556  15.779  1   38.897 ? 66  LYS   A NZ   1 ? 
ATOM   813  H H    . LYS   A 1 54  ? 6.766  14.258  9.469   1   29.031 ? 66  LYS   A H    1 c 
ATOM   814  H HA   . LYS   A 1 54  ? 8.652  15.083  11.358  1   25.393 ? 66  LYS   A HA   1 c 
ATOM   815  H HB2  . LYS   A 1 54  ? 7.781  12.374  11.228  1   26.337 ? 66  LYS   A HB2  1 c 
ATOM   816  H HB3  . LYS   A 1 54  ? 9.049  12.848  12.062  1   26.263 ? 66  LYS   A HB3  1 c 
ATOM   817  H HG2  . LYS   A 1 54  ? 7.649  14.227  13.371  1   29.241 ? 66  LYS   A HG2  1 c 
ATOM   818  H HG3  . LYS   A 1 54  ? 6.392  13.717  12.553  1   29.181 ? 66  LYS   A HG3  1 c 
ATOM   819  H HD2  . LYS   A 1 54  ? 6.737  11.532  13.428  1   31.192 ? 66  LYS   A HD2  1 c 
ATOM   820  H HD3  . LYS   A 1 54  ? 7.95   12.092  14.297  1   31.372 ? 66  LYS   A HD3  1 c 
ATOM   821  H HE2  . LYS   A 1 54  ? 6.538  13.393  15.544  1   33.937 ? 66  LYS   A HE2  1 c 
ATOM   822  H HE3  . LYS   A 1 54  ? 5.323  13.098  14.577  1   33.582 ? 66  LYS   A HE3  1 c 
ATOM   823  H HZ1  . LYS   A 1 54  ? 6.513  11.212  16.163  1   37.687 ? 66  LYS   A HZ1  1 c 
ATOM   824  H HZ2  . LYS   A 1 54  ? 5.382  10.924  15.257  1   37.421 ? 66  LYS   A HZ2  1 c 
ATOM   825  H HZ3  . LYS   A 1 54  ? 5.187  11.802  16.428  1   37.643 ? 66  LYS   A HZ3  1 c 
ATOM   826  N N    . PHE   A 1 55  ? 10.549 14.574  9.981   1   19.639 ? 67  PHE   A N    1 ? 
ATOM   827  C CA   . PHE   A 1 55  ? 11.665 14.563  9.051   1   17.28  ? 67  PHE   A CA   1 ? 
ATOM   828  C C    . PHE   A 1 55  ? 12.919 14.296  9.872   1   15.908 ? 67  PHE   A C    1 ? 
ATOM   829  O O    . PHE   A 1 55  ? 13.008 14.706  11.009  1   19.682 ? 67  PHE   A O    1 ? 
ATOM   830  C CB   . PHE   A 1 55  ? 11.777 15.941  8.38    1   18.748 ? 67  PHE   A CB   1 ? 
ATOM   831  C CG   . PHE   A 1 55  ? 12.781 15.99   7.244   1   20.55  ? 67  PHE   A CG   1 ? 
ATOM   832  C CD1  . PHE   A 1 55  ? 14.113 16.338  7.484   1   19.792 ? 67  PHE   A CD1  1 ? 
ATOM   833  C CD2  . PHE   A 1 55  ? 12.387 15.715  5.934   1   22.656 ? 67  PHE   A CD2  1 ? 
ATOM   834  C CE1  . PHE   A 1 55  ? 15.029 16.381  6.438   1   21.044 ? 67  PHE   A CE1  1 ? 
ATOM   835  C CE2  . PHE   A 1 55  ? 13.298 15.767  4.897   1   23.567 ? 67  PHE   A CE2  1 ? 
ATOM   836  C CZ   . PHE   A 1 55  ? 14.613 16.09   5.152   1   21.994 ? 67  PHE   A CZ   1 ? 
ATOM   837  H H    . PHE   A 1 55  ? 10.684 14.952  10.802  1   19.671 ? 67  PHE   A H    1 c 
ATOM   838  H HA   . PHE   A 1 55  ? 11.537 13.855  8.368   1   17.686 ? 67  PHE   A HA   1 c 
ATOM   839  H HB2  . PHE   A 1 55  ? 10.892 16.192  8.033   1   18.781 ? 67  PHE   A HB2  1 c 
ATOM   840  H HB3  . PHE   A 1 55  ? 12.034 16.601  9.061   1   18.592 ? 67  PHE   A HB3  1 c 
ATOM   841  H HD1  . PHE   A 1 55  ? 14.395 16.529  8.365   1   20.086 ? 67  PHE   A HD1  1 c 
ATOM   842  H HD2  . PHE   A 1 55  ? 11.489 15.486  5.757   1   22.232 ? 67  PHE   A HD2  1 c 
ATOM   843  H HE1  . PHE   A 1 55  ? 15.93  16.608  6.606   1   20.935 ? 67  PHE   A HE1  1 c 
ATOM   844  H HE2  . PHE   A 1 55  ? 13.021 15.571  4.017   1   22.921 ? 67  PHE   A HE2  1 c 
ATOM   845  H HZ   . PHE   A 1 55  ? 15.233 16.126  4.441   1   21.683 ? 67  PHE   A HZ   1 c 
ATOM   846  N N    . ASP   A 1 56  ? 13.85  13.535  9.314   1   14.171 ? 68  ASP   A N    1 ? 
ATOM   847  C CA   . ASP   A 1 56  ? 15.063 13.115  9.975   1   15.386 ? 68  ASP   A CA   1 ? 
ATOM   848  C C    . ASP   A 1 56  ? 16.157 13.048  8.929   1   15.418 ? 68  ASP   A C    1 ? 
ATOM   849  O O    . ASP   A 1 56  ? 15.901 12.682  7.791   1   17.09  ? 68  ASP   A O    1 ? 
ATOM   850  C CB   . ASP   A 1 56  ? 14.879 11.761  10.644  1   16.91  ? 68  ASP   A CB   1 ? 
ATOM   851  C CG   . ASP   A 1 56  ? 16.109 11.214  11.339  1   18.349 ? 68  ASP   A CG   1 ? 
ATOM   852  O OD1  . ASP   A 1 56  ? 16.741 12.005  12.045  1   23.013 ? 68  ASP   A OD1  1 ? 
ATOM   853  O OD2  . ASP   A 1 56  ? 16.381 10.01   11.18   1   20.091 ? 68  ASP   A OD2  1 ? 
ATOM   854  H H    . ASP   A 1 56  ? 13.716 13.257  8.453   1   14.767 ? 68  ASP   A H    1 c 
ATOM   855  H HA   . ASP   A 1 56  ? 15.304 13.786  10.653  1   15.348 ? 68  ASP   A HA   1 c 
ATOM   856  H HB2  . ASP   A 1 56  ? 14.163 11.837  11.309  1   16.793 ? 68  ASP   A HB2  1 c 
ATOM   857  H HB3  . ASP   A 1 56  ? 14.595 11.112  9.967   1   16.938 ? 68  ASP   A HB3  1 c 
ATOM   858  N N    . SER   A 1 57  ? 17.375 13.411  9.319   1   15.735 ? 69  SER   A N    1 ? 
ATOM   859  C CA   . SER   A 1 57  ? 18.459 13.496  8.373   1   17.18  ? 69  SER   A CA   1 ? 
ATOM   860  C C    . SER   A 1 57  ? 19.774 13.261  9.1     1   15.848 ? 69  SER   A C    1 ? 
ATOM   861  O O    . SER   A 1 57  ? 19.987 13.742  10.202  1   20.517 ? 69  SER   A O    1 ? 
ATOM   862  C CB   . SER   A 1 57  ? 18.511 14.866  7.757   1   21.396 ? 69  SER   A CB   1 ? 
ATOM   863  O OG   . SER   A 1 57  ? 19.498 14.85   6.769   1   29.754 ? 69  SER   A OG   1 ? 
ATOM   864  H H    . SER   A 1 57  ? 17.532 13.611  10.197  1   15.838 ? 69  SER   A H    1 c 
ATOM   865  H HA   . SER   A 1 57  ? 18.341 12.813  7.668   1   16.958 ? 69  SER   A HA   1 c 
ATOM   866  H HB2  . SER   A 1 57  ? 17.646 15.087  7.364   1   20.952 ? 69  SER   A HB2  1 c 
ATOM   867  H HB3  . SER   A 1 57  ? 18.73  15.528  8.436   1   21.354 ? 69  SER   A HB3  1 c 
ATOM   868  H HG   . SER   A 1 57  ? 19.533 15.605  6.412   0   29.8   ? 69  SER   A HG   1 c 
ATOM   869  N N    . SER   A 1 58  ? 20.667 12.522  8.46    1   15.685 ? 70  SER   A N    1 ? 
ATOM   870  C CA   . SER   A 1 58  ? 22.051 12.404  8.9     1   16.104 ? 70  SER   A CA   1 ? 
ATOM   871  C C    . SER   A 1 58  ? 22.796 13.718  8.683   1   18.359 ? 70  SER   A C    1 ? 
ATOM   872  O O    . SER   A 1 58  ? 23.816 13.984  9.329   1   19.075 ? 70  SER   A O    1 ? 
ATOM   873  C CB   . SER   A 1 58  ? 22.713 11.275  8.196   1   16.507 ? 70  SER   A CB   1 ? 
ATOM   874  O OG   . SER   A 1 58  ? 22.786 11.472  6.794   1   15.669 ? 70  SER   A OG   1 ? 
ATOM   875  H H    . SER   A 1 58  ? 20.408 12.067  7.711   1   15.515 ? 70  SER   A H    1 c 
ATOM   876  H HA   . SER   A 1 58  ? 22.05  12.206  9.872   1   16.365 ? 70  SER   A HA   1 c 
ATOM   877  H HB2  . SER   A 1 58  ? 23.616 11.165  8.55    1   16.232 ? 70  SER   A HB2  1 c 
ATOM   878  H HB3  . SER   A 1 58  ? 22.219 10.453  8.378   1   16.384 ? 70  SER   A HB3  1 c 
ATOM   879  H HG   . SER   A 1 58  ? 23.166 10.802  6.445   0   15.84  ? 70  SER   A HG   1 c 
ATOM   880  N N    . HIS   A 1 59  ? 22.323 14.527  7.715   1   21.578 ? 71  HIS   A N    1 ? 
ATOM   881  C CA   . HIS   A 1 59  ? 23.012 15.768  7.341   1   24.98  ? 71  HIS   A CA   1 ? 
ATOM   882  C C    . HIS   A 1 59  ? 22.961 16.783  8.472   1   28.748 ? 71  HIS   A C    1 ? 
ATOM   883  O O    . HIS   A 1 59  ? 23.813 17.663  8.519   1   30.887 ? 71  HIS   A O    1 ? 
ATOM   884  C CB   . HIS   A 1 59  ? 22.429 16.366  6.058   1   27.699 ? 71  HIS   A CB   1 ? 
ATOM   885  C CG   . HIS   A 1 59  ? 22.491 15.437  4.888   1   30.863 ? 71  HIS   A CG   1 ? 
ATOM   886  N ND1  . HIS   A 1 59  ? 21.454 14.588  4.511   1   32.974 ? 71  HIS   A ND1  1 ? 
ATOM   887  C CD2  . HIS   A 1 59  ? 23.48  15.249  4.014   1   33.268 ? 71  HIS   A CD2  1 ? 
ATOM   888  C CE1  . HIS   A 1 59  ? 21.825 13.909  3.425   1   31.613 ? 71  HIS   A CE1  1 ? 
ATOM   889  N NE2  . HIS   A 1 59  ? 23.041 14.307  3.094   1   33.912 ? 71  HIS   A NE2  1 ? 
ATOM   890  H H    . HIS   A 1 59  ? 21.557 14.3    7.271   1   21.466 ? 71  HIS   A H    1 c 
ATOM   891  H HA   . HIS   A 1 59  ? 23.961 15.544  7.175   1   25.13  ? 71  HIS   A HA   1 c 
ATOM   892  H HB2  . HIS   A 1 59  ? 21.492 16.611  6.221   1   27.727 ? 71  HIS   A HB2  1 c 
ATOM   893  H HB3  . HIS   A 1 59  ? 22.922 17.187  5.84    1   27.36  ? 71  HIS   A HB3  1 c 
ATOM   894  H HD1  . HIS   A 1 59  ? 20.67  14.507  4.898   0   33.21  ? 71  HIS   A HD1  1 c 
ATOM   895  H HD2  . HIS   A 1 59  ? 24.31  15.685  4       1   32.949 ? 71  HIS   A HD2  1 c 
ATOM   896  H HE1  . HIS   A 1 59  ? 21.309 13.271  2.972   1   32.156 ? 71  HIS   A HE1  1 c 
ATOM   897  H HE2  . HIS   A 1 59  ? 23.528 13.98   2.428   0   34.35  ? 71  HIS   A HE2  1 c 
ATOM   898  N N    . ASP   A 1 60  ? 22.018 16.632  9.408   1   34.175 ? 72  ASP   A N    1 ? 
ATOM   899  C CA   . ASP   A 1 60  ? 21.96  17.513  10.565  1   41.313 ? 72  ASP   A CA   1 ? 
ATOM   900  C C    . ASP   A 1 60  ? 23.192 17.359  11.445  1   41.363 ? 72  ASP   A C    1 ? 
ATOM   901  O O    . ASP   A 1 60  ? 23.697 18.352  11.954  1   51.258 ? 72  ASP   A O    1 ? 
ATOM   902  C CB   . ASP   A 1 60  ? 20.724 17.27   11.412  1   47.669 ? 72  ASP   A CB   1 ? 
ATOM   903  C CG   . ASP   A 1 60  ? 19.46  17.874  10.833  1   60.739 ? 72  ASP   A CG   1 ? 
ATOM   904  O OD1  . ASP   A 1 60  ? 19.275 19.114  11.005  1   72.109 ? 72  ASP   A OD1  1 ? 
ATOM   905  O OD2  . ASP   A 1 60  ? 18.719 17.102  10.156  1   59.109 ? 72  ASP   A OD2  1 ? 
ATOM   906  H H    . ASP   A 1 60  ? 21.386 15.978  9.318   1   33.835 ? 72  ASP   A H    1 c 
ATOM   907  H HA   . ASP   A 1 60  ? 21.924 18.442  10.241  1   40.466 ? 72  ASP   A HA   1 c 
ATOM   908  H HB2  . ASP   A 1 60  ? 20.589 16.305  11.515  1   47.963 ? 72  ASP   A HB2  1 c 
ATOM   909  H HB3  . ASP   A 1 60  ? 20.863 17.653  12.303  1   47.702 ? 72  ASP   A HB3  1 c 
ATOM   910  N N    . ARG   A 1 61  ? 23.65  16.114  11.63   1   41.023 ? 73  ARG   A N    1 ? 
ATOM   911  C CA   . ARG   A 1 61  ? 24.83  15.811  12.43   1   41.773 ? 73  ARG   A CA   1 ? 
ATOM   912  C C    . ARG   A 1 61  ? 26.097 15.965  11.59   1   38.469 ? 73  ARG   A C    1 ? 
ATOM   913  O O    . ARG   A 1 61  ? 27.187 15.918  12.152  1   43.408 ? 73  ARG   A O    1 ? 
ATOM   914  C CB   . ARG   A 1 61  ? 24.73  14.385  12.995  1   43.29  ? 73  ARG   A CB   1 ? 
ATOM   915  H H    . ARG   A 1 61  ? 23.2   15.42   11.241  1   40.704 ? 73  ARG   A H    1 c 
ATOM   916  H HA   . ARG   A 1 61  ? 24.87  16.451  13.185  1   41.455 ? 73  ARG   A HA   1 c 
ATOM   917  H HB2  . ARG   A 1 61  ? 25.622 14.032  13.133  0   43.1   ? 73  ARG   A HB2  1 c 
ATOM   918  H HB3  . ARG   A 1 61  ? 23.768 14.147  13.087  0   43.1   ? 73  ARG   A HB3  1 c 
ATOM   919  N N    . ASN   A 1 62  ? 25.951 16.102  10.255  1   29.351 ? 74  ASN   A N    1 ? 
ATOM   920  C CA   . ASN   A 1 62  ? 27.081 16.256  9.343   1   28.593 ? 74  ASN   A CA   1 ? 
ATOM   921  C C    . ASN   A 1 62  ? 28.061 15.079  9.483   1   24.924 ? 74  ASN   A C    1 ? 
ATOM   922  O O    . ASN   A 1 62  ? 29.269 15.234  9.368   1   23.238 ? 74  ASN   A O    1 ? 
ATOM   923  C CB   . ASN   A 1 62  ? 27.782 17.599  9.545   1   31.685 ? 74  ASN   A CB   1 ? 
ATOM   924  C CG   . ASN   A 1 62  ? 28.706 17.933  8.4     1   32.392 ? 74  ASN   A CG   1 ? 
ATOM   925  O OD1  . ASN   A 1 62  ? 28.358 17.679  7.248   1   36.083 ? 74  ASN   A OD1  1 ? 
ATOM   926  N ND2  . ASN   A 1 62  ? 29.908 18.414  8.686   1   35.718 ? 74  ASN   A ND2  1 ? 
ATOM   927  H H    . ASN   A 1 62  ? 25.11  16.086  9.899   1   30.292 ? 74  ASN   A H    1 c 
ATOM   928  H HA   . ASN   A 1 62  ? 26.726 16.247  8.426   1   28.493 ? 74  ASN   A HA   1 c 
ATOM   929  H HB2  . ASN   A 1 62  ? 27.109 18.303  9.63    1   31.162 ? 74  ASN   A HB2  1 c 
ATOM   930  H HB3  . ASN   A 1 62  ? 28.297 17.57   10.376  1   31.425 ? 74  ASN   A HB3  1 c 
ATOM   931  H HD21 . ASN   A 1 62  ? 30.459 18.644  8.031   1   35.28  ? 74  ASN   A HD21 1 c 
ATOM   932  H HD22 . ASN   A 1 62  ? 30.165 18.502  9.531   1   35.182 ? 74  ASN   A HD22 1 c 
ATOM   933  N N    . GLU   A 1 63  ? 27.535 13.877  9.714   1   24.95  ? 75  GLU   A N    1 ? 
ATOM   934  C CA   . GLU   A 1 63  ? 28.345 12.693  9.846   1   26.32  ? 75  GLU   A CA   1 ? 
ATOM   935  C C    . GLU   A 1 63  ? 27.563 11.49   9.327   1   22.89  ? 75  GLU   A C    1 ? 
ATOM   936  O O    . GLU   A 1 63  ? 26.34  11.429  9.489   1   24.104 ? 75  GLU   A O    1 ? 
ATOM   937  C CB   . GLU   A 1 63  ? 28.675 12.331  11.287  1   32.487 ? 75  GLU   A CB   1 ? 
ATOM   938  C CG   . GLU   A 1 63  ? 29.811 11.333  11.252  1   38.84  ? 75  GLU   A CG   1 ? 
ATOM   939  C CD   . GLU   A 1 63  ? 30.425 11.019  12.584  1   41.545 ? 75  GLU   A CD   1 ? 
ATOM   940  O OE1  . GLU   A 1 63  ? 29.899 11.439  13.626  1   48.876 ? 75  GLU   A OE1  1 ? 
ATOM   941  O OE2  . GLU   A 1 63  ? 31.446 10.33   12.513  1   49.321 ? 75  GLU   A OE2  1 ? 
ATOM   942  H H    . GLU   A 1 63  ? 26.628 13.794  9.786   1   25.67  ? 75  GLU   A H    1 c 
ATOM   943  H HA   . GLU   A 1 63  ? 29.172 12.809  9.318   1   26.347 ? 75  GLU   A HA   1 c 
ATOM   944  H HB2  . GLU   A 1 63  ? 28.936 13.138  11.777  1   31.719 ? 75  GLU   A HB2  1 c 
ATOM   945  H HB3  . GLU   A 1 63  ? 27.884 11.95   11.724  1   31.989 ? 75  GLU   A HB3  1 c 
ATOM   946  H HG2  . GLU   A 1 63  ? 29.483 10.494  10.872  1   37.408 ? 75  GLU   A HG2  1 c 
ATOM   947  H HG3  . GLU   A 1 63  ? 30.517 11.673  10.663  1   37.756 ? 75  GLU   A HG3  1 c 
ATOM   948  N N    . PRO   A 1 64  ? 28.22  10.521  8.645   1   21.734 ? 76  PRO   A N    1 ? 
ATOM   949  C CA   . PRO   A 1 64  ? 27.519 9.35    8.151   1   18.512 ? 76  PRO   A CA   1 ? 
ATOM   950  C C    . PRO   A 1 64  ? 26.907 8.524   9.283   1   15.973 ? 76  PRO   A C    1 ? 
ATOM   951  O O    . PRO   A 1 64  ? 27.405 8.518   10.4    1   17.258 ? 76  PRO   A O    1 ? 
ATOM   952  C CB   . PRO   A 1 64  ? 28.594 8.533   7.431   1   21.875 ? 76  PRO   A CB   1 ? 
ATOM   953  C CG   . PRO   A 1 64  ? 29.711 9.535   7.155   1   23.286 ? 76  PRO   A CG   1 ? 
ATOM   954  C CD   . PRO   A 1 64  ? 29.646 10.503  8.295   1   22.928 ? 76  PRO   A CD   1 ? 
ATOM   955  H HA   . PRO   A 1 64  ? 26.823 9.624   7.52    1   18.695 ? 76  PRO   A HA   1 c 
ATOM   956  H HB2  . PRO   A 1 64  ? 28.915 7.803   7.995   1   21.356 ? 76  PRO   A HB2  1 c 
ATOM   957  H HB3  . PRO   A 1 64  ? 28.247 8.16    6.598   1   21.437 ? 76  PRO   A HB3  1 c 
ATOM   958  H HG2  . PRO   A 1 64  ? 30.581 9.09    7.128   1   23     ? 76  PRO   A HG2  1 c 
ATOM   959  H HG3  . PRO   A 1 64  ? 29.564 9.994   6.303   1   23.029 ? 76  PRO   A HG3  1 c 
ATOM   960  H HD2  . PRO   A 1 64  ? 30.187 10.193  9.042   1   22.928 ? 76  PRO   A HD2  1 c 
ATOM   961  H HD3  . PRO   A 1 64  ? 29.951 11.389  8.021   1   22.938 ? 76  PRO   A HD3  1 c 
ATOM   962  N N    . PHE   A 1 65  ? 25.758 7.929   8.96    1   14.217 ? 77  PHE   A N    1 ? 
ATOM   963  C CA   . PHE   A 1 65  ? 25.123 6.905   9.763   1   13.202 ? 77  PHE   A CA   1 ? 
ATOM   964  C C    . PHE   A 1 65  ? 25.674 5.535   9.375   1   12.144 ? 77  PHE   A C    1 ? 
ATOM   965  O O    . PHE   A 1 65  ? 25.774 5.218   8.193   1   12.013 ? 77  PHE   A O    1 ? 
ATOM   966  C CB   . PHE   A 1 65  ? 23.612 7.037   9.557   1   13.344 ? 77  PHE   A CB   1 ? 
ATOM   967  C CG   . PHE   A 1 65  ? 22.803 6       10.307  1   12.305 ? 77  PHE   A CG   1 ? 
ATOM   968  C CD1  . PHE   A 1 65  ? 22.524 6.165   11.655  1   14.818 ? 77  PHE   A CD1  1 ? 
ATOM   969  C CD2  . PHE   A 1 65  ? 22.344 4.842   9.682   1   13.441 ? 77  PHE   A CD2  1 ? 
ATOM   970  C CE1  . PHE   A 1 65  ? 21.797 5.186   12.342  1   16.09  ? 77  PHE   A CE1  1 ? 
ATOM   971  C CE2  . PHE   A 1 65  ? 21.564 3.921   10.373  1   13.076 ? 77  PHE   A CE2  1 ? 
ATOM   972  C CZ   . PHE   A 1 65  ? 21.323 4.087   11.713  1   14.171 ? 77  PHE   A CZ   1 ? 
ATOM   973  H H    . PHE   A 1 65  ? 25.346 8.179   8.183   1   14.276 ? 77  PHE   A H    1 c 
ATOM   974  H HA   . PHE   A 1 65  ? 25.33  7.078   10.72   1   13.125 ? 77  PHE   A HA   1 c 
ATOM   975  H HB2  . PHE   A 1 65  ? 23.333 7.932   9.849   1   13.094 ? 77  PHE   A HB2  1 c 
ATOM   976  H HB3  . PHE   A 1 65  ? 23.419 6.957   8.596   1   13.228 ? 77  PHE   A HB3  1 c 
ATOM   977  H HD1  . PHE   A 1 65  ? 22.844 6.926   12.112  1   14.243 ? 77  PHE   A HD1  1 c 
ATOM   978  H HD2  . PHE   A 1 65  ? 22.506 4.717   8.761   1   13.078 ? 77  PHE   A HD2  1 c 
ATOM   979  H HE1  . PHE   A 1 65  ? 21.612 5.31    13.259  1   15.347 ? 77  PHE   A HE1  1 c 
ATOM   980  H HE2  . PHE   A 1 65  ? 21.253 3.147   9.932   1   13.244 ? 77  PHE   A HE2  1 c 
ATOM   981  H HZ   . PHE   A 1 65  ? 20.82  3.445   12.189  1   14.267 ? 77  PHE   A HZ   1 c 
ATOM   982  N N    . VAL   A 1 66  ? 26.058 4.754   10.387  1   12.515 ? 78  VAL   A N    1 ? 
ATOM   983  C CA   . VAL   A 1 66  ? 26.768 3.493   10.194  1   12.382 ? 78  VAL   A CA   1 ? 
ATOM   984  C C    . VAL   A 1 66  ? 26.024 2.406   10.936  1   11.49  ? 78  VAL   A C    1 ? 
ATOM   985  O O    . VAL   A 1 66  ? 25.618 2.606   12.082  1   12.385 ? 78  VAL   A O    1 ? 
ATOM   986  C CB   . VAL   A 1 66  ? 28.22  3.615   10.705  1   12.735 ? 78  VAL   A CB   1 ? 
ATOM   987  C CG1  . VAL   A 1 66  ? 28.968 2.313   10.475  1   14.505 ? 78  VAL   A CG1  1 ? 
ATOM   988  C CG2  . VAL   A 1 66  ? 28.928 4.812   10.057  1   13.723 ? 78  VAL   A CG2  1 ? 
ATOM   989  H H    . VAL   A 1 66  ? 25.867 5.016   11.241  1   12.285 ? 78  VAL   A H    1 c 
ATOM   990  H HA   . VAL   A 1 66  ? 26.783 3.28    9.244   1   12.391 ? 78  VAL   A HA   1 c 
ATOM   991  H HB   . VAL   A 1 66  ? 28.176 3.775   11.676  1   13.01  ? 78  VAL   A HB   1 c 
ATOM   992  H HG11 . VAL   A 1 66  ? 28.956 2.095   9.528   1   14.162 ? 78  VAL   A HG11 1 c 
ATOM   993  H HG12 . VAL   A 1 66  ? 28.543 1.598   10.977  1   14.187 ? 78  VAL   A HG12 1 c 
ATOM   994  H HG13 . VAL   A 1 66  ? 29.888 2.412   10.771  1   14.102 ? 78  VAL   A HG13 1 c 
ATOM   995  H HG21 . VAL   A 1 66  ? 29.85  4.848   10.363  1   13.512 ? 78  VAL   A HG21 1 c 
ATOM   996  H HG22 . VAL   A 1 66  ? 28.473 5.634   10.306  1   13.406 ? 78  VAL   A HG22 1 c 
ATOM   997  H HG23 . VAL   A 1 66  ? 28.911 4.714   9.091   1   13.537 ? 78  VAL   A HG23 1 c 
ATOM   998  N N    . PHE   A 1 67  ? 25.819 1.269   10.279  1   11.564 ? 79  PHE   A N    1 ? 
ATOM   999  C CA   . PHE   A 1 67  ? 25.19  0.11    10.866  1   12.82  ? 79  PHE   A CA   1 ? 
ATOM   1000 C C    . PHE   A 1 67  ? 25.673 -1.13   10.116  1   13.122 ? 79  PHE   A C    1 ? 
ATOM   1001 O O    . PHE   A 1 67  ? 26.256 -1.032  9.038   1   14.898 ? 79  PHE   A O    1 ? 
ATOM   1002 C CB   . PHE   A 1 67  ? 23.662 0.236   10.817  1   12.525 ? 79  PHE   A CB   1 ? 
ATOM   1003 C CG   . PHE   A 1 67  ? 23.069 0.052   9.422   1   12.832 ? 79  PHE   A CG   1 ? 
ATOM   1004 C CD1  . PHE   A 1 67  ? 23.027 1.119   8.523   1   14.315 ? 79  PHE   A CD1  1 ? 
ATOM   1005 C CD2  . PHE   A 1 67  ? 22.466 -1.146  9.033   1   13.321 ? 79  PHE   A CD2  1 ? 
ATOM   1006 C CE1  . PHE   A 1 67  ? 22.465 0.959   7.263   1   14.154 ? 79  PHE   A CE1  1 ? 
ATOM   1007 C CE2  . PHE   A 1 67  ? 21.895 -1.293  7.775   1   12.841 ? 79  PHE   A CE2  1 ? 
ATOM   1008 C CZ   . PHE   A 1 67  ? 21.922 -0.257  6.883   1   12.814 ? 79  PHE   A CZ   1 ? 
ATOM   1009 H H    . PHE   A 1 67  ? 26.087 1.217   9.407   1   11.415 ? 79  PHE   A H    1 c 
ATOM   1010 H HA   . PHE   A 1 67  ? 25.475 0.04    11.816  1   12.595 ? 79  PHE   A HA   1 c 
ATOM   1011 H HB2  . PHE   A 1 67  ? 23.274 -0.437  11.419  1   12.579 ? 79  PHE   A HB2  1 c 
ATOM   1012 H HB3  . PHE   A 1 67  ? 23.411 1.124   11.155  1   12.582 ? 79  PHE   A HB3  1 c 
ATOM   1013 H HD1  . PHE   A 1 67  ? 23.414 1.946   8.762   1   13.953 ? 79  PHE   A HD1  1 c 
ATOM   1014 H HD2  . PHE   A 1 67  ? 22.462 -1.875  9.632   1   13.129 ? 79  PHE   A HD2  1 c 
ATOM   1015 H HE1  . PHE   A 1 67  ? 22.468 1.681   6.654   1   13.843 ? 79  PHE   A HE1  1 c 
ATOM   1016 H HE2  . PHE   A 1 67  ? 21.518 -2.122  7.524   1   12.936 ? 79  PHE   A HE2  1 c 
ATOM   1017 H HZ   . PHE   A 1 67  ? 21.532 -0.356  6.029   1   12.933 ? 79  PHE   A HZ   1 c 
ATOM   1018 N N    . SER   A 1 68  ? 25.406 -2.289  10.717  1   13.963 ? 80  SER   A N    1 ? 
ATOM   1019 C CA   . SER   A 1 68  ? 25.769 -3.59   10.194  1   12.744 ? 80  SER   A CA   1 ? 
ATOM   1020 C C    . SER   A 1 68  ? 24.575 -4.19   9.473   1   13.116 ? 80  SER   A C    1 ? 
ATOM   1021 O O    . SER   A 1 68  ? 23.513 -4.331  10.067  1   12.852 ? 80  SER   A O    1 ? 
ATOM   1022 C CB   . SER   A 1 68  ? 26.226 -4.484  11.307  1   15.252 ? 80  SER   A CB   1 ? 
ATOM   1023 O OG   . SER   A 1 68  ? 27.491 -4.091  11.821  1   16.958 ? 80  SER   A OG   1 ? 
ATOM   1024 H H    . SER   A 1 68  ? 24.962 -2.262  11.515  1   13.64  ? 80  SER   A H    1 c 
ATOM   1025 H HA   . SER   A 1 68  ? 26.511 -3.478  9.549   1   13.155 ? 80  SER   A HA   1 c 
ATOM   1026 H HB2  . SER   A 1 68  ? 25.566 -4.465  12.026  1   15.027 ? 80  SER   A HB2  1 c 
ATOM   1027 H HB3  . SER   A 1 68  ? 26.285 -5.401  10.977  1   15.015 ? 80  SER   A HB3  1 c 
ATOM   1028 H HG   . SER   A 1 68  ? 27.711 -4.62   12.439  0   17.13  ? 80  SER   A HG   1 c 
ATOM   1029 N N    . LEU   A 1 69  ? 24.714 -4.465  8.173   1   12.731 ? 81  LEU   A N    1 ? 
ATOM   1030 C CA   . LEU   A 1 69  ? 23.603 -4.935  7.341   1   12.477 ? 81  LEU   A CA   1 ? 
ATOM   1031 C C    . LEU   A 1 69  ? 23.048 -6.263  7.84    1   13.644 ? 81  LEU   A C    1 ? 
ATOM   1032 O O    . LEU   A 1 69  ? 23.794 -7.213  8.051   1   15.203 ? 81  LEU   A O    1 ? 
ATOM   1033 C CB   . LEU   A 1 69  ? 24.084 -5.078  5.906   1   14.149 ? 81  LEU   A CB   1 ? 
ATOM   1034 C CG   . LEU   A 1 69  ? 23.003 -5.266  4.842   1   17.126 ? 81  LEU   A CG   1 ? 
ATOM   1035 C CD1  . LEU   A 1 69  ? 22.187 -3.976  4.692   1   15.434 ? 81  LEU   A CD1  1 ? 
ATOM   1036 C CD2  . LEU   A 1 69  ? 23.634 -5.65   3.503   1   19.403 ? 81  LEU   A CD2  1 ? 
ATOM   1037 H H    . LEU   A 1 69  ? 25.534 -4.36   7.785   1   12.822 ? 81  LEU   A H    1 c 
ATOM   1038 H HA   . LEU   A 1 69  ? 22.885 -4.255  7.378   1   12.889 ? 81  LEU   A HA   1 c 
ATOM   1039 H HB2  . LEU   A 1 69  ? 24.605 -4.274  5.677   1   14.116 ? 81  LEU   A HB2  1 c 
ATOM   1040 H HB3  . LEU   A 1 69  ? 24.697 -5.848  5.864   1   14.205 ? 81  LEU   A HB3  1 c 
ATOM   1041 H HG   . LEU   A 1 69  ? 22.397 -5.997  5.129   1   16.584 ? 81  LEU   A HG   1 c 
ATOM   1042 H HD11 . LEU   A 1 69  ? 21.747 -3.768  5.533   1   15.497 ? 81  LEU   A HD11 1 c 
ATOM   1043 H HD12 . LEU   A 1 69  ? 21.517 -4.095  3.999   1   15.767 ? 81  LEU   A HD12 1 c 
ATOM   1044 H HD13 . LEU   A 1 69  ? 22.778 -3.244  4.448   1   15.782 ? 81  LEU   A HD13 1 c 
ATOM   1045 H HD21 . LEU   A 1 69  ? 24.134 -6.477  3.604   1   18.96  ? 81  LEU   A HD21 1 c 
ATOM   1046 H HD22 . LEU   A 1 69  ? 24.235 -4.943  3.213   1   18.988 ? 81  LEU   A HD22 1 c 
ATOM   1047 H HD23 . LEU   A 1 69  ? 22.937 -5.773  2.838   1   18.921 ? 81  LEU   A HD23 1 c 
ATOM   1048 N N    . GLY   A 1 70  ? 21.711 -6.276  8.071   1   15.467 ? 82  GLY   A N    1 ? 
ATOM   1049 C CA   . GLY   A 1 70  ? 21.013 -7.447  8.562   1   19.161 ? 82  GLY   A CA   1 ? 
ATOM   1050 C C    . GLY   A 1 70  ? 21.113 -7.659  10.077  1   20.603 ? 82  GLY   A C    1 ? 
ATOM   1051 O O    . GLY   A 1 70  ? 20.542 -8.598  10.586  1   27.349 ? 82  GLY   A O    1 ? 
ATOM   1052 H H    . GLY   A 1 70  ? 21.229 -5.516  7.914   1   15.482 ? 82  GLY   A H    1 c 
ATOM   1053 H HA2  . GLY   A 1 70  ? 20.064 -7.373  8.312   1   18.617 ? 82  GLY   A HA2  1 c 
ATOM   1054 H HA3  . GLY   A 1 70  ? 21.377 -8.242  8.105   1   18.676 ? 82  GLY   A HA3  1 c 
ATOM   1055 N N    . LYS   A 1 71  ? 21.839 -6.873  10.874  1   21.268 ? 83  LYS   A N    1 ? 
ATOM   1056 C CA   . LYS   A 1 71  ? 21.963 -7.183  12.296  1   20.821 ? 83  LYS   A CA   1 ? 
ATOM   1057 C C    . LYS   A 1 71  ? 20.793 -6.64   13.142  1   20.768 ? 83  LYS   A C    1 ? 
ATOM   1058 O O    . LYS   A 1 71  ? 20.725 -6.987  14.304  1   21.848 ? 83  LYS   A O    1 ? 
ATOM   1059 C CB   . LYS   A 1 71  ? 23.326 -6.673  12.804  1   24.471 ? 83  LYS   A CB   1 ? 
ATOM   1060 C CG   . LYS   A 1 71  ? 24.191 -7.78   13.394  1   30.13  ? 83  LYS   A CG   1 ? 
ATOM   1061 C CD   . LYS   A 1 71  ? 25.701 -7.729  13.152  1   32.86  ? 83  LYS   A CD   1 ? 
ATOM   1062 C CE   . LYS   A 1 71  ? 26.186 -9.133  13.164  1   33.696 ? 83  LYS   A CE   1 ? 
ATOM   1063 H H    . LYS   A 1 71  ? 22.256 -6.133  10.537  1   20.866 ? 83  LYS   A H    1 c 
ATOM   1064 H HA   . LYS   A 1 71  ? 21.963 -8.169  12.389  1   21.477 ? 83  LYS   A HA   1 c 
ATOM   1065 H HB2  . LYS   A 1 71  ? 23.814 -6.255  12.062  1   24.417 ? 83  LYS   A HB2  1 c 
ATOM   1066 H HB3  . LYS   A 1 71  ? 23.18  -5.987  13.491  1   24.397 ? 83  LYS   A HB3  1 c 
ATOM   1067 H HG2  . LYS   A 1 71  ? 24.039 -7.789  14.364  1   29.316 ? 83  LYS   A HG2  1 c 
ATOM   1068 H HG3  . LYS   A 1 71  ? 23.855 -8.636  13.049  1   29.196 ? 83  LYS   A HG3  1 c 
ATOM   1069 H HD2  . LYS   A 1 71  ? 25.893 -7.316  12.282  1   32.136 ? 83  LYS   A HD2  1 c 
ATOM   1070 H HD3  . LYS   A 1 71  ? 26.143 -7.216  13.864  1   32.578 ? 83  LYS   A HD3  1 c 
ATOM   1071 H HE2  . LYS   A 1 71  ? 27.16  -9.134  13.143  0   33.46  ? 83  LYS   A HE2  1 c 
ATOM   1072 H HE3  . LYS   A 1 71  ? 25.424 -9.735  13.143  0   33.46  ? 83  LYS   A HE3  1 c 
ATOM   1073 N N    . GLY   A 1 72  ? 19.864 -5.847  12.576  1   20.466 ? 84  GLY   A N    1 ? 
ATOM   1074 C CA   . GLY   A 1 72  ? 18.563 -5.572  13.184  1   21.396 ? 84  GLY   A CA   1 ? 
ATOM   1075 C C    . GLY   A 1 72  ? 18.492 -4.186  13.805  1   21.077 ? 84  GLY   A C    1 ? 
ATOM   1076 O O    . GLY   A 1 72  ? 17.525 -3.912  14.478  1   21.241 ? 84  GLY   A O    1 ? 
ATOM   1077 H H    . GLY   A 1 72  ? 20.053 -5.459  11.771  1   20.603 ? 84  GLY   A H    1 c 
ATOM   1078 H HA2  . GLY   A 1 72  ? 17.866 -5.654  12.491  1   21.291 ? 84  GLY   A HA2  1 c 
ATOM   1079 H HA3  . GLY   A 1 72  ? 18.38  -6.25   13.876  1   21.138 ? 84  GLY   A HA3  1 c 
ATOM   1080 N N    . GLN   A 1 73  ? 19.522 -3.347  13.613  1   17.987 ? 85  GLN   A N    1 ? 
ATOM   1081 C CA   . GLN   A 1 73  ? 19.54  -2.005  14.175  1   20.186 ? 85  GLN   A CA   1 ? 
ATOM   1082 C C    . GLN   A 1 73  ? 18.554 -1.116  13.449  1   17.618 ? 85  GLN   A C    1 ? 
ATOM   1083 O O    . GLN   A 1 73  ? 18.027 -0.168  14.07   1   20.328 ? 85  GLN   A O    1 ? 
ATOM   1084 C CB   . GLN   A 1 73  ? 20.946 -1.378  14.085  1   23.552 ? 85  GLN   A CB   1 ? 
ATOM   1085 C CG   . GLN   A 1 73  ? 21.013 0.164   14.089  1   30.508 ? 85  GLN   A CG   1 ? 
ATOM   1086 C CD   . GLN   A 1 73  ? 20.895 0.733   15.483  1   33.053 ? 85  GLN   A CD   1 ? 
ATOM   1087 O OE1  . GLN   A 1 73  ? 21.225 0.039   16.437  1   36.583 ? 85  GLN   A OE1  1 ? 
ATOM   1088 N NE2  . GLN   A 1 73  ? 20.52  1.991   15.644  1   36.018 ? 85  GLN   A NE2  1 ? 
ATOM   1089 H H    . GLN   A 1 73  ? 20.236 -3.622  13.115  1   18.966 ? 85  GLN   A H    1 c 
ATOM   1090 H HA   . GLN   A 1 73  ? 19.275 -2.062  15.128  1   19.777 ? 85  GLN   A HA   1 c 
ATOM   1091 H HB2  . GLN   A 1 73  ? 21.479 -1.716  14.834  1   23.656 ? 85  GLN   A HB2  1 c 
ATOM   1092 H HB3  . GLN   A 1 73  ? 21.369 -1.7    13.262  1   23.875 ? 85  GLN   A HB3  1 c 
ATOM   1093 H HG2  . GLN   A 1 73  ? 21.867 0.45    13.702  1   29.108 ? 85  GLN   A HG2  1 c 
ATOM   1094 H HG3  . GLN   A 1 73  ? 20.297 0.529   13.529  1   29.304 ? 85  GLN   A HG3  1 c 
ATOM   1095 H HE21 . GLN   A 1 73  ? 20.249 2.275   16.441  1   35.966 ? 85  GLN   A HE21 1 c 
ATOM   1096 H HE22 . GLN   A 1 73  ? 20.545 2.548   14.954  1   35.109 ? 85  GLN   A HE22 1 c 
ATOM   1097 N N    . VAL   A 1 74  ? 18.245 -1.466  12.188  1   17.697 ? 86  VAL   A N    1 ? 
ATOM   1098 C CA   . VAL   A 1 74  ? 17.338 -0.652  11.381  1   14.02  ? 86  VAL   A CA   1 ? 
ATOM   1099 C C    . VAL   A 1 74  ? 16.181 -1.507  10.893  1   14.266 ? 86  VAL   A C    1 ? 
ATOM   1100 O O    . VAL   A 1 74  ? 16.23  -2.742  10.962  1   16.209 ? 86  VAL   A O    1 ? 
ATOM   1101 C CB   . VAL   A 1 74  ? 18.093 -0.022  10.212  1   15.321 ? 86  VAL   A CB   1 ? 
ATOM   1102 C CG1  . VAL   A 1 74  ? 19.213 0.922   10.657  1   17.223 ? 86  VAL   A CG1  1 ? 
ATOM   1103 C CG2  . VAL   A 1 74  ? 18.637 -1.071  9.262   1   13.74  ? 86  VAL   A CG2  1 ? 
ATOM   1104 H H    . VAL   A 1 74  ? 18.604 -2.223  11.824  1   16.934 ? 86  VAL   A H    1 c 
ATOM   1105 H HA   . VAL   A 1 74  ? 16.981 0.063   11.94   1   14.611 ? 86  VAL   A HA   1 c 
ATOM   1106 H HB   . VAL   A 1 74  ? 17.439 0.517   9.708   1   15.121 ? 86  VAL   A HB   1 c 
ATOM   1107 H HG11 . VAL   A 1 74  ? 19.859 0.432   11.191  1   16.941 ? 86  VAL   A HG11 1 c 
ATOM   1108 H HG12 . VAL   A 1 74  ? 18.836 1.645   11.187  1   16.829 ? 86  VAL   A HG12 1 c 
ATOM   1109 H HG13 . VAL   A 1 74  ? 19.655 1.293   9.874   1   16.922 ? 86  VAL   A HG13 1 c 
ATOM   1110 H HG21 . VAL   A 1 74  ? 19.111 -0.634  8.535   1   13.893 ? 86  VAL   A HG21 1 c 
ATOM   1111 H HG22 . VAL   A 1 74  ? 17.904 -1.595  8.898   1   14.037 ? 86  VAL   A HG22 1 c 
ATOM   1112 H HG23 . VAL   A 1 74  ? 19.248 -1.657  9.738   1   14.091 ? 86  VAL   A HG23 1 c 
ATOM   1113 N N    . ILE   A 1 75  ? 15.134 -0.816  10.426  1   14.235 ? 87  ILE   A N    1 ? 
ATOM   1114 C CA   . ILE   A 1 75  ? 13.946 -1.463  9.872   1   13.511 ? 87  ILE   A CA   1 ? 
ATOM   1115 C C    . ILE   A 1 75  ? 14.294 -2.4    8.721   1   11.594 ? 87  ILE   A C    1 ? 
ATOM   1116 O O    . ILE   A 1 75  ? 15.296 -2.21   8.009   1   12.603 ? 87  ILE   A O    1 ? 
ATOM   1117 C CB   . ILE   A 1 75  ? 12.88  -0.43   9.458   1   14.806 ? 87  ILE   A CB   1 ? 
ATOM   1118 C CG1  . ILE   A 1 75  ? 13.461 0.588   8.476   1   14.732 ? 87  ILE   A CG1  1 ? 
ATOM   1119 C CG2  . ILE   A 1 75  ? 12.235 0.255   10.676  1   16.622 ? 87  ILE   A CG2  1 ? 
ATOM   1120 C CD1  . ILE   A 1 75  ? 12.423 1.499   7.847   1   15.773 ? 87  ILE   A CD1  1 ? 
ATOM   1121 H H    . ILE   A 1 75  ? 15.157 0.097   10.466  1   14.153 ? 87  ILE   A H    1 c 
ATOM   1122 H HA   . ILE   A 1 75  ? 13.558 -2.007  10.585  1   13.342 ? 87  ILE   A HA   1 c 
ATOM   1123 H HB   . ILE   A 1 75  ? 12.175 -0.916  8.987   1   14.789 ? 87  ILE   A HB   1 c 
ATOM   1124 H HG12 . ILE   A 1 75  ? 14.117 1.141   8.947   1   14.848 ? 87  ILE   A HG12 1 c 
ATOM   1125 H HG13 . ILE   A 1 75  ? 13.93  0.109   7.764   1   14.89  ? 87  ILE   A HG13 1 c 
ATOM   1126 H HG21 . ILE   A 1 75  ? 11.55  0.877   10.378  1   16.277 ? 87  ILE   A HG21 1 c 
ATOM   1127 H HG22 . ILE   A 1 75  ? 12.914 0.738   11.176  1   16.268 ? 87  ILE   A HG22 1 c 
ATOM   1128 H HG23 . ILE   A 1 75  ? 11.83  -0.417  11.25   1   16.291 ? 87  ILE   A HG23 1 c 
ATOM   1129 H HD11 . ILE   A 1 75  ? 11.761 0.961   7.374   1   15.583 ? 87  ILE   A HD11 1 c 
ATOM   1130 H HD12 . ILE   A 1 75  ? 12.861 2.101   7.215   1   15.614 ? 87  ILE   A HD12 1 c 
ATOM   1131 H HD13 . ILE   A 1 75  ? 11.979 2.026   8.538   1   15.612 ? 87  ILE   A HD13 1 c 
ATOM   1132 N N    . LYS   A 1 76  ? 13.441 -3.394  8.507   1   13.233 ? 88  LYS   A N    1 ? 
ATOM   1133 C CA   . LYS   A 1 76  ? 13.598 -4.436  7.491   1   12.953 ? 88  LYS   A CA   1 ? 
ATOM   1134 C C    . LYS   A 1 76  ? 13.833 -3.78   6.132   1   13.872 ? 88  LYS   A C    1 ? 
ATOM   1135 O O    . LYS   A 1 76  ? 14.655 -4.232  5.373   1   14.526 ? 88  LYS   A O    1 ? 
ATOM   1136 C CB   . LYS   A 1 76  ? 12.414 -5.432  7.518   1   16.519 ? 88  LYS   A CB   1 ? 
ATOM   1137 H H    . LYS   A 1 76  ? 12.695 -3.429  9.035   1   12.812 ? 88  LYS   A H    1 c 
ATOM   1138 H HA   . LYS   A 1 76  ? 14.414 -4.951  7.719   1   13.624 ? 88  LYS   A HA   1 c 
ATOM   1139 H HB2  . LYS   A 1 76  ? 12.772 -6.34   7.551   0   16.89  ? 88  LYS   A HB2  1 c 
ATOM   1140 H HB3  . LYS   A 1 76  ? 11.577 -4.917  7.509   0   16.89  ? 88  LYS   A HB3  1 c 
ATOM   1141 N N    . ALA   A 1 77  ? 13.06  -2.756  5.788   1   14.298 ? 89  ALA   A N    1 ? 
ATOM   1142 C CA   . ALA   A 1 77  ? 13.191 -2.102  4.488   1   12.808 ? 89  ALA   A CA   1 ? 
ATOM   1143 C C    . ALA   A 1 77  ? 14.605 -1.598  4.197   1   12.503 ? 89  ALA   A C    1 ? 
ATOM   1144 O O    . ALA   A 1 77  ? 15.034 -1.557  3.034   1   12.684 ? 89  ALA   A O    1 ? 
ATOM   1145 C CB   . ALA   A 1 77  ? 12.223 -0.956  4.363   1   12.992 ? 89  ALA   A CB   1 ? 
ATOM   1146 H H    . ALA   A 1 77  ? 12.428 -2.451  6.373   1   14.187 ? 89  ALA   A H    1 c 
ATOM   1147 H HA   . ALA   A 1 77  ? 12.965 -2.778  3.79    1   13.041 ? 89  ALA   A HA   1 c 
ATOM   1148 H HB1  . ALA   A 1 77  ? 11.312 -1.286  4.446   1   12.874 ? 89  ALA   A HB1  1 c 
ATOM   1149 H HB2  . ALA   A 1 77  ? 12.394 -0.306  5.065   1   13.049 ? 89  ALA   A HB2  1 c 
ATOM   1150 H HB3  . ALA   A 1 77  ? 12.332 -0.529  3.497   1   13.118 ? 89  ALA   A HB3  1 c 
ATOM   1151 N N    . TRP   A 1 78  ? 15.281 -1.141  5.254   1   11.404 ? 90  TRP   A N    1 ? 
ATOM   1152 C CA   . TRP   A 1 78  ? 16.652 -0.709  5.095   1   10.213 ? 90  TRP   A CA   1 ? 
ATOM   1153 C C    . TRP   A 1 78  ? 17.573 -1.887  4.825   1   10.703 ? 90  TRP   A C    1 ? 
ATOM   1154 O O    . TRP   A 1 78  ? 18.467 -1.74   4.001   1   11.611 ? 90  TRP   A O    1 ? 
ATOM   1155 C CB   . TRP   A 1 78  ? 17.152 0.133   6.282   1   10.384 ? 90  TRP   A CB   1 ? 
ATOM   1156 C CG   . TRP   A 1 78  ? 16.923 1.604   6.118   1   10.076 ? 90  TRP   A CG   1 ? 
ATOM   1157 C CD1  . TRP   A 1 78  ? 15.792 2.259   5.723   1   9.938  ? 90  TRP   A CD1  1 ? 
ATOM   1158 C CD2  . TRP   A 1 78  ? 17.932 2.602   6.317   1   9.294  ? 90  TRP   A CD2  1 ? 
ATOM   1159 N NE1  . TRP   A 1 78  ? 16.022 3.601   5.649   1   10.057 ? 90  TRP   A NE1  1 ? 
ATOM   1160 C CE2  . TRP   A 1 78  ? 17.343 3.841   6.013   1   10.479 ? 90  TRP   A CE2  1 ? 
ATOM   1161 C CE3  . TRP   A 1 78  ? 19.277 2.555   6.683   1   10.212 ? 90  TRP   A CE3  1 ? 
ATOM   1162 C CZ2  . TRP   A 1 78  ? 18.06  5.038   6.114   1   11.117 ? 90  TRP   A CZ2  1 ? 
ATOM   1163 C CZ3  . TRP   A 1 78  ? 19.956 3.752   6.804   1   10.838 ? 90  TRP   A CZ3  1 ? 
ATOM   1164 C CH2  . TRP   A 1 78  ? 19.377 4.965   6.472   1   10.833 ? 90  TRP   A CH2  1 ? 
ATOM   1165 H H    . TRP   A 1 78  ? 14.883 -1.092  6.075   1   11.613 ? 90  TRP   A H    1 c 
ATOM   1166 H HA   . TRP   A 1 78  ? 16.682 -0.122  4.292   1   10.129 ? 90  TRP   A HA   1 c 
ATOM   1167 H HB2  . TRP   A 1 78  ? 16.697 -0.17   7.096   1   10.18  ? 90  TRP   A HB2  1 c 
ATOM   1168 H HB3  . TRP   A 1 78  ? 18.113 -0.027  6.397   1   10.273 ? 90  TRP   A HB3  1 c 
ATOM   1169 H HD1  . TRP   A 1 78  ? 14.967 1.848   5.518   1   10.018 ? 90  TRP   A HD1  1 c 
ATOM   1170 H HE1  . TRP   A 1 78  ? 15.435 4.203   5.435   1   10.194 ? 90  TRP   A HE1  1 c 
ATOM   1171 H HE3  . TRP   A 1 78  ? 19.692 1.737   6.896   1   10.089 ? 90  TRP   A HE3  1 c 
ATOM   1172 H HZ2  . TRP   A 1 78  ? 17.657 5.864   5.908   1   10.86  ? 90  TRP   A HZ2  1 c 
ATOM   1173 H HZ3  . TRP   A 1 78  ? 20.864 3.736   7.058   1   10.566 ? 90  TRP   A HZ3  1 c 
ATOM   1174 H HH2  . TRP   A 1 78  ? 19.88  5.756   6.55    1   10.788 ? 90  TRP   A HH2  1 c 
ATOM   1175 N N    . ASP   A 1 79  ? 17.467 -2.991  5.523   1   12.771 ? 91  ASP   A N    1 ? 
ATOM   1176 C CA   . ASP   A 1 79  ? 18.238 -4.192  5.21    1   13.523 ? 91  ASP   A CA   1 ? 
ATOM   1177 C C    . ASP   A 1 79  ? 18.027 -4.641  3.772   1   12.575 ? 91  ASP   A C    1 ? 
ATOM   1178 O O    . ASP   A 1 79  ? 19.025 -4.909  3.064   1   14.247 ? 91  ASP   A O    1 ? 
ATOM   1179 C CB   . ASP   A 1 79  ? 17.978 -5.296  6.21    1   15.308 ? 91  ASP   A CB   1 ? 
ATOM   1180 C CG   . ASP   A 1 79  ? 18.641 -5.118  7.57    1   16.961 ? 91  ASP   A CG   1 ? 
ATOM   1181 O OD1  . ASP   A 1 79  ? 19.658 -4.385  7.654   1   18.415 ? 91  ASP   A OD1  1 ? 
ATOM   1182 O OD2  . ASP   A 1 79  ? 18.14  -5.744  8.526   1   17.178 ? 91  ASP   A OD2  1 ? 
ATOM   1183 H H    . ASP   A 1 79  ? 16.891 -3.012  6.233   1   12.422 ? 91  ASP   A H    1 c 
ATOM   1184 H HA   . ASP   A 1 79  ? 19.189 -3.96   5.304   1   13.355 ? 91  ASP   A HA   1 c 
ATOM   1185 H HB2  . ASP   A 1 79  ? 17.011 -5.368  6.351   1   15.251 ? 91  ASP   A HB2  1 c 
ATOM   1186 H HB3  . ASP   A 1 79  ? 18.289 -6.145  5.832   1   15.222 ? 91  ASP   A HB3  1 c 
ATOM   1187 N N    . ILE   A 1 80  ? 16.776 -4.61   3.299   1   13.776 ? 92  ILE   A N    1 ? 
ATOM   1188 C CA   . ILE   A 1 80  ? 16.429 -5.007  1.938   1   13.799 ? 92  ILE   A CA   1 ? 
ATOM   1189 C C    . ILE   A 1 80  ? 16.996 -4.006  0.945   1   12.973 ? 92  ILE   A C    1 ? 
ATOM   1190 O O    . ILE   A 1 80  ? 17.63  -4.379  -0.028  1   15.06  ? 92  ILE   A O    1 ? 
ATOM   1191 C CB   . ILE   A 1 80  ? 14.898 -5.1    1.793   1   15.061 ? 92  ILE   A CB   1 ? 
ATOM   1192 C CG1  . ILE   A 1 80  ? 14.373 -6.246  2.626   1   16.24  ? 92  ILE   A CG1  1 ? 
ATOM   1193 C CG2  . ILE   A 1 80  ? 14.517 -5.248  0.322   1   16.328 ? 92  ILE   A CG2  1 ? 
ATOM   1194 C CD1  . ILE   A 1 80  ? 12.878 -6.191  2.916   1   17.583 ? 92  ILE   A CD1  1 ? 
ATOM   1195 H H    . ILE   A 1 80  ? 16.105 -4.328  3.852   1   14.087 ? 92  ILE   A H    1 c 
ATOM   1196 H HA   . ILE   A 1 80  ? 16.816 -5.886  1.759   1   13.795 ? 92  ILE   A HA   1 c 
ATOM   1197 H HB   . ILE   A 1 80  ? 14.506 -4.27   2.131   1   15.281 ? 92  ILE   A HB   1 c 
ATOM   1198 H HG12 . ILE   A 1 80  ? 14.568 -7.084  2.16    1   16.297 ? 92  ILE   A HG12 1 c 
ATOM   1199 H HG13 . ILE   A 1 80  ? 14.854 -6.261  3.478   1   16.247 ? 92  ILE   A HG13 1 c 
ATOM   1200 H HG21 . ILE   A 1 80  ? 13.554 -5.351  0.244   1   16.169 ? 92  ILE   A HG21 1 c 
ATOM   1201 H HG22 . ILE   A 1 80  ? 14.955 -6.032  -0.05   1   16.058 ? 92  ILE   A HG22 1 c 
ATOM   1202 H HG23 . ILE   A 1 80  ? 14.795 -4.459  -0.171  1   16.085 ? 92  ILE   A HG23 1 c 
ATOM   1203 H HD11 . ILE   A 1 80  ? 12.67  -5.368  3.398   1   17.41  ? 92  ILE   A HD11 1 c 
ATOM   1204 H HD12 . ILE   A 1 80  ? 12.624 -6.959  3.462   1   17.489 ? 92  ILE   A HD12 1 c 
ATOM   1205 H HD13 . ILE   A 1 80  ? 12.379 -6.21   2.078   1   17.391 ? 92  ILE   A HD13 1 c 
ATOM   1206 N N    . GLY   A 1 81  ? 16.769 -2.723  1.201   1   13.214 ? 93  GLY   A N    1 ? 
ATOM   1207 C CA   . GLY   A 1 81  ? 17.101 -1.681  0.234   1   12.056 ? 93  GLY   A CA   1 ? 
ATOM   1208 C C    . GLY   A 1 81  ? 18.594 -1.405  0.118   1   11.877 ? 93  GLY   A C    1 ? 
ATOM   1209 O O    . GLY   A 1 81  ? 19.133 -1.355  -0.995  1   11.966 ? 93  GLY   A O    1 ? 
ATOM   1210 H H    . GLY   A 1 81  ? 16.394 -2.482  1.999   1   13.184 ? 93  GLY   A H    1 c 
ATOM   1211 H HA2  . GLY   A 1 81  ? 16.753 -1.947  -0.649  1   12.277 ? 93  GLY   A HA2  1 c 
ATOM   1212 H HA3  . GLY   A 1 81  ? 16.64  -0.85   0.497   1   12.18  ? 93  GLY   A HA3  1 c 
ATOM   1213 N N    . VAL   A 1 82  ? 19.251 -1.241  1.262   1   10.85  ? 94  VAL   A N    1 ? 
ATOM   1214 C CA   . VAL   A 1 82  ? 20.665 -0.94   1.21    1   11.43  ? 94  VAL   A CA   1 ? 
ATOM   1215 C C    . VAL   A 1 82  ? 21.43  -2.116  0.596   1   11.622 ? 94  VAL   A C    1 ? 
ATOM   1216 O O    . VAL   A 1 82  ? 22.412 -1.882  -0.13   1   11.826 ? 94  VAL   A O    1 ? 
ATOM   1217 C CB   . VAL   A 1 82  ? 21.215 -0.481  2.568   1   12.147 ? 94  VAL   A CB   1 ? 
ATOM   1218 C CG1  . VAL   A 1 82  ? 22.72  -0.278  2.483   1   13.146 ? 94  VAL   A CG1  1 ? 
ATOM   1219 C CG2  . VAL   A 1 82  ? 20.511 0.807   2.947   1   13.718 ? 94  VAL   A CG2  1 ? 
ATOM   1220 H H    . VAL   A 1 82  ? 18.827 -1.319  2.068   1   11.239 ? 94  VAL   A H    1 c 
ATOM   1221 H HA   . VAL   A 1 82  ? 20.769 -0.186  0.597   1   11.508 ? 94  VAL   A HA   1 c 
ATOM   1222 H HB   . VAL   A 1 82  ? 21.011 -1.179  3.234   1   12.248 ? 94  VAL   A HB   1 c 
ATOM   1223 H HG11 . VAL   A 1 82  ? 22.923 0.365   1.782   1   13.144 ? 94  VAL   A HG11 1 c 
ATOM   1224 H HG12 . VAL   A 1 82  ? 23.155 -1.123  2.282   1   13.065 ? 94  VAL   A HG12 1 c 
ATOM   1225 H HG13 . VAL   A 1 82  ? 23.05  0.058   3.334   1   12.977 ? 94  VAL   A HG13 1 c 
ATOM   1226 H HG21 . VAL   A 1 82  ? 20.852 1.123   3.8     1   13.368 ? 94  VAL   A HG21 1 c 
ATOM   1227 H HG22 . VAL   A 1 82  ? 19.555 0.647   3.021   1   13.463 ? 94  VAL   A HG22 1 c 
ATOM   1228 H HG23 . VAL   A 1 82  ? 20.675 1.48    2.265   1   13.523 ? 94  VAL   A HG23 1 c 
ATOM   1229 N N    . ALA   A 1 83  ? 20.978 -3.354  0.805   1   11.364 ? 95  ALA   A N    1 ? 
ATOM   1230 C CA   . ALA   A 1 83  ? 21.648 -4.51   0.222   1   13.572 ? 95  ALA   A CA   1 ? 
ATOM   1231 C C    . ALA   A 1 83  ? 21.643 -4.418  -1.31   1   13.973 ? 95  ALA   A C    1 ? 
ATOM   1232 O O    . ALA   A 1 83  ? 22.491 -5.059  -1.934  1   15.446 ? 95  ALA   A O    1 ? 
ATOM   1233 C CB   . ALA   A 1 83  ? 20.993 -5.801  0.675   1   15.357 ? 95  ALA   A CB   1 ? 
ATOM   1234 H H    . ALA   A 1 83  ? 20.24  -3.486  1.328   1   11.759 ? 95  ALA   A H    1 c 
ATOM   1235 H HA   . ALA   A 1 83  ? 22.597 -4.505  0.528   1   13.409 ? 95  ALA   A HA   1 c 
ATOM   1236 H HB1  . ALA   A 1 83  ? 21.036 -5.868  1.644   1   15.035 ? 95  ALA   A HB1  1 c 
ATOM   1237 H HB2  . ALA   A 1 83  ? 20.062 -5.811  0.395   1   15.015 ? 95  ALA   A HB2  1 c 
ATOM   1238 H HB3  . ALA   A 1 83  ? 21.454 -6.559  0.28    1   15.003 ? 95  ALA   A HB3  1 c 
ATOM   1239 N N    . THR   A 1 84  ? 20.697 -3.668  -1.933  1   12.664 ? 96  THR   A N    1 ? 
ATOM   1240 C CA   . THR   A 1 84  ? 20.681 -3.58   -3.398  1   13.296 ? 96  THR   A CA   1 ? 
ATOM   1241 C C    . THR   A 1 84  ? 21.592 -2.491  -3.961  1   12.201 ? 96  THR   A C    1 ? 
ATOM   1242 O O    . THR   A 1 84  ? 21.672 -2.373  -5.191  1   14.58  ? 96  THR   A O    1 ? 
ATOM   1243 C CB   . THR   A 1 84  ? 19.265 -3.334  -3.911  1   15.626 ? 96  THR   A CB   1 ? 
ATOM   1244 O OG1  . THR   A 1 84  ? 18.814 -2.023  -3.556  1   15.567 ? 96  THR   A OG1  1 ? 
ATOM   1245 C CG2  . THR   A 1 84  ? 18.295 -4.364  -3.366  1   16.285 ? 96  THR   A CG2  1 ? 
ATOM   1246 H H    . THR   A 1 84  ? 20.064 -3.223  -1.448  1   12.905 ? 96  THR   A H    1 c 
ATOM   1247 H HA   . THR   A 1 84  ? 20.982 -4.444  -3.754  1   13.309 ? 96  THR   A HA   1 c 
ATOM   1248 H HB   . THR   A 1 84  ? 19.268 -3.412  -4.895  1   15.384 ? 96  THR   A HB   1 c 
ATOM   1249 H HG1  . THR   A 1 84  ? 18.819 -1.947  -2.697  0   15.74  ? 96  THR   A HG1  1 c 
ATOM   1250 H HG21 . THR   A 1 84  ? 17.408 -4.197  -3.727  1   16.143 ? 96  THR   A HG21 1 c 
ATOM   1251 H HG22 . THR   A 1 84  ? 18.265 -4.304  -2.398  1   16.148 ? 96  THR   A HG22 1 c 
ATOM   1252 H HG23 . THR   A 1 84  ? 18.586 -5.254  -3.626  1   16.162 ? 96  THR   A HG23 1 c 
ATOM   1253 N N    . MET   A 1 85  ? 22.22  -1.67   -3.117  1   11.529 ? 97  MET   A N    1 ? 
ATOM   1254 C CA   . MET   A 1 85  ? 22.873 -0.438  -3.559  1   11.826 ? 97  MET   A CA   1 ? 
ATOM   1255 C C    . MET   A 1 85  ? 24.364 -0.634  -3.761  1   11.91  ? 97  MET   A C    1 ? 
ATOM   1256 O O    . MET   A 1 85  ? 25.016 -1.407  -3.064  1   12.197 ? 97  MET   A O    1 ? 
ATOM   1257 C CB   . MET   A 1 85  ? 22.696 0.644   -2.504  1   12.405 ? 97  MET   A CB   1 ? 
ATOM   1258 C CG   . MET   A 1 85  ? 21.214 1.034   -2.35   1   12.771 ? 97  MET   A CG   1 ? 
ATOM   1259 S SD   . MET   A 1 85  ? 20.909 2.343   -1.142  1   13.354 ? 97  MET   A SD   1 ? 
ATOM   1260 C CE   . MET   A 1 85  ? 21.621 3.744   -2.012  1   13.912 ? 97  MET   A CE   1 ? 
ATOM   1261 H H    . MET   A 1 85  ? 22.249 -1.882  -2.229  1   11.612 ? 97  MET   A H    1 c 
ATOM   1262 H HA   . MET   A 1 85  ? 22.46  -0.146  -4.409  1   11.955 ? 97  MET   A HA   1 c 
ATOM   1263 H HB2  . MET   A 1 85  ? 23.039 0.316   -1.645  1   12.329 ? 97  MET   A HB2  1 c 
ATOM   1264 H HB3  . MET   A 1 85  ? 23.218 1.434   -2.76   1   12.383 ? 97  MET   A HB3  1 c 
ATOM   1265 H HG2  . MET   A 1 85  ? 20.872 1.328   -3.216  1   12.799 ? 97  MET   A HG2  1 c 
ATOM   1266 H HG3  . MET   A 1 85  ? 20.705 0.245   -2.083  1   12.755 ? 97  MET   A HG3  1 c 
ATOM   1267 H HE1  . MET   A 1 85  ? 21.543 4.542   -1.458  1   13.831 ? 97  MET   A HE1  1 c 
ATOM   1268 H HE2  . MET   A 1 85  ? 22.562 3.568   -2.195  1   13.725 ? 97  MET   A HE2  1 c 
ATOM   1269 H HE3  . MET   A 1 85  ? 21.145 3.881   -2.852  1   13.781 ? 97  MET   A HE3  1 c 
ATOM   1270 N N    . LYS   A 1 86  ? 24.867 0.104   -4.743  1   13.167 ? 98  LYS   A N    1 ? 
ATOM   1271 C CA   . LYS   A 1 86  ? 26.287 0.181   -4.989  1   13.333 ? 98  LYS   A CA   1 ? 
ATOM   1272 C C    . LYS   A 1 86  ? 26.888 1.392   -4.275  1   13.241 ? 98  LYS   A C    1 ? 
ATOM   1273 O O    . LYS   A 1 86  ? 26.206 2.338   -3.943  1   11.663 ? 98  LYS   A O    1 ? 
ATOM   1274 C CB   . LYS   A 1 86  ? 26.534 0.301   -6.506  1   15.905 ? 98  LYS   A CB   1 ? 
ATOM   1275 C CG   . LYS   A 1 86  ? 26.146 -0.935  -7.342  1   18.055 ? 98  LYS   A CG   1 ? 
ATOM   1276 C CD   . LYS   A 1 86  ? 26.39  -0.7    -8.832  1   22.075 ? 98  LYS   A CD   1 ? 
ATOM   1277 C CE   . LYS   A 1 86  ? 26.003 -1.856  -9.69   1   25.103 ? 98  LYS   A CE   1 ? 
ATOM   1278 N NZ   . LYS   A 1 86  ? 24.549 -1.961  -9.643  1   28.918 ? 98  LYS   A NZ   1 ? 
ATOM   1279 H H    . LYS   A 1 86  ? 24.303 0.58    -5.282  1   13.01  ? 98  LYS   A H    1 c 
ATOM   1280 H HA   . LYS   A 1 86  ? 26.718 -0.644  -4.65   1   13.632 ? 98  LYS   A HA   1 c 
ATOM   1281 H HB2  . LYS   A 1 86  ? 26.029 1.072   -6.843  1   15.71  ? 98  LYS   A HB2  1 c 
ATOM   1282 H HB3  . LYS   A 1 86  ? 27.487 0.485   -6.653  1   15.805 ? 98  LYS   A HB3  1 c 
ATOM   1283 H HG2  . LYS   A 1 86  ? 26.677 -1.704  -7.04   1   18.261 ? 98  LYS   A HG2  1 c 
ATOM   1284 H HG3  . LYS   A 1 86  ? 25.198 -1.136  -7.19   1   18.199 ? 98  LYS   A HG3  1 c 
ATOM   1285 H HD2  . LYS   A 1 86  ? 25.882 0.092   -9.114  1   21.691 ? 98  LYS   A HD2  1 c 
ATOM   1286 H HD3  . LYS   A 1 86  ? 27.342 -0.507  -8.967  1   21.895 ? 98  LYS   A HD3  1 c 
ATOM   1287 H HE2  . LYS   A 1 86  ? 26.295 -1.715  -10.608 1   25.046 ? 98  LYS   A HE2  1 c 
ATOM   1288 H HE3  . LYS   A 1 86  ? 26.399 -2.678  -9.352  1   25.24  ? 98  LYS   A HE3  1 c 
ATOM   1289 H HZ1  . LYS   A 1 86  ? 24.17  -1.178  -9.898  1   27.954 ? 98  LYS   A HZ1  1 c 
ATOM   1290 H HZ2  . LYS   A 1 86  ? 24.273 -2.17   -8.807  1   28.104 ? 98  LYS   A HZ2  1 c 
ATOM   1291 H HZ3  . LYS   A 1 86  ? 24.279 -2.615  -10.209 1   28.061 ? 98  LYS   A HZ3  1 c 
ATOM   1292 N N    A LYS   A 1 87  ? 28.215 1.377   -4.123  0.5 14.098 ? 99  LYS   A N    1 ? 
ATOM   1293 N N    B LYS   A 1 87  ? 28.22  1.379   -4.13   0.5 14.248 ? 99  LYS   A N    1 ? 
ATOM   1294 C CA   A LYS   A 1 87  ? 28.932 2.495   -3.557  0.5 14.694 ? 99  LYS   A CA   1 ? 
ATOM   1295 C CA   B LYS   A 1 87  ? 28.941 2.497   -3.56   0.5 14.901 ? 99  LYS   A CA   1 ? 
ATOM   1296 C C    A LYS   A 1 87  ? 28.71  3.715   -4.453  0.5 14.69  ? 99  LYS   A C    1 ? 
ATOM   1297 C C    B LYS   A 1 87  ? 28.711 3.716   -4.454  0.5 14.706 ? 99  LYS   A C    1 ? 
ATOM   1298 O O    A LYS   A 1 87  ? 28.92  3.658   -5.66   0.5 14.963 ? 99  LYS   A O    1 ? 
ATOM   1299 O O    B LYS   A 1 87  ? 28.919 3.657   -5.661  0.5 14.941 ? 99  LYS   A O    1 ? 
ATOM   1300 C CB   A LYS   A 1 87  ? 30.403 2.118   -3.391  0.5 16.831 ? 99  LYS   A CB   1 ? 
ATOM   1301 C CB   B LYS   A 1 87  ? 30.436 2.204   -3.401  0.5 17.206 ? 99  LYS   A CB   1 ? 
ATOM   1302 C CG   A LYS   A 1 87  ? 31.223 3.152   -2.674  0.5 17.914 ? 99  LYS   A CG   1 ? 
ATOM   1303 C CG   B LYS   A 1 87  ? 30.818 1.195   -2.331  0.5 18.422 ? 99  LYS   A CG   1 ? 
ATOM   1304 C CD   A LYS   A 1 87  ? 32.707 2.838   -2.536  0.5 21.099 ? 99  LYS   A CD   1 ? 
ATOM   1305 C CD   B LYS   A 1 87  ? 32.308 0.94    -2.158  0.5 19.181 ? 99  LYS   A CD   1 ? 
ATOM   1306 C CE   A LYS   A 1 87  ? 33.487 3.92    -1.841  0.5 21.836 ? 99  LYS   A CE   1 ? 
ATOM   1307 C CE   B LYS   A 1 87  ? 32.607 -0.329  -1.407  0.5 20.496 ? 99  LYS   A CE   1 ? 
ATOM   1308 N NZ   A LYS   A 1 87  ? 34.856 3.841   -2.353  0.5 23.798 ? 99  LYS   A NZ   1 ? 
ATOM   1309 N NZ   B LYS   A 1 87  ? 33.972 -0.356  -0.862  0.5 19.716 ? 99  LYS   A NZ   1 ? 
ATOM   1310 H H    A LYS   A 1 87  ? 28.687 0.639   -4.383  0.5 14.081 ? 99  LYS   A H    1 c 
ATOM   1311 H H    B LYS   A 1 87  ? 28.692 0.645   -4.401  0.5 14.209 ? 99  LYS   A H    1 c 
ATOM   1312 H HA   A LYS   A 1 87  ? 28.551 2.687   -2.662  0.5 14.747 ? 99  LYS   A HA   1 c 
ATOM   1313 H HA   B LYS   A 1 87  ? 28.559 2.686   -2.665  0.5 14.901 ? 99  LYS   A HA   1 c 
ATOM   1314 H HB2  A LYS   A 1 87  ? 30.461 1.274   -2.895  0.5 16.562 ? 99  LYS   A HB2  1 c 
ATOM   1315 H HB2  B LYS   A 1 87  ? 30.776 1.876   -4.261  0.5 16.962 ? 99  LYS   A HB2  1 c 
ATOM   1316 H HB3  A LYS   A 1 87  ? 30.794 1.971   -4.279  0.5 16.595 ? 99  LYS   A HB3  1 c 
ATOM   1317 H HB3  B LYS   A 1 87  ? 30.897 3.047   -3.205  0.5 16.941 ? 99  LYS   A HB3  1 c 
ATOM   1318 H HG2  A LYS   A 1 87  ? 31.126 4.005   -3.15   0.5 18.122 ? 99  LYS   A HG2  1 c 
ATOM   1319 H HG2  B LYS   A 1 87  ? 30.453 1.507   -1.474  0.5 18.296 ? 99  LYS   A HG2  1 c 
ATOM   1320 H HG3  A LYS   A 1 87  ? 30.844 3.272   -1.777  0.5 18.166 ? 99  LYS   A HG3  1 c 
ATOM   1321 H HG3  B LYS   A 1 87  ? 30.38  0.346   -2.544  0.5 18.319 ? 99  LYS   A HG3  1 c 
ATOM   1322 H HD2  A LYS   A 1 87  ? 32.809 2       -2.033  0.5 20.741 ? 99  LYS   A HD2  1 c 
ATOM   1323 H HD2  B LYS   A 1 87  ? 32.728 0.894   -3.044  0.5 19.209 ? 99  LYS   A HD2  1 c 
ATOM   1324 H HD3  A LYS   A 1 87  ? 33.086 2.697   -3.43   0.5 20.723 ? 99  LYS   A HD3  1 c 
ATOM   1325 H HD3  B LYS   A 1 87  ? 32.706 1.698   -1.676  0.5 19.304 ? 99  LYS   A HD3  1 c 
ATOM   1326 H HE2  A LYS   A 1 87  ? 33.11  4.795   -2.039  0.5 22.208 ? 99  LYS   A HE2  1 c 
ATOM   1327 H HE2  B LYS   A 1 87  ? 31.972 -0.428  -0.676  0.5 20.213 ? 99  LYS   A HE2  1 c 
ATOM   1328 H HE3  A LYS   A 1 87  ? 33.485 3.781   -0.877  0.5 22.181 ? 99  LYS   A HE3  1 c 
ATOM   1329 H HE3  B LYS   A 1 87  ? 32.496 -1.087  -2.008  0.5 20.088 ? 99  LYS   A HE3  1 c 
ATOM   1330 H HZ1  A LYS   A 1 87  ? 34.855 3.961   -3.251  0.5 23.606 ? 99  LYS   A HZ1  1 c 
ATOM   1331 H HZ1  B LYS   A 1 87  ? 34.077 0.32    -0.269  0.5 19.957 ? 99  LYS   A HZ1  1 c 
ATOM   1332 H HZ2  A LYS   A 1 87  ? 35.209 3.03    -2.16   0.5 23.558 ? 99  LYS   A HZ2  1 c 
ATOM   1333 H HZ2  B LYS   A 1 87  ? 34.573 -0.26   -1.533  0.5 19.674 ? 99  LYS   A HZ2  1 c 
ATOM   1334 H HZ3  A LYS   A 1 87  ? 35.363 4.486   -1.968  0.5 23.557 ? 99  LYS   A HZ3  1 c 
ATOM   1335 H HZ3  B LYS   A 1 87  ? 34.118 -1.146  -0.442  0.5 19.814 ? 99  LYS   A HZ3  1 c 
ATOM   1336 N N    . GLY   A 1 88  ? 28.302 4.823   -3.839  1   13.942 ? 100 GLY   A N    1 ? 
ATOM   1337 C CA   . GLY   A 1 88  ? 28.037 6.054   -4.55   1   14.714 ? 100 GLY   A CA   1 ? 
ATOM   1338 C C    . GLY   A 1 88  ? 26.618 6.202   -5.07   1   14.987 ? 100 GLY   A C    1 ? 
ATOM   1339 O O    . GLY   A 1 88  ? 26.215 7.324   -5.449  1   16.015 ? 100 GLY   A O    1 ? 
ATOM   1340 H H    A GLY   A 1 88  ? 28.185 4.808   -2.933  0.5 14.25  ? 100 GLY   A H    1 c 
ATOM   1341 H H    B GLY   A 1 88  ? 28.184 4.808   -2.933  0.5 14.273 ? 100 GLY   A H    1 c 
ATOM   1342 H HA2  . GLY   A 1 88  ? 28.229 6.806   -3.944  1   14.55  ? 100 GLY   A HA2  1 c 
ATOM   1343 H HA3  . GLY   A 1 88  ? 28.663 6.122   -5.309  1   14.452 ? 100 GLY   A HA3  1 c 
ATOM   1344 N N    . GLU   A 1 89  ? 25.806 5.134   -4.92   1   13.233 ? 101 GLU   A N    1 ? 
ATOM   1345 C CA   . GLU   A 1 89  ? 24.429 5.206   -5.358  1   13.06  ? 101 GLU   A CA   1 ? 
ATOM   1346 C C    . GLU   A 1 89  ? 23.61  6.092   -4.42   1   13.754 ? 101 GLU   A C    1 ? 
ATOM   1347 O O    . GLU   A 1 89  ? 23.803 6.084   -3.194  1   11.829 ? 101 GLU   A O    1 ? 
ATOM   1348 C CB   . GLU   A 1 89  ? 23.875 3.785   -5.381  1   13.11  ? 101 GLU   A CB   1 ? 
ATOM   1349 C CG   . GLU   A 1 89  ? 22.459 3.66    -5.925  1   12.627 ? 101 GLU   A CG   1 ? 
ATOM   1350 C CD   . GLU   A 1 89  ? 22.011 2.226   -6.043  1   13.946 ? 101 GLU   A CD   1 ? 
ATOM   1351 O OE1  . GLU   A 1 89  ? 22.841 1.341   -6.491  1   14.658 ? 101 GLU   A OE1  1 ? 
ATOM   1352 O OE2  . GLU   A 1 89  ? 20.823 2.006   -5.655  1   13.731 ? 101 GLU   A OE2  1 ? 
ATOM   1353 H H    . GLU   A 1 89  ? 26.113 4.364   -4.537  1   13.571 ? 101 GLU   A H    1 c 
ATOM   1354 H HA   . GLU   A 1 89  ? 24.41  5.585   -6.27   1   13.157 ? 101 GLU   A HA   1 c 
ATOM   1355 H HB2  . GLU   A 1 89  ? 24.472 3.227   -5.923  1   13.066 ? 101 GLU   A HB2  1 c 
ATOM   1356 H HB3  . GLU   A 1 89  ? 23.886 3.431   -4.468  1   13.112 ? 101 GLU   A HB3  1 c 
ATOM   1357 H HG2  . GLU   A 1 89  ? 21.84  4.137   -5.333  1   12.719 ? 101 GLU   A HG2  1 c 
ATOM   1358 H HG3  . GLU   A 1 89  ? 22.414 4.077   -6.81   1   12.845 ? 101 GLU   A HG3  1 c 
ATOM   1359 N N    . ILE   A 1 90  ? 22.666 6.836   -5.01   1   13.479 ? 102 ILE   A N    1 ? 
ATOM   1360 C CA   . ILE   A 1 90  ? 21.592 7.451   -4.253  1   13.494 ? 102 ILE   A CA   1 ? 
ATOM   1361 C C    . ILE   A 1 90  ? 20.27  6.862   -4.731  1   13.954 ? 102 ILE   A C    1 ? 
ATOM   1362 O O    . ILE   A 1 90  ? 20.036 6.762   -5.918  1   14.186 ? 102 ILE   A O    1 ? 
ATOM   1363 C CB   . ILE   A 1 90  ? 21.593 8.989   -4.397  1   14.146 ? 102 ILE   A CB   1 ? 
ATOM   1364 C CG1  . ILE   A 1 90  ? 22.919 9.606   -3.979  1   16.246 ? 102 ILE   A CG1  1 ? 
ATOM   1365 C CG2  . ILE   A 1 90  ? 20.417 9.573   -3.655  1   15.204 ? 102 ILE   A CG2  1 ? 
ATOM   1366 C CD1  . ILE   A 1 90  ? 22.997 11.1    -4.237  1   18.307 ? 102 ILE   A CD1  1 ? 
ATOM   1367 H H    . ILE   A 1 90  ? 22.696 6.966   -5.914  1   13.439 ? 102 ILE   A H    1 c 
ATOM   1368 H HA   . ILE   A 1 90  ? 21.711 7.231   -3.312  1   13.721 ? 102 ILE   A HA   1 c 
ATOM   1369 H HB   . ILE   A 1 90  ? 21.469 9.19    -5.346  1   14.454 ? 102 ILE   A HB   1 c 
ATOM   1370 H HG12 . ILE   A 1 90  ? 23.055 9.443   -3.024  1   16.125 ? 102 ILE   A HG12 1 c 
ATOM   1371 H HG13 . ILE   A 1 90  ? 23.643 9.164   -4.466  1   16.205 ? 102 ILE   A HG13 1 c 
ATOM   1372 H HG21 . ILE   A 1 90  ? 20.417 10.54   -3.748  1   14.911 ? 102 ILE   A HG21 1 c 
ATOM   1373 H HG22 . ILE   A 1 90  ? 20.478 9.341   -2.713  1   15.066 ? 102 ILE   A HG22 1 c 
ATOM   1374 H HG23 . ILE   A 1 90  ? 19.589 9.218   -4.02   1   15.078 ? 102 ILE   A HG23 1 c 
ATOM   1375 H HD11 . ILE   A 1 90  ? 22.848 11.275  -5.186  1   17.961 ? 102 ILE   A HD11 1 c 
ATOM   1376 H HD12 . ILE   A 1 90  ? 23.882 11.425  -3.984  1   17.832 ? 102 ILE   A HD12 1 c 
ATOM   1377 H HD13 . ILE   A 1 90  ? 22.32  11.567  -3.712  1   17.919 ? 102 ILE   A HD13 1 c 
ATOM   1378 N N    . ALA   A 1 91  ? 19.446 6.432   -3.771  1   13.336 ? 103 ALA   A N    1 ? 
ATOM   1379 C CA   . ALA   A 1 91  ? 18.156 5.842   -4.072  1   12.332 ? 103 ALA   A CA   1 ? 
ATOM   1380 C C    . ALA   A 1 91  ? 17.068 6.475   -3.208  1   11.776 ? 103 ALA   A C    1 ? 
ATOM   1381 O O    . ALA   A 1 91  ? 17.324 6.95    -2.111  1   11.157 ? 103 ALA   A O    1 ? 
ATOM   1382 C CB   . ALA   A 1 91  ? 18.183 4.334   -3.812  1   11.983 ? 103 ALA   A CB   1 ? 
ATOM   1383 H H    . ALA   A 1 91  ? 19.697 6.512   -2.896  1   13.244 ? 103 ALA   A H    1 c 
ATOM   1384 H HA   . ALA   A 1 91  ? 17.942 6.011   -5.029  1   12.38  ? 103 ALA   A HA   1 c 
ATOM   1385 H HB1  . ALA   A 1 91  ? 18.858 3.917   -4.373  1   11.979 ? 103 ALA   A HB1  1 c 
ATOM   1386 H HB2  . ALA   A 1 91  ? 18.395 4.166   -2.878  1   12.061 ? 103 ALA   A HB2  1 c 
ATOM   1387 H HB3  . ALA   A 1 91  ? 17.314 3.95    -4.017  1   11.989 ? 103 ALA   A HB3  1 c 
ATOM   1388 N N    . HIS   A 1 92  ? 15.867 6.438   -3.756  1   11.726 ? 104 HIS   A N    1 ? 
ATOM   1389 C CA   . HIS   A 1 92  ? 14.649 6.709   -3.031  1   12.784 ? 104 HIS   A CA   1 ? 
ATOM   1390 C C    . HIS   A 1 92  ? 13.896 5.412   -2.762  1   12.123 ? 104 HIS   A C    1 ? 
ATOM   1391 O O    . HIS   A 1 92  ? 13.773 4.587   -3.657  1   13.273 ? 104 HIS   A O    1 ? 
ATOM   1392 C CB   . HIS   A 1 92  ? 13.782 7.675   -3.843  1   13.449 ? 104 HIS   A CB   1 ? 
ATOM   1393 C CG   . HIS   A 1 92  ? 14.322 9.074   -3.901  1   12.944 ? 104 HIS   A CG   1 ? 
ATOM   1394 N ND1  . HIS   A 1 92  ? 13.746 10.088  -4.649  1   14.322 ? 104 HIS   A ND1  1 ? 
ATOM   1395 C CD2  . HIS   A 1 92  ? 15.393 9.626   -3.244  1   13.408 ? 104 HIS   A CD2  1 ? 
ATOM   1396 C CE1  . HIS   A 1 92  ? 14.432 11.227  -4.44   1   15.519 ? 104 HIS   A CE1  1 ? 
ATOM   1397 N NE2  . HIS   A 1 92  ? 15.466 10.962  -3.597  1   14.395 ? 104 HIS   A NE2  1 ? 
ATOM   1398 H H    . HIS   A 1 92  ? 15.799 6.228   -4.643  1   11.942 ? 104 HIS   A H    1 c 
ATOM   1399 H HA   . HIS   A 1 92  ? 14.879 7.125   -2.167  1   12.552 ? 104 HIS   A HA   1 c 
ATOM   1400 H HB2  . HIS   A 1 92  ? 13.699 7.329   -4.758  1   13.219 ? 104 HIS   A HB2  1 c 
ATOM   1401 H HB3  . HIS   A 1 92  ? 12.883 7.698   -3.45   1   13.25  ? 104 HIS   A HB3  1 c 
ATOM   1402 H HD1  . HIS   A 1 92  ? 13.045 9.995   -5.183  0   14.3   ? 104 HIS   A HD1  1 c 
ATOM   1403 H HD2  . HIS   A 1 92  ? 15.98  9.186   -2.662  1   13.488 ? 104 HIS   A HD2  1 c 
ATOM   1404 H HE1  . HIS   A 1 92  ? 14.25  12.057  -4.846  1   15.141 ? 104 HIS   A HE1  1 c 
ATOM   1405 H HE2  . HIS   A 1 92  ? 16.068 11.539  -3.324  0   14.53  ? 104 HIS   A HE2  1 c 
ATOM   1406 N N    . LEU   A 1 93  ? 13.413 5.259   -1.523  1   13.168 ? 105 LEU   A N    1 ? 
ATOM   1407 C CA   . LEU   A 1 93  ? 12.642 4.096   -1.088  1   13.241 ? 105 LEU   A CA   1 ? 
ATOM   1408 C C    . LEU   A 1 93  ? 11.317 4.605   -0.521  1   13.003 ? 105 LEU   A C    1 ? 
ATOM   1409 O O    . LEU   A 1 93  ? 11.323 5.531   0.288   1   11.952 ? 105 LEU   A O    1 ? 
ATOM   1410 C CB   . LEU   A 1 93  ? 13.352 3.326   0.025   1   13.535 ? 105 LEU   A CB   1 ? 
ATOM   1411 C CG   . LEU   A 1 93  ? 14.721 2.74    -0.282  1   14.904 ? 105 LEU   A CG   1 ? 
ATOM   1412 C CD1  . LEU   A 1 93  ? 15.348 2.047   0.954   1   16.384 ? 105 LEU   A CD1  1 ? 
ATOM   1413 C CD2  . LEU   A 1 93  ? 14.632 1.79    -1.441  1   16.498 ? 105 LEU   A CD2  1 ? 
ATOM   1414 H H    . LEU   A 1 93  ? 13.572 5.918   -0.911  1   12.864 ? 105 LEU   A H    1 c 
ATOM   1415 H HA   . LEU   A 1 93  ? 12.475 3.504   -1.86   1   13.353 ? 105 LEU   A HA   1 c 
ATOM   1416 H HB2  . LEU   A 1 93  ? 13.444 3.929   0.798   1   13.586 ? 105 LEU   A HB2  1 c 
ATOM   1417 H HB3  . LEU   A 1 93  ? 12.761 2.59    0.307   1   13.635 ? 105 LEU   A HB3  1 c 
ATOM   1418 H HG   . LEU   A 1 93  ? 15.319 3.485   -0.547  1   15.085 ? 105 LEU   A HG   1 c 
ATOM   1419 H HD11 . LEU   A 1 93  ? 15.451 2.695   1.672   1   16.055 ? 105 LEU   A HD11 1 c 
ATOM   1420 H HD12 . LEU   A 1 93  ? 16.219 1.687   0.717   1   16.152 ? 105 LEU   A HD12 1 c 
ATOM   1421 H HD13 . LEU   A 1 93  ? 14.77  1.325   1.251   1   16.17  ? 105 LEU   A HD13 1 c 
ATOM   1422 H HD21 . LEU   A 1 93  ? 14.332 2.267   -2.233  1   16.15  ? 105 LEU   A HD21 1 c 
ATOM   1423 H HD22 . LEU   A 1 93  ? 14.001 1.081   -1.232  1   16.263 ? 105 LEU   A HD22 1 c 
ATOM   1424 H HD23 . LEU   A 1 93  ? 15.507 1.403   -1.611  1   16.321 ? 105 LEU   A HD23 1 c 
ATOM   1425 N N    . LEU   A 1 94  ? 10.226 3.971   -0.93   1   13.49  ? 106 LEU   A N    1 ? 
ATOM   1426 C CA   . LEU   A 1 94  ? 8.95   4.146   -0.276  1   13.844 ? 106 LEU   A CA   1 ? 
ATOM   1427 C C    . LEU   A 1 94  ? 8.567  2.822   0.37    1   14.25  ? 106 LEU   A C    1 ? 
ATOM   1428 O O    . LEU   A 1 94  ? 8.662  1.781   -0.276  1   16.791 ? 106 LEU   A O    1 ? 
ATOM   1429 C CB   . LEU   A 1 94  ? 7.947  4.599   -1.334  1   16.204 ? 106 LEU   A CB   1 ? 
ATOM   1430 C CG   . LEU   A 1 94  ? 6.565  4.997   -0.827  1   18.618 ? 106 LEU   A CG   1 ? 
ATOM   1431 C CD1  . LEU   A 1 94  ? 6.643  6.256   0.042   1   19.642 ? 106 LEU   A CD1  1 ? 
ATOM   1432 C CD2  . LEU   A 1 94  ? 5.557  5.17    -1.926  1   20.268 ? 106 LEU   A CD2  1 ? 
ATOM   1433 H H    . LEU   A 1 94  ? 10.277 3.407   -1.647  1   13.434 ? 106 LEU   A H    1 c 
ATOM   1434 H HA   . LEU   A 1 94  ? 9.037  4.841   0.423   1   14.113 ? 106 LEU   A HA   1 c 
ATOM   1435 H HB2  . LEU   A 1 94  ? 8.334  5.367   -1.813  1   15.997 ? 106 LEU   A HB2  1 c 
ATOM   1436 H HB3  . LEU   A 1 94  ? 7.839  3.868   -1.985  1   16.037 ? 106 LEU   A HB3  1 c 
ATOM   1437 H HG   . LEU   A 1 94  ? 6.236  4.263   -0.246  1   18.565 ? 106 LEU   A HG   1 c 
ATOM   1438 H HD11 . LEU   A 1 94  ? 7.204  6.084   0.816   1   19.459 ? 106 LEU   A HD11 1 c 
ATOM   1439 H HD12 . LEU   A 1 94  ? 5.751  6.502   0.339   1   19.429 ? 106 LEU   A HD12 1 c 
ATOM   1440 H HD13 . LEU   A 1 94  ? 7.023  6.985   -0.477  1   19.445 ? 106 LEU   A HD13 1 c 
ATOM   1441 H HD21 . LEU   A 1 94  ? 5.461  4.335   -2.414  1   19.955 ? 106 LEU   A HD21 1 c 
ATOM   1442 H HD22 . LEU   A 1 94  ? 5.857  5.866   -2.535  1   20.068 ? 106 LEU   A HD22 1 c 
ATOM   1443 H HD23 . LEU   A 1 94  ? 4.699  5.422   -1.545  1   19.984 ? 106 LEU   A HD23 1 c 
ATOM   1444 N N    . ILE   A 1 95  ? 8.129  2.895   1.636   1   14.414 ? 107 ILE   A N    1 ? 
ATOM   1445 C CA   . ILE   A 1 95  ? 8.09   1.725   2.484   1   14.638 ? 107 ILE   A CA   1 ? 
ATOM   1446 C C    . ILE   A 1 95  ? 6.753  1.634   3.209   1   15.503 ? 107 ILE   A C    1 ? 
ATOM   1447 O O    . ILE   A 1 95  ? 6.361  2.54    3.943   1   16.699 ? 107 ILE   A O    1 ? 
ATOM   1448 C CB   . ILE   A 1 95  ? 9.235  1.773   3.514   1   14.202 ? 107 ILE   A CB   1 ? 
ATOM   1449 C CG1  . ILE   A 1 95  ? 10.624 1.841   2.851   1   13.728 ? 107 ILE   A CG1  1 ? 
ATOM   1450 C CG2  . ILE   A 1 95  ? 9.09   0.622   4.528   1   14.633 ? 107 ILE   A CG2  1 ? 
ATOM   1451 C CD1  . ILE   A 1 95  ? 11.659 2.453   3.77    1   14.42  ? 107 ILE   A CD1  1 ? 
ATOM   1452 H H    . ILE   A 1 95  ? 7.846  3.696   1.973   1   14.401 ? 107 ILE   A H    1 c 
ATOM   1453 H HA   . ILE   A 1 95  ? 8.205  0.931   1.93    1   14.667 ? 107 ILE   A HA   1 c 
ATOM   1454 H HB   . ILE   A 1 95  ? 9.124  2.605   4.016   1   14.376 ? 107 ILE   A HB   1 c 
ATOM   1455 H HG12 . ILE   A 1 95  ? 10.906 0.937   2.604   1   13.99  ? 107 ILE   A HG12 1 c 
ATOM   1456 H HG13 . ILE   A 1 95  ? 10.568 2.375   2.034   1   14.058 ? 107 ILE   A HG13 1 c 
ATOM   1457 H HG21 . ILE   A 1 95  ? 9.847  0.628   5.137   1   14.57  ? 107 ILE   A HG21 1 c 
ATOM   1458 H HG22 . ILE   A 1 95  ? 9.063  -0.227  4.056   1   14.619 ? 107 ILE   A HG22 1 c 
ATOM   1459 H HG23 . ILE   A 1 95  ? 8.27   0.734   5.037   1   14.765 ? 107 ILE   A HG23 1 c 
ATOM   1460 H HD11 . ILE   A 1 95  ? 11.376 3.352   4.02    1   14.393 ? 107 ILE   A HD11 1 c 
ATOM   1461 H HD12 . ILE   A 1 95  ? 12.519 2.499   3.312   1   14.399 ? 107 ILE   A HD12 1 c 
ATOM   1462 H HD13 . ILE   A 1 95  ? 11.749 1.907   4.575   1   14.403 ? 107 ILE   A HD13 1 c 
ATOM   1463 N N    . LYS   A 1 96  ? 6.086  0.501   3.013   1   17.775 ? 108 LYS   A N    1 ? 
ATOM   1464 C CA   . LYS   A 1 96  ? 4.813  0.232   3.674   1   17.29  ? 108 LYS   A CA   1 ? 
ATOM   1465 C C    . LYS   A 1 96  ? 5.067  -0.169  5.111   1   16.893 ? 108 LYS   A C    1 ? 
ATOM   1466 O O    . LYS   A 1 96  ? 6.155  -0.637  5.443   1   18.156 ? 108 LYS   A O    1 ? 
ATOM   1467 C CB   . LYS   A 1 96  ? 3.984  -0.791  2.895   1   21.473 ? 108 LYS   A CB   1 ? 
ATOM   1468 C CG   . LYS   A 1 96  ? 3.444  -0.218  1.579   1   25.166 ? 108 LYS   A CG   1 ? 
ATOM   1469 C CD   . LYS   A 1 96  ? 2.438  -1.13   0.869   1   34.185 ? 108 LYS   A CD   1 ? 
ATOM   1470 C CE   . LYS   A 1 96  ? 2.012  -0.689  -0.532  1   36.061 ? 108 LYS   A CE   1 ? 
ATOM   1471 N NZ   . LYS   A 1 96  ? 1.312  -1.79   -1.206  1   44.003 ? 108 LYS   A NZ   1 ? 
ATOM   1472 H H    . LYS   A 1 96  ? 6.429  -0.131  2.448   1   17.454 ? 108 LYS   A H    1 c 
ATOM   1473 H HA   . LYS   A 1 96  ? 4.299  1.078   3.682   1   17.913 ? 108 LYS   A HA   1 c 
ATOM   1474 H HB2  . LYS   A 1 96  ? 4.54   -1.575  2.696   1   21.289 ? 108 LYS   A HB2  1 c 
ATOM   1475 H HB3  . LYS   A 1 96  ? 3.229  -1.088  3.446   1   21.317 ? 108 LYS   A HB3  1 c 
ATOM   1476 H HG2  . LYS   A 1 96  ? 3.015  0.644   1.767   1   25.503 ? 108 LYS   A HG2  1 c 
ATOM   1477 H HG3  . LYS   A 1 96  ? 4.201  -0.05   0.978   1   25.538 ? 108 LYS   A HG3  1 c 
ATOM   1478 H HD2  . LYS   A 1 96  ? 2.828  -2.029  0.808   1   32.762 ? 108 LYS   A HD2  1 c 
ATOM   1479 H HD3  . LYS   A 1 96  ? 1.636  -1.199  1.431   1   32.804 ? 108 LYS   A HD3  1 c 
ATOM   1480 H HE2  . LYS   A 1 96  ? 1.418  0.081   -0.472  1   37.03  ? 108 LYS   A HE2  1 c 
ATOM   1481 H HE3  . LYS   A 1 96  ? 2.795  -0.436  -1.054  1   36.992 ? 108 LYS   A HE3  1 c 
ATOM   1482 H HZ1  . LYS   A 1 96  ? 0.589  -2.036  -0.721  1   42.232 ? 108 LYS   A HZ1  1 c 
ATOM   1483 H HZ2  . LYS   A 1 96  ? 1.869  -2.499  -1.292  1   41.994 ? 108 LYS   A HZ2  1 c 
ATOM   1484 H HZ3  . LYS   A 1 96  ? 1.042  -1.522  -2.028  1   42.273 ? 108 LYS   A HZ3  1 c 
ATOM   1485 N N    . PRO   A 1 97  ? 4.079  -0.048  6.017   1   17.183 ? 109 PRO   A N    1 ? 
ATOM   1486 C CA   . PRO   A 1 97  ? 4.356  -0.28   7.441   1   16.479 ? 109 PRO   A CA   1 ? 
ATOM   1487 C C    . PRO   A 1 97  ? 4.916  -1.663  7.758   1   17.488 ? 109 PRO   A C    1 ? 
ATOM   1488 O O    . PRO   A 1 97  ? 5.691  -1.818  8.69    1   19.684 ? 109 PRO   A O    1 ? 
ATOM   1489 C CB   . PRO   A 1 97  ? 2.99   -0.049  8.109   1   16.92  ? 109 PRO   A CB   1 ? 
ATOM   1490 C CG   . PRO   A 1 97  ? 2.081  0.585   7.12    1   20.45  ? 109 PRO   A CG   1 ? 
ATOM   1491 C CD   . PRO   A 1 97  ? 2.74   0.491   5.754   1   18.452 ? 109 PRO   A CD   1 ? 
ATOM   1492 H HA   . PRO   A 1 97  ? 4.987  0.4     7.758   1   17.061 ? 109 PRO   A HA   1 c 
ATOM   1493 H HB2  . PRO   A 1 97  ? 2.615  -0.897  8.415   1   17.657 ? 109 PRO   A HB2  1 c 
ATOM   1494 H HB3  . PRO   A 1 97  ? 3.091  0.529   8.89    1   17.551 ? 109 PRO   A HB3  1 c 
ATOM   1495 H HG2  . PRO   A 1 97  ? 1.219  0.124   7.109   1   19.893 ? 109 PRO   A HG2  1 c 
ATOM   1496 H HG3  . PRO   A 1 97  ? 1.927  1.521   7.352   1   19.609 ? 109 PRO   A HG3  1 c 
ATOM   1497 H HD2  . PRO   A 1 97  ? 2.24   -0.108  5.167   1   18.603 ? 109 PRO   A HD2  1 c 
ATOM   1498 H HD3  . PRO   A 1 97  ? 2.8    1.371   5.335   1   18.783 ? 109 PRO   A HD3  1 c 
ATOM   1499 N N    A GLU   A 1 98  ? 4.497  -2.681  6.995   0.5 18.855 ? 110 GLU   A N    1 ? 
ATOM   1500 N N    B GLU   A 1 98  ? 4.499  -2.684  6.997   0.5 19.19  ? 110 GLU   A N    1 ? 
ATOM   1501 C CA   A GLU   A 1 98  ? 4.913  -4.047  7.251   0.5 19.632 ? 110 GLU   A CA   1 ? 
ATOM   1502 C CA   B GLU   A 1 98  ? 4.921  -4.05   7.256   0.5 20.418 ? 110 GLU   A CA   1 ? 
ATOM   1503 C C    A GLU   A 1 98  ? 6.444  -4.17   7.208   0.5 20.079 ? 110 GLU   A C    1 ? 
ATOM   1504 C C    B GLU   A 1 98  ? 6.451  -4.167  7.216   0.5 20.495 ? 110 GLU   A C    1 ? 
ATOM   1505 O O    A GLU   A 1 98  ? 7.006  -5.091  7.808   0.5 22.217 ? 110 GLU   A O    1 ? 
ATOM   1506 O O    B GLU   A 1 98  ? 7.015  -5.086  7.821   0.5 22.424 ? 110 GLU   A O    1 ? 
ATOM   1507 C CB   A GLU   A 1 98  ? 4.24   -4.949  6.213   0.5 20.949 ? 110 GLU   A CB   1 ? 
ATOM   1508 C CB   B GLU   A 1 98  ? 4.296  -4.973  6.208   0.5 22.707 ? 110 GLU   A CB   1 ? 
ATOM   1509 C CG   A GLU   A 1 98  ? 2.709  -4.982  6.317   0.5 22.127 ? 110 GLU   A CG   1 ? 
ATOM   1510 C CG   B GLU   A 1 98  ? 4.575  -6.452  6.444   0.5 26.244 ? 110 GLU   A CG   1 ? 
ATOM   1511 C CD   A GLU   A 1 98  ? 1.838  -3.821  5.817   0.5 23.302 ? 110 GLU   A CD   1 ? 
ATOM   1512 C CD   B GLU   A 1 98  ? 4.08   -7.425  5.376   0.5 28.05  ? 110 GLU   A CD   1 ? 
ATOM   1513 O OE1  A GLU   A 1 98  ? 2.33   -2.937  5.113   0.5 19.577 ? 110 GLU   A OE1  1 ? 
ATOM   1514 O OE1  B GLU   A 1 98  ? 3.281  -7.099  4.448   0.5 28.363 ? 110 GLU   A OE1  1 ? 
ATOM   1515 O OE2  A GLU   A 1 98  ? 0.606  -3.829  6.116   0.5 26.466 ? 110 GLU   A OE2  1 ? 
ATOM   1516 O OE2  B GLU   A 1 98  ? 4.564  -8.566  5.487   0.5 29.237 ? 110 GLU   A OE2  1 ? 
ATOM   1517 H H    A GLU   A 1 98  ? 3.932  -2.518  6.295   0.5 18.814 ? 110 GLU   A H    1 c 
ATOM   1518 H H    B GLU   A 1 98  ? 3.932  -2.524  6.298   0.5 19.134 ? 110 GLU   A H    1 c 
ATOM   1519 H HA   A GLU   A 1 98  ? 4.599  -4.305  8.154   0.5 19.901 ? 110 GLU   A HA   1 c 
ATOM   1520 H HA   B GLU   A 1 98  ? 4.602  -4.313  8.157   0.5 20.654 ? 110 GLU   A HA   1 c 
ATOM   1521 H HB2  A GLU   A 1 98  ? 4.489  -4.639  5.318   0.5 21.179 ? 110 GLU   A HB2  1 c 
ATOM   1522 H HB2  B GLU   A 1 98  ? 3.327  -4.828  6.197   0.5 22.802 ? 110 GLU   A HB2  1 c 
ATOM   1523 H HB3  A GLU   A 1 98  ? 4.583  -5.861  6.319   0.5 21.09  ? 110 GLU   A HB3  1 c 
ATOM   1524 H HB3  B GLU   A 1 98  ? 4.644  -4.727  5.325   0.5 22.961 ? 110 GLU   A HB3  1 c 
ATOM   1525 H HG2  A GLU   A 1 98  ? 2.403  -5.788  5.848   0.5 22.244 ? 110 GLU   A HG2  1 c 
ATOM   1526 H HG2  B GLU   A 1 98  ? 5.543  -6.574  6.543   0.5 25.933 ? 110 GLU   A HG2  1 c 
ATOM   1527 H HG3  A GLU   A 1 98  ? 2.483  -5.121  7.261   0.5 22.314 ? 110 GLU   A HG3  1 c 
ATOM   1528 H HG3  B GLU   A 1 98  ? 4.166  -6.71   7.298   0.5 25.992 ? 110 GLU   A HG3  1 c 
ATOM   1529 N N    . TYR   A 1 99  ? 7.132  -3.263  6.493   1   20.177 ? 111 TYR   A N    1 ? 
ATOM   1530 C CA   . TYR   A 1 99  ? 8.592  -3.324  6.37    1   18.628 ? 111 TYR   A CA   1 ? 
ATOM   1531 C C    . TYR   A 1 99  ? 9.255  -2.202  7.187   1   16.756 ? 111 TYR   A C    1 ? 
ATOM   1532 O O    . TYR   A 1 99  ? 10.443 -1.915  7.04    1   17.015 ? 111 TYR   A O    1 ? 
ATOM   1533 C CB   . TYR   A 1 99  ? 9.013  -3.282  4.891   1   17.175 ? 111 TYR   A CB   1 ? 
ATOM   1534 C CG   . TYR   A 1 99  ? 8.553  -4.5    4.107   1   17.214 ? 111 TYR   A CG   1 ? 
ATOM   1535 C CD1  . TYR   A 1 99  ? 7.291  -4.571  3.526   1   16.719 ? 111 TYR   A CD1  1 ? 
ATOM   1536 C CD2  . TYR   A 1 99  ? 9.344  -5.628  4.036   1   17.697 ? 111 TYR   A CD2  1 ? 
ATOM   1537 C CE1  . TYR   A 1 99  ? 6.852  -5.703  2.858   1   18.064 ? 111 TYR   A CE1  1 ? 
ATOM   1538 C CE2  . TYR   A 1 99  ? 8.934  -6.74   3.329   1   19.416 ? 111 TYR   A CE2  1 ? 
ATOM   1539 C CZ   . TYR   A 1 99  ? 7.68   -6.794  2.757   1   18.645 ? 111 TYR   A CZ   1 ? 
ATOM   1540 O OH   . TYR   A 1 99  ? 7.339  -7.917  2.07    1   21.524 ? 111 TYR   A OH   1 ? 
ATOM   1541 H H    A TYR   A 1 99  ? 6.682  -2.596  6.06    0.5 19.938 ? 111 TYR   A H    1 c 
ATOM   1542 H H    B TYR   A 1 99  ? 6.679  -2.601  6.055   0.5 20.003 ? 111 TYR   A H    1 c 
ATOM   1543 H HA   . TYR   A 1 99  ? 8.9    -4.191  6.744   1   18.464 ? 111 TYR   A HA   1 c 
ATOM   1544 H HB2  . TYR   A 1 99  ? 8.635  -2.474  4.479   1   17.444 ? 111 TYR   A HB2  1 c 
ATOM   1545 H HB3  . TYR   A 1 99  ? 9.993  -3.222  4.842   1   17.334 ? 111 TYR   A HB3  1 c 
ATOM   1546 H HD1  . TYR   A 1 99  ? 6.713  -3.827  3.593   1   17.157 ? 111 TYR   A HD1  1 c 
ATOM   1547 H HD2  . TYR   A 1 99  ? 10.206 -5.616  4.422   1   17.944 ? 111 TYR   A HD2  1 c 
ATOM   1548 H HE1  . TYR   A 1 99  ? 6.003  -5.714  2.45    1   17.947 ? 111 TYR   A HE1  1 c 
ATOM   1549 H HE2  . TYR   A 1 99  ? 9.505  -7.486  3.265   1   19.025 ? 111 TYR   A HE2  1 c 
ATOM   1550 H HH   . TYR   A 1 99  ? 6.551  -7.821  1.727   0   21.58  ? 111 TYR   A HH   1 c 
ATOM   1551 N N    . ALA   A 1 100 ? 8.499  -1.56   8.066   1   17.431 ? 112 ALA   A N    1 ? 
ATOM   1552 C CA   . ALA   A 1 100 ? 8.978  -0.461  8.889   1   18.019 ? 112 ALA   A CA   1 ? 
ATOM   1553 C C    . ALA   A 1 100 ? 8.489  -0.704  10.333  1   15.895 ? 112 ALA   A C    1 ? 
ATOM   1554 O O    . ALA   A 1 100 ? 9.028  -1.592  10.943  1   19.751 ? 112 ALA   A O    1 ? 
ATOM   1555 C CB   . ALA   A 1 100 ? 8.515  0.836   8.288   1   16.097 ? 112 ALA   A CB   1 ? 
ATOM   1556 H H    . ALA   A 1 100 ? 7.631  -1.821  8.169   1   17.654 ? 112 ALA   A H    1 c 
ATOM   1557 H HA   . ALA   A 1 100 ? 9.973  -0.48   8.892   1   17.6   ? 112 ALA   A HA   1 c 
ATOM   1558 H HB1  . ALA   A 1 100 ? 8.899  0.94    7.401   1   16.369 ? 112 ALA   A HB1  1 c 
ATOM   1559 H HB2  . ALA   A 1 100 ? 7.546  0.838   8.219   1   16.379 ? 112 ALA   A HB2  1 c 
ATOM   1560 H HB3  . ALA   A 1 100 ? 8.8    1.576   8.849   1   16.411 ? 112 ALA   A HB3  1 c 
ATOM   1561 N N    . TYR   A 1 101 ? 7.544  0.061   10.896  1   19.012 ? 113 TYR   A N    1 ? 
ATOM   1562 C CA   . TYR   A 1 101 ? 7.106  -0.07   12.29   1   19.634 ? 113 TYR   A CA   1 ? 
ATOM   1563 C C    . TYR   A 1 101 ? 5.679  -0.613  12.469  1   20.73  ? 113 TYR   A C    1 ? 
ATOM   1564 O O    . TYR   A 1 101 ? 5.176  -0.63   13.578  1   24.542 ? 113 TYR   A O    1 ? 
ATOM   1565 C CB   . TYR   A 1 101 ? 7.228  1.305   12.958  1   20.075 ? 113 TYR   A CB   1 ? 
ATOM   1566 C CG   . TYR   A 1 101 ? 8.668  1.797   12.911  1   18.778 ? 113 TYR   A CG   1 ? 
ATOM   1567 C CD1  . TYR   A 1 101 ? 9.595  1.468   13.901  1   17.071 ? 113 TYR   A CD1  1 ? 
ATOM   1568 C CD2  . TYR   A 1 101 ? 9.068  2.672   11.914  1   14.894 ? 113 TYR   A CD2  1 ? 
ATOM   1569 C CE1  . TYR   A 1 101 ? 10.898 1.933   13.858  1   15.867 ? 113 TYR   A CE1  1 ? 
ATOM   1570 C CE2  . TYR   A 1 101 ? 10.362 3.128   11.853  1   14.707 ? 113 TYR   A CE2  1 ? 
ATOM   1571 C CZ   . TYR   A 1 101 ? 11.272 2.773   12.825  1   14.346 ? 113 TYR   A CZ   1 ? 
ATOM   1572 O OH   . TYR   A 1 101 ? 12.526 3.286   12.741  1   13.754 ? 113 TYR   A OH   1 ? 
ATOM   1573 H H    . TYR   A 1 101 ? 7.142  0.701   10.382  1   18.35  ? 113 TYR   A H    1 c 
ATOM   1574 H HA   . TYR   A 1 101 ? 7.73   -0.689  12.752  1   20.075 ? 113 TYR   A HA   1 c 
ATOM   1575 H HB2  . TYR   A 1 101 ? 6.647  1.944   12.489  1   20.093 ? 113 TYR   A HB2  1 c 
ATOM   1576 H HB3  . TYR   A 1 101 ? 6.936  1.237   13.894  1   19.936 ? 113 TYR   A HB3  1 c 
ATOM   1577 H HD1  . TYR   A 1 101 ? 9.337  0.891   14.601  1   17.201 ? 113 TYR   A HD1  1 c 
ATOM   1578 H HD2  . TYR   A 1 101 ? 8.457  2.919   11.238  1   15.454 ? 113 TYR   A HD2  1 c 
ATOM   1579 H HE1  . TYR   A 1 101 ? 11.517 1.691   14.525  1   15.902 ? 113 TYR   A HE1  1 c 
ATOM   1580 H HE2  . TYR   A 1 101 ? 10.623 3.709   11.16   1   14.454 ? 113 TYR   A HE2  1 c 
ATOM   1581 H HH   . TYR   A 1 101 ? 12.995 3.04    13.41   0   14.13  ? 113 TYR   A HH   1 c 
ATOM   1582 N N    . GLY   A 1 102 ? 5.055  -1.124  11.405  1   21.247 ? 114 GLY   A N    1 ? 
ATOM   1583 C CA   . GLY   A 1 102 ? 3.836  -1.913  11.505  1   22.053 ? 114 GLY   A CA   1 ? 
ATOM   1584 C C    . GLY   A 1 102 ? 2.624  -1.143  11.97   1   24.634 ? 114 GLY   A C    1 ? 
ATOM   1585 O O    . GLY   A 1 102 ? 2.587  0.089   12.043  1   25.948 ? 114 GLY   A O    1 ? 
ATOM   1586 H H    . GLY   A 1 102 ? 5.403  -0.97   10.574  1   21.69  ? 114 GLY   A H    1 c 
ATOM   1587 H HA2  . GLY   A 1 102 ? 3.645  -2.304  10.62   1   22.391 ? 114 GLY   A HA2  1 c 
ATOM   1588 H HA3  . GLY   A 1 102 ? 4      -2.659  12.129  1   22.691 ? 114 GLY   A HA3  1 c 
ATOM   1589 N N    . SER   A 1 103 ? 1.611  -1.949  12.281  1   27.234 ? 115 SER   A N    1 ? 
ATOM   1590 C CA   . SER   A 1 103 ? 0.324  -1.477  12.761  1   28.027 ? 115 SER   A CA   1 ? 
ATOM   1591 C C    . SER   A 1 103 ? 0.479  -0.802  14.121  1   30.047 ? 115 SER   A C    1 ? 
ATOM   1592 O O    . SER   A 1 103 ? -0.182 0.185   14.399  1   36.181 ? 115 SER   A O    1 ? 
ATOM   1593 C CB   . SER   A 1 103 ? -0.67  -2.628  12.779  1   30.916 ? 115 SER   A CB   1 ? 
ATOM   1594 O OG   . SER   A 1 103 ? -0.188 -3.728  13.528  1   31.781 ? 115 SER   A OG   1 ? 
ATOM   1595 H H    . SER   A 1 103 ? 1.729  -2.851  12.186  1   26.979 ? 115 SER   A H    1 c 
ATOM   1596 H HA   . SER   A 1 103 ? -0.003 -0.797  12.124  1   29.165 ? 115 SER   A HA   1 c 
ATOM   1597 H HB2  . SER   A 1 103 ? -1.511 -2.318  13.165  1   31.122 ? 115 SER   A HB2  1 c 
ATOM   1598 H HB3  . SER   A 1 103 ? -0.846 -2.914  11.862  1   30.761 ? 115 SER   A HB3  1 c 
ATOM   1599 H HG   . SER   A 1 103 ? -0.773 -4.333  13.507  0   32.17  ? 115 SER   A HG   1 c 
ATOM   1600 N N    . ALA   A 1 104 ? 1.38   -1.314  14.956  1   35.497 ? 116 ALA   A N    1 ? 
ATOM   1601 C CA   . ALA   A 1 104 ? 1.646  -0.759  16.275  1   37.779 ? 116 ALA   A CA   1 ? 
ATOM   1602 C C    . ALA   A 1 104 ? 2.296  0.621   16.192  1   29.864 ? 116 ALA   A C    1 ? 
ATOM   1603 O O    . ALA   A 1 104 ? 2.086  1.451   17.078  1   30.009 ? 116 ALA   A O    1 ? 
ATOM   1604 C CB   . ALA   A 1 104 ? 2.55   -1.708  17.047  1   39.885 ? 116 ALA   A CB   1 ? 
ATOM   1605 H H    . ALA   A 1 104 ? 1.852  -2.052  14.694  1   35.163 ? 116 ALA   A H    1 c 
ATOM   1606 H HA   . ALA   A 1 104 ? 0.779  -0.668  16.758  1   37.114 ? 116 ALA   A HA   1 c 
ATOM   1607 H HB1  . ALA   A 1 104 ? 2.113  -2.571  17.142  1   39.706 ? 116 ALA   A HB1  1 c 
ATOM   1608 H HB2  . ALA   A 1 104 ? 3.388  -1.824  16.567  1   39.857 ? 116 ALA   A HB2  1 c 
ATOM   1609 H HB3  . ALA   A 1 104 ? 2.734  -1.342  17.928  1   39.635 ? 116 ALA   A HB3  1 c 
ATOM   1610 N N    . GLY   A 1 105 ? 3.137  0.847   15.171  1   26.046 ? 117 GLY   A N    1 ? 
ATOM   1611 C CA   . GLY   A 1 105 ? 4.017  2       15.202  1   23.399 ? 117 GLY   A CA   1 ? 
ATOM   1612 C C    . GLY   A 1 105 ? 5.049  1.881   16.323  1   22.345 ? 117 GLY   A C    1 ? 
ATOM   1613 O O    . GLY   A 1 105 ? 5.366  0.795   16.777  1   22.755 ? 117 GLY   A O    1 ? 
ATOM   1614 H H    . GLY   A 1 105 ? 3.163  0.28    14.455  1   26.721 ? 117 GLY   A H    1 c 
ATOM   1615 H HA2  . GLY   A 1 105 ? 4.479  2.078   14.335  1   24.26  ? 117 GLY   A HA2  1 c 
ATOM   1616 H HA3  . GLY   A 1 105 ? 3.478  2.816   15.334  1   24.391 ? 117 GLY   A HA3  1 c 
ATOM   1617 N N    . SER   A 1 106 ? 5.604  3.02    16.741  1   23.484 ? 118 SER   A N    1 ? 
ATOM   1618 C CA   . SER   A 1 106 ? 6.585  3.056   17.815  1   23.448 ? 118 SER   A CA   1 ? 
ATOM   1619 C C    . SER   A 1 106 ? 6.514  4.445   18.416  1   25.715 ? 118 SER   A C    1 ? 
ATOM   1620 O O    . SER   A 1 106 ? 7.324  5.306   18.093  1   24.535 ? 118 SER   A O    1 ? 
ATOM   1621 C CB   . SER   A 1 106 ? 7.922  2.748   17.278  1   24.63  ? 118 SER   A CB   1 ? 
ATOM   1622 O OG   . SER   A 1 106 ? 8.845  2.532   18.335  1   26.876 ? 118 SER   A OG   1 ? 
ATOM   1623 H H    . SER   A 1 106 ? 5.362  3.806   16.34   1   23.822 ? 118 SER   A H    1 c 
ATOM   1624 H HA   . SER   A 1 106 ? 6.342  2.387   18.504  1   24.686 ? 118 SER   A HA   1 c 
ATOM   1625 H HB2  . SER   A 1 106 ? 7.871  1.948   16.722  1   25.261 ? 118 SER   A HB2  1 c 
ATOM   1626 H HB3  . SER   A 1 106 ? 8.229  3.488   16.72   1   25.262 ? 118 SER   A HB3  1 c 
ATOM   1627 H HG   . SER   A 1 106 ? 9.609  2.368   18.002  0   27.07  ? 118 SER   A HG   1 c 
ATOM   1628 N N    . LEU   A 1 107 ? 5.486  4.669   19.244  1   26.759 ? 119 LEU   A N    1 ? 
ATOM   1629 C CA   . LEU   A 1 107 ? 5.208  6.019   19.736  1   30.727 ? 119 LEU   A CA   1 ? 
ATOM   1630 C C    . LEU   A 1 107 ? 6.272  6.422   20.756  1   29.641 ? 119 LEU   A C    1 ? 
ATOM   1631 O O    . LEU   A 1 107 ? 6.896  5.564   21.367  1   27.158 ? 119 LEU   A O    1 ? 
ATOM   1632 C CB   . LEU   A 1 107 ? 3.791  6.116   20.296  1   33.058 ? 119 LEU   A CB   1 ? 
ATOM   1633 C CG   . LEU   A 1 107 ? 2.683  6.108   19.235  1   36.618 ? 119 LEU   A CG   1 ? 
ATOM   1634 C CD1  . LEU   A 1 107 ? 1.314  5.894   19.841  1   43.896 ? 119 LEU   A CD1  1 ? 
ATOM   1635 C CD2  . LEU   A 1 107 ? 2.682  7.396   18.425  1   36.838 ? 119 LEU   A CD2  1 ? 
ATOM   1636 H H    . LEU   A 1 107 ? 4.95   3.977   19.509  1   27.611 ? 119 LEU   A H    1 c 
ATOM   1637 H HA   . LEU   A 1 107 ? 5.282  6.633   18.965  1   30.561 ? 119 LEU   A HA   1 c 
ATOM   1638 H HB2  . LEU   A 1 107 ? 3.646  5.357   20.907  1   33.341 ? 119 LEU   A HB2  1 c 
ATOM   1639 H HB3  . LEU   A 1 107 ? 3.719  6.947   20.82   1   33.092 ? 119 LEU   A HB3  1 c 
ATOM   1640 H HG   . LEU   A 1 107 ? 2.86   5.357   18.611  1   37.106 ? 119 LEU   A HG   1 c 
ATOM   1641 H HD11 . LEU   A 1 107 ? 1.294  5.041   20.306  1   42.381 ? 119 LEU   A HD11 1 c 
ATOM   1642 H HD12 . LEU   A 1 107 ? 0.644  5.893   19.136  1   42.602 ? 119 LEU   A HD12 1 c 
ATOM   1643 H HD13 . LEU   A 1 107 ? 1.121  6.61    20.469  1   42.391 ? 119 LEU   A HD13 1 c 
ATOM   1644 H HD21 . LEU   A 1 107 ? 3.533  7.493   17.965  1   36.72  ? 119 LEU   A HD21 1 c 
ATOM   1645 H HD22 . LEU   A 1 107 ? 2.548  8.154   19.018  1   37.037 ? 119 LEU   A HD22 1 c 
ATOM   1646 H HD23 . LEU   A 1 107 ? 1.965  7.368   17.77   1   36.964 ? 119 LEU   A HD23 1 c 
ATOM   1647 N N    . PRO   A 1 108 ? 6.556  7.733   20.961  1   31.981 ? 120 PRO   A N    1 ? 
ATOM   1648 C CA   . PRO   A 1 108 ? 5.907  8.837   20.237  1   32.68  ? 120 PRO   A CA   1 ? 
ATOM   1649 C C    . PRO   A 1 108 ? 6.391  9.082   18.811  1   29.463 ? 120 PRO   A C    1 ? 
ATOM   1650 O O    . PRO   A 1 108 ? 5.77   9.836   18.067  1   29.925 ? 120 PRO   A O    1 ? 
ATOM   1651 C CB   . PRO   A 1 108 ? 6.248  10.058  21.069  1   35.954 ? 120 PRO   A CB   1 ? 
ATOM   1652 C CG   . PRO   A 1 108 ? 7.634  9.683   21.625  1   36.022 ? 120 PRO   A CG   1 ? 
ATOM   1653 C CD   . PRO   A 1 108 ? 7.555  8.201   21.941  1   32.371 ? 120 PRO   A CD   1 ? 
ATOM   1654 H HA   . PRO   A 1 108 ? 4.937  8.704   20.235  1   32.522 ? 120 PRO   A HA   1 c 
ATOM   1655 H HB2  . PRO   A 1 108 ? 6.29   10.865  20.52   1   35.225 ? 120 PRO   A HB2  1 c 
ATOM   1656 H HB3  . PRO   A 1 108 ? 5.601  10.186  21.79   1   35.493 ? 120 PRO   A HB3  1 c 
ATOM   1657 H HG2  . PRO   A 1 108 ? 8.331  9.854   20.962  1   35.436 ? 120 PRO   A HG2  1 c 
ATOM   1658 H HG3  . PRO   A 1 108 ? 7.835  10.196  22.432  1   35.44  ? 120 PRO   A HG3  1 c 
ATOM   1659 H HD2  . PRO   A 1 108 ? 8.414  7.758   21.804  1   32.901 ? 120 PRO   A HD2  1 c 
ATOM   1660 H HD3  . PRO   A 1 108 ? 7.249  8.044   22.855  1   32.938 ? 120 PRO   A HD3  1 c 
ATOM   1661 N N    . LYS   A 1 109 ? 7.542  8.521   18.448  1   29.224 ? 121 LYS   A N    1 ? 
ATOM   1662 C CA   . LYS   A 1 109 ? 8.162  8.905   17.197  1   26.165 ? 121 LYS   A CA   1 ? 
ATOM   1663 C C    . LYS   A 1 109 ? 7.308  8.508   15.986  1   25.25  ? 121 LYS   A C    1 ? 
ATOM   1664 O O    . LYS   A 1 109 ? 7.129  9.311   15.059  1   28.867 ? 121 LYS   A O    1 ? 
ATOM   1665 C CB   . LYS   A 1 109 ? 9.559  8.269   17.078  1   25.572 ? 121 LYS   A CB   1 ? 
ATOM   1666 C CG   . LYS   A 1 109 ? 10.342 8.868   15.935  1   29.731 ? 121 LYS   A CG   1 ? 
ATOM   1667 C CD   . LYS   A 1 109 ? 10.642 10.326  16.253  1   32.296 ? 121 LYS   A CD   1 ? 
ATOM   1668 C CE   . LYS   A 1 109 ? 11.615 10.913  15.334  1   33.033 ? 121 LYS   A CE   1 ? 
ATOM   1669 N NZ   . LYS   A 1 109 ? 11.796 12.32   15.687  1   31.961 ? 121 LYS   A NZ   1 ? 
ATOM   1670 H H    . LYS   A 1 109 ? 7.947  7.898   18.98   1   28.934 ? 121 LYS   A H    1 c 
ATOM   1671 H HA   . LYS   A 1 109 ? 8.259  9.889   17.197  1   26.692 ? 121 LYS   A HA   1 c 
ATOM   1672 H HB2  . LYS   A 1 109 ? 10.053 8.405   17.914  1   26.076 ? 121 LYS   A HB2  1 c 
ATOM   1673 H HB3  . LYS   A 1 109 ? 9.467  7.303   16.931  1   26.455 ? 121 LYS   A HB3  1 c 
ATOM   1674 H HG2  . LYS   A 1 109 ? 11.181 8.373   15.819  1   29.352 ? 121 LYS   A HG2  1 c 
ATOM   1675 H HG3  . LYS   A 1 109 ? 9.82   8.805   15.106  1   29.461 ? 121 LYS   A HG3  1 c 
ATOM   1676 H HD2  . LYS   A 1 109 ? 9.81   10.844  16.205  1   31.557 ? 121 LYS   A HD2  1 c 
ATOM   1677 H HD3  . LYS   A 1 109 ? 10.988 10.391  17.17   1   31.963 ? 121 LYS   A HD3  1 c 
ATOM   1678 H HE2  . LYS   A 1 109 ? 12.467 10.448  15.404  1   32.955 ? 121 LYS   A HE2  1 c 
ATOM   1679 H HE3  . LYS   A 1 109 ? 11.296 10.846  14.417  1   32.755 ? 121 LYS   A HE3  1 c 
ATOM   1680 H HZ1  . LYS   A 1 109 ? 12.084 12.39   16.543  1   32.095 ? 121 LYS   A HZ1  1 c 
ATOM   1681 H HZ2  . LYS   A 1 109 ? 11.01  12.763  15.6    1   31.864 ? 121 LYS   A HZ2  1 c 
ATOM   1682 H HZ3  . LYS   A 1 109 ? 12.41  12.695  15.137  1   32.26  ? 121 LYS   A HZ3  1 c 
ATOM   1683 N N    . ILE   A 1 110 ? 6.892  7.239   15.945  1   24.176 ? 122 ILE   A N    1 ? 
ATOM   1684 C CA   . ILE   A 1 110 ? 6.265  6.67    14.753  1   24.271 ? 122 ILE   A CA   1 ? 
ATOM   1685 C C    . ILE   A 1 110 ? 4.825  6.253   15.059  1   23.94  ? 122 ILE   A C    1 ? 
ATOM   1686 O O    . ILE   A 1 110 ? 4.56   5.388   15.899  1   24.705 ? 122 ILE   A O    1 ? 
ATOM   1687 C CB   . ILE   A 1 110 ? 7.042  5.466   14.196  1   22.742 ? 122 ILE   A CB   1 ? 
ATOM   1688 C CG1  . ILE   A 1 110 ? 8.551  5.722   14.068  1   23.099 ? 122 ILE   A CG1  1 ? 
ATOM   1689 C CG2  . ILE   A 1 110 ? 6.438  5.025   12.862  1   22.909 ? 122 ILE   A CG2  1 ? 
ATOM   1690 C CD1  . ILE   A 1 110 ? 8.968  6.758   13.028  1   22.215 ? 122 ILE   A CD1  1 ? 
ATOM   1691 H H    . ILE   A 1 110 ? 7.001  6.707   16.68   1   25.222 ? 122 ILE   A H    1 c 
ATOM   1692 H HA   . ILE   A 1 110 ? 6.248  7.357   14.063  1   24.724 ? 122 ILE   A HA   1 c 
ATOM   1693 H HB   . ILE   A 1 110 ? 6.928  4.728   14.827  1   23.7   ? 122 ILE   A HB   1 c 
ATOM   1694 H HG12 . ILE   A 1 110 ? 8.891  6.008   14.94   1   23.232 ? 122 ILE   A HG12 1 c 
ATOM   1695 H HG13 . ILE   A 1 110 ? 8.987  4.874   13.847  1   23.564 ? 122 ILE   A HG13 1 c 
ATOM   1696 H HG21 . ILE   A 1 110 ? 6.959  4.292   12.496  1   23.422 ? 122 ILE   A HG21 1 c 
ATOM   1697 H HG22 . ILE   A 1 110 ? 6.446  5.769   12.237  1   23.622 ? 122 ILE   A HG22 1 c 
ATOM   1698 H HG23 . ILE   A 1 110 ? 5.522  4.73    12.998  1   23.056 ? 122 ILE   A HG23 1 c 
ATOM   1699 H HD11 . ILE   A 1 110 ? 8.685  6.469   12.139  1   22.781 ? 122 ILE   A HD11 1 c 
ATOM   1700 H HD12 . ILE   A 1 110 ? 9.939  6.859   13.04   1   22.676 ? 122 ILE   A HD12 1 c 
ATOM   1701 H HD13 . ILE   A 1 110 ? 8.551  7.616   13.237  1   22.849 ? 122 ILE   A HD13 1 c 
ATOM   1702 N N    . PRO   A 1 111 ? 3.825  6.811   14.346  1   22.632 ? 123 PRO   A N    1 ? 
ATOM   1703 C CA   . PRO   A 1 111 ? 2.444  6.39    14.527  1   24.75  ? 123 PRO   A CA   1 ? 
ATOM   1704 C C    . PRO   A 1 111 ? 2.122  5.035   13.914  1   25.094 ? 123 PRO   A C    1 ? 
ATOM   1705 O O    . PRO   A 1 111 ? 2.926  4.466   13.176  1   24.125 ? 123 PRO   A O    1 ? 
ATOM   1706 C CB   . PRO   A 1 111 ? 1.65   7.525   13.894  1   26.175 ? 123 PRO   A CB   1 ? 
ATOM   1707 C CG   . PRO   A 1 111 ? 2.567  8.144   12.901  1   25.732 ? 123 PRO   A CG   1 ? 
ATOM   1708 C CD   . PRO   A 1 111 ? 3.975  7.865   13.327  1   25.245 ? 123 PRO   A CD   1 ? 
ATOM   1709 H HA   . PRO   A 1 111 ? 2.243  6.362   15.485  1   24.974 ? 123 PRO   A HA   1 c 
ATOM   1710 H HB2  . PRO   A 1 111 ? 0.846  7.184   13.455  1   26.087 ? 123 PRO   A HB2  1 c 
ATOM   1711 H HB3  . PRO   A 1 111 ? 1.382  8.178   14.57   1   26.297 ? 123 PRO   A HB3  1 c 
ATOM   1712 H HG2  . PRO   A 1 111 ? 2.407  7.77    12.011  1   26.069 ? 123 PRO   A HG2  1 c 
ATOM   1713 H HG3  . PRO   A 1 111 ? 2.418  9.11    12.858  1   25.962 ? 123 PRO   A HG3  1 c 
ATOM   1714 H HD2  . PRO   A 1 111 ? 4.514  7.546   12.577  1   25.311 ? 123 PRO   A HD2  1 c 
ATOM   1715 H HD3  . PRO   A 1 111 ? 4.394  8.66    13.71   1   24.933 ? 123 PRO   A HD3  1 c 
ATOM   1716 N N    . SER   A 1 112 ? 0.911  4.572   14.205  1   28.135 ? 124 SER   A N    1 ? 
ATOM   1717 C CA   . SER   A 1 112 ? 0.316  3.391   13.624  1   29.111 ? 124 SER   A CA   1 ? 
ATOM   1718 C C    . SER   A 1 112 ? 0.278  3.502   12.089  1   25.21  ? 124 SER   A C    1 ? 
ATOM   1719 O O    . SER   A 1 112 ? -0.021 4.564   11.541  1   24.439 ? 124 SER   A O    1 ? 
ATOM   1720 C CB   . SER   A 1 112 ? -1.068 3.258   14.202  1   31.502 ? 124 SER   A CB   1 ? 
ATOM   1721 O OG   . SER   A 1 112 ? -1.709 2.094   13.74   1   36.072 ? 124 SER   A OG   1 ? 
ATOM   1722 H H    . SER   A 1 112 ? 0.416  5.039   14.815  1   28.395 ? 124 SER   A H    1 c 
ATOM   1723 H HA   . SER   A 1 112 ? 0.855  2.601   13.881  1   29.248 ? 124 SER   A HA   1 c 
ATOM   1724 H HB2  . SER   A 1 112 ? -1.009 3.23    15.176  1   31.588 ? 124 SER   A HB2  1 c 
ATOM   1725 H HB3  . SER   A 1 112 ? -1.597 4.039   13.952  1   31.58  ? 124 SER   A HB3  1 c 
ATOM   1726 H HG   . SER   A 1 112 ? -2.478 2.043   14.091  0   33.89  ? 124 SER   A HG   1 c 
ATOM   1727 N N    . ASN   A 1 113 ? 0.642  2.412   11.409  1   21.394 ? 125 ASN   A N    1 ? 
ATOM   1728 C CA   . ASN   A 1 113 ? 0.433  2.223   9.977   1   22.811 ? 125 ASN   A CA   1 ? 
ATOM   1729 C C    . ASN   A 1 113 ? 1.079  3.334   9.168   1   20.317 ? 125 ASN   A C    1 ? 
ATOM   1730 O O    . ASN   A 1 113 ? 0.456  3.834   8.232   1   21.23  ? 125 ASN   A O    1 ? 
ATOM   1731 C CB   . ASN   A 1 113 ? -1.052 2.13    9.626   1   24.892 ? 125 ASN   A CB   1 ? 
ATOM   1732 C CG   . ASN   A 1 113 ? -1.634 0.84    10.102  1   25.678 ? 125 ASN   A CG   1 ? 
ATOM   1733 O OD1  . ASN   A 1 113 ? -2.801 0.821   10.519  1   31.05  ? 125 ASN   A OD1  1 ? 
ATOM   1734 N ND2  . ASN   A 1 113 ? -0.895 -0.235  9.901   1   26.216 ? 125 ASN   A ND2  1 ? 
ATOM   1735 H H    . ASN   A 1 113 ? 1.05   1.737   11.87   1   22.694 ? 125 ASN   A H    1 c 
ATOM   1736 H HA   . ASN   A 1 113 ? 0.857  1.377   9.719   1   22.998 ? 125 ASN   A HA   1 c 
ATOM   1737 H HB2  . ASN   A 1 113 ? -1.532 2.875   10.039  1   24.91  ? 125 ASN   A HB2  1 c 
ATOM   1738 H HB3  . ASN   A 1 113 ? -1.163 2.194   8.657   1   25.003 ? 125 ASN   A HB3  1 c 
ATOM   1739 H HD21 . ASN   A 1 113 ? -1.141 -1.005  10.267  1   26.421 ? 125 ASN   A HD21 1 c 
ATOM   1740 H HD22 . ASN   A 1 113 ? -0.172 -0.206  9.389   1   26.464 ? 125 ASN   A HD22 1 c 
ATOM   1741 N N    . ALA   A 1 114 ? 2.319  3.709   9.516   1   21.059 ? 126 ALA   A N    1 ? 
ATOM   1742 C CA   . ALA   A 1 114 ? 3.017  4.775   8.826   1   19.164 ? 126 ALA   A CA   1 ? 
ATOM   1743 C C    . ALA   A 1 114 ? 3.793  4.234   7.617   1   16.855 ? 126 ALA   A C    1 ? 
ATOM   1744 O O    . ALA   A 1 114 ? 4.6    3.332   7.753   1   19.151 ? 126 ALA   A O    1 ? 
ATOM   1745 C CB   . ALA   A 1 114 ? 3.984  5.45    9.767   1   21.233 ? 126 ALA   A CB   1 ? 
ATOM   1746 H H    . ALA   A 1 114 ? 2.741  3.281   10.204  1   20.827 ? 126 ALA   A H    1 c 
ATOM   1747 H HA   . ALA   A 1 114 ? 2.347  5.441   8.507   1   19.648 ? 126 ALA   A HA   1 c 
ATOM   1748 H HB1  . ALA   A 1 114 ? 3.499  5.823   10.522  1   21.085 ? 126 ALA   A HB1  1 c 
ATOM   1749 H HB2  . ALA   A 1 114 ? 4.632  4.802   10.091  1   21.253 ? 126 ALA   A HB2  1 c 
ATOM   1750 H HB3  . ALA   A 1 114 ? 4.45   6.164   9.3     1   21.141 ? 126 ALA   A HB3  1 c 
ATOM   1751 N N    . THR   A 1 115 ? 3.551  4.848   6.466   1   17.456 ? 127 THR   A N    1 ? 
ATOM   1752 C CA   . THR   A 1 115 ? 4.434  4.731   5.317   1   17.622 ? 127 THR   A CA   1 ? 
ATOM   1753 C C    . THR   A 1 115 ? 5.588  5.714   5.462   1   16.922 ? 127 THR   A C    1 ? 
ATOM   1754 O O    . THR   A 1 115 ? 5.382  6.868   5.839   1   17.51  ? 127 THR   A O    1 ? 
ATOM   1755 C CB   . THR   A 1 115 ? 3.642  4.956   4.024   1   19.848 ? 127 THR   A CB   1 ? 
ATOM   1756 O OG1  . THR   A 1 115 ? 2.755  3.85    3.852   1   23.253 ? 127 THR   A OG1  1 ? 
ATOM   1757 C CG2  . THR   A 1 115 ? 4.52   5.014   2.792   1   18.899 ? 127 THR   A CG2  1 ? 
ATOM   1758 H H    . THR   A 1 115 ? 2.801  5.364   6.388   1   17.558 ? 127 THR   A H    1 c 
ATOM   1759 H HA   . THR   A 1 115 ? 4.796  3.82    5.302   1   17.946 ? 127 THR   A HA   1 c 
ATOM   1760 H HB   . THR   A 1 115 ? 3.119  5.79    4.092   1   19.917 ? 127 THR   A HB   1 c 
ATOM   1761 H HG1  . THR   A 1 115 ? 3.232  3.122   3.787   0   22.94  ? 127 THR   A HG1  1 c 
ATOM   1762 H HG21 . THR   A 1 115 ? 3.971  5.201   2.012   1   19.051 ? 127 THR   A HG21 1 c 
ATOM   1763 H HG22 . THR   A 1 115 ? 4.968  4.161   2.672   1   19.147 ? 127 THR   A HG22 1 c 
ATOM   1764 H HG23 . THR   A 1 115 ? 5.183  5.715   2.893   1   19.113 ? 127 THR   A HG23 1 c 
ATOM   1765 N N    . LEU   A 1 116 ? 6.801  5.242   5.144   1   15.471 ? 128 LEU   A N    1 ? 
ATOM   1766 C CA   . LEU   A 1 116 ? 8.016  6.043   5.259   1   15.351 ? 128 LEU   A CA   1 ? 
ATOM   1767 C C    . LEU   A 1 116 ? 8.667  6.228   3.883   1   15.313 ? 128 LEU   A C    1 ? 
ATOM   1768 O O    . LEU   A 1 116 ? 8.666  5.333   3.017   1   15.411 ? 128 LEU   A O    1 ? 
ATOM   1769 C CB   . LEU   A 1 116 ? 9.041  5.355   6.151   1   16.338 ? 128 LEU   A CB   1 ? 
ATOM   1770 C CG   . LEU   A 1 116 ? 8.59   4.922   7.556   1   20.634 ? 128 LEU   A CG   1 ? 
ATOM   1771 C CD1  . LEU   A 1 116 ? 9.791  4.624   8.449   1   21.771 ? 128 LEU   A CD1  1 ? 
ATOM   1772 C CD2  . LEU   A 1 116 ? 7.726  5.866   8.211   1   21.881 ? 128 LEU   A CD2  1 ? 
ATOM   1773 H H    . LEU   A 1 116 ? 6.875  4.384   4.839   1   15.766 ? 128 LEU   A H    1 c 
ATOM   1774 H HA   . LEU   A 1 116 ? 7.786  6.929   5.637   1   15.514 ? 128 LEU   A HA   1 c 
ATOM   1775 H HB2  . LEU   A 1 116 ? 9.368  4.556   5.676   1   16.742 ? 128 LEU   A HB2  1 c 
ATOM   1776 H HB3  . LEU   A 1 116 ? 9.809  5.962   6.251   1   16.471 ? 128 LEU   A HB3  1 c 
ATOM   1777 H HG   . LEU   A 1 116 ? 8.079  4.077   7.458   1   20.168 ? 128 LEU   A HG   1 c 
ATOM   1778 H HD11 . LEU   A 1 116 ? 10.32  3.911   8.054   1   21.663 ? 128 LEU   A HD11 1 c 
ATOM   1779 H HD12 . LEU   A 1 116 ? 9.482  4.346   9.327   1   21.65  ? 128 LEU   A HD12 1 c 
ATOM   1780 H HD13 . LEU   A 1 116 ? 10.338 5.422   8.536   1   21.599 ? 128 LEU   A HD13 1 c 
ATOM   1781 H HD21 . LEU   A 1 116 ? 6.91   5.976   7.699   1   21.5   ? 128 LEU   A HD21 1 c 
ATOM   1782 H HD22 . LEU   A 1 116 ? 8.18   6.721   8.283   1   21.715 ? 128 LEU   A HD22 1 c 
ATOM   1783 H HD23 . LEU   A 1 116 ? 7.505  5.542   9.101   1   21.725 ? 128 LEU   A HD23 1 c 
ATOM   1784 N N    . PHE   A 1 117 ? 9.291  7.384   3.724   1   14.414 ? 129 PHE   A N    1 ? 
ATOM   1785 C CA   . PHE   A 1 117 ? 10.079 7.682   2.537   1   14.317 ? 129 PHE   A CA   1 ? 
ATOM   1786 C C    . PHE   A 1 117 ? 11.517 7.979   2.956   1   14.418 ? 129 PHE   A C    1 ? 
ATOM   1787 O O    . PHE   A 1 117 ? 11.728 8.731   3.911   1   16.186 ? 129 PHE   A O    1 ? 
ATOM   1788 C CB   . PHE   A 1 117 ? 9.49   8.895   1.831   1   14.119 ? 129 PHE   A CB   1 ? 
ATOM   1789 C CG   . PHE   A 1 117 ? 10.339 9.324   0.637   1   15.422 ? 129 PHE   A CG   1 ? 
ATOM   1790 C CD1  . PHE   A 1 117 ? 10.181 8.73    -0.61   1   16.993 ? 129 PHE   A CD1  1 ? 
ATOM   1791 C CD2  . PHE   A 1 117 ? 11.364 10.261  0.783   1   17.384 ? 129 PHE   A CD2  1 ? 
ATOM   1792 C CE1  . PHE   A 1 117 ? 10.972 9.13    -1.676  1   18.033 ? 129 PHE   A CE1  1 ? 
ATOM   1793 C CE2  . PHE   A 1 117 ? 12.142 10.63   -0.286  1   17.816 ? 129 PHE   A CE2  1 ? 
ATOM   1794 C CZ   . PHE   A 1 117 ? 11.948 10.057  -1.506  1   17.794 ? 129 PHE   A CZ   1 ? 
ATOM   1795 H H    . PHE   A 1 117 ? 9.229  8.019   4.378   1   14.417 ? 129 PHE   A H    1 c 
ATOM   1796 H HA   . PHE   A 1 117 ? 10.064 6.903   1.923   1   14.289 ? 129 PHE   A HA   1 c 
ATOM   1797 H HB2  . PHE   A 1 117 ? 8.583  8.674   1.522   1   14.276 ? 129 PHE   A HB2  1 c 
ATOM   1798 H HB3  . PHE   A 1 117 ? 9.43   9.638   2.471   1   14.271 ? 129 PHE   A HB3  1 c 
ATOM   1799 H HD1  . PHE   A 1 117 ? 9.506  8.082   -0.74   1   16.85  ? 129 PHE   A HD1  1 c 
ATOM   1800 H HD2  . PHE   A 1 117 ? 11.507 10.664  1.624   1   17.042 ? 129 PHE   A HD2  1 c 
ATOM   1801 H HE1  . PHE   A 1 117 ? 10.843 8.738   -2.525  1   17.806 ? 129 PHE   A HE1  1 c 
ATOM   1802 H HE2  . PHE   A 1 117 ? 12.816 11.28   -0.173  1   17.717 ? 129 PHE   A HE2  1 c 
ATOM   1803 H HZ   . PHE   A 1 117 ? 12.485 10.314  -2.237  1   17.725 ? 129 PHE   A HZ   1 c 
ATOM   1804 N N    . PHE   A 1 118 ? 12.488 7.41    2.246   1   13.073 ? 130 PHE   A N    1 ? 
ATOM   1805 C CA   . PHE   A 1 118 ? 13.874 7.783   2.462   1   11.775 ? 130 PHE   A CA   1 ? 
ATOM   1806 C C    . PHE   A 1 118 ? 14.593 8.09    1.153   1   11.884 ? 130 PHE   A C    1 ? 
ATOM   1807 O O    . PHE   A 1 118 ? 14.357 7.464   0.137   1   12.189 ? 130 PHE   A O    1 ? 
ATOM   1808 C CB   . PHE   A 1 118 ? 14.669 6.674   3.141   1   10.96  ? 130 PHE   A CB   1 ? 
ATOM   1809 C CG   . PHE   A 1 118 ? 14.234 6.37    4.571   1   11.013 ? 130 PHE   A CG   1 ? 
ATOM   1810 C CD1  . PHE   A 1 118 ? 13.202 5.464   4.821   1   12.406 ? 130 PHE   A CD1  1 ? 
ATOM   1811 C CD2  . PHE   A 1 118 ? 14.888 6.941   5.648   1   11.31  ? 130 PHE   A CD2  1 ? 
ATOM   1812 C CE1  . PHE   A 1 118 ? 12.827 5.166   6.122   1   12.278 ? 130 PHE   A CE1  1 ? 
ATOM   1813 C CE2  . PHE   A 1 118 ? 14.509 6.629   6.946   1   13.074 ? 130 PHE   A CE2  1 ? 
ATOM   1814 C CZ   . PHE   A 1 118 ? 13.45  5.759   7.169   1   12.982 ? 130 PHE   A CZ   1 ? 
ATOM   1815 H H    . PHE   A 1 118 ? 12.288 6.778   1.616   1   12.972 ? 130 PHE   A H    1 c 
ATOM   1816 H HA   . PHE   A 1 118 ? 13.899 8.589   3.038   1   11.947 ? 130 PHE   A HA   1 c 
ATOM   1817 H HB2  . PHE   A 1 118 ? 14.583 5.856   2.603   1   11.114 ? 130 PHE   A HB2  1 c 
ATOM   1818 H HB3  . PHE   A 1 118 ? 15.618 6.931   3.148   1   11.126 ? 130 PHE   A HB3  1 c 
ATOM   1819 H HD1  . PHE   A 1 118 ? 12.751 5.06    4.097   1   12.13  ? 130 PHE   A HD1  1 c 
ATOM   1820 H HD2  . PHE   A 1 118 ? 15.599 7.544   5.497   1   11.69  ? 130 PHE   A HD2  1 c 
ATOM   1821 H HE1  . PHE   A 1 118 ? 12.116 4.565   6.278   1   12.394 ? 130 PHE   A HE1  1 c 
ATOM   1822 H HE2  . PHE   A 1 118 ? 14.948 7.037   7.676   1   12.702 ? 130 PHE   A HE2  1 c 
ATOM   1823 H HZ   . PHE   A 1 118 ? 13.19  5.548   8.052   1   12.89  ? 130 PHE   A HZ   1 c 
ATOM   1824 N N    . GLU   A 1 119 ? 15.555 9       1.276   1   12.565 ? 131 GLU   A N    1 ? 
ATOM   1825 C CA   . GLU   A 1 119 ? 16.619 9.146   0.315   1   11.909 ? 131 GLU   A CA   1 ? 
ATOM   1826 C C    . GLU   A 1 119 ? 17.89  8.672   1.021   1   11.918 ? 131 GLU   A C    1 ? 
ATOM   1827 O O    . GLU   A 1 119 ? 18.156 9.088   2.137   1   13.659 ? 131 GLU   A O    1 ? 
ATOM   1828 C CB   . GLU   A 1 119 ? 16.759 10.594  -0.138  1   13.621 ? 131 GLU   A CB   1 ? 
ATOM   1829 C CG   . GLU   A 1 119 ? 17.972 10.873  -1.023  1   13.03  ? 131 GLU   A CG   1 ? 
ATOM   1830 C CD   . GLU   A 1 119 ? 17.984 12.342  -1.442  1   14.347 ? 131 GLU   A CD   1 ? 
ATOM   1831 O OE1  . GLU   A 1 119 ? 17.191 12.697  -2.357  1   13.761 ? 131 GLU   A OE1  1 ? 
ATOM   1832 O OE2  . GLU   A 1 119 ? 18.742 13.152  -0.83   1   15.758 ? 131 GLU   A OE2  1 ? 
ATOM   1833 H H    . GLU   A 1 119 ? 15.543 9.561   1.997   1   12.342 ? 131 GLU   A H    1 c 
ATOM   1834 H HA   . GLU   A 1 119 ? 16.436 8.564   -0.463  1   12.207 ? 131 GLU   A HA   1 c 
ATOM   1835 H HB2  . GLU   A 1 119 ? 15.949 10.848  -0.628  1   13.241 ? 131 GLU   A HB2  1 c 
ATOM   1836 H HB3  . GLU   A 1 119 ? 16.815 11.165  0.657   1   13.212 ? 131 GLU   A HB3  1 c 
ATOM   1837 H HG2  . GLU   A 1 119 ? 18.797 10.671  -0.533  1   13.379 ? 131 GLU   A HG2  1 c 
ATOM   1838 H HG3  . GLU   A 1 119 ? 17.936 10.308  -1.823  1   13.359 ? 131 GLU   A HG3  1 c 
ATOM   1839 N N    . ILE   A 1 120 ? 18.613 7.751   0.387   1   11.661 ? 132 ILE   A N    1 ? 
ATOM   1840 C CA   . ILE   A 1 120 ? 19.798 7.154   0.967   1   9.974  ? 132 ILE   A CA   1 ? 
ATOM   1841 C C    . ILE   A 1 120 ? 20.93  7.259   -0.063  1   10.521 ? 132 ILE   A C    1 ? 
ATOM   1842 O O    . ILE   A 1 120 ? 20.767 6.861   -1.21   1   10.261 ? 132 ILE   A O    1 ? 
ATOM   1843 C CB   . ILE   A 1 120 ? 19.561 5.689   1.354   1   10.607 ? 132 ILE   A CB   1 ? 
ATOM   1844 C CG1  . ILE   A 1 120 ? 18.318 5.496   2.261   1   11.853 ? 132 ILE   A CG1  1 ? 
ATOM   1845 C CG2  . ILE   A 1 120 ? 20.809 5.06    1.934   1   11.924 ? 132 ILE   A CG2  1 ? 
ATOM   1846 C CD1  . ILE   A 1 120 ? 18.016 4.032   2.593   1   12.095 ? 132 ILE   A CD1  1 ? 
ATOM   1847 H H    . ILE   A 1 120 ? 18.355 7.484   -0.448  1   11.292 ? 132 ILE   A H    1 c 
ATOM   1848 H HA   . ILE   A 1 120 ? 20.047 7.654   1.767   1   10.392 ? 132 ILE   A HA   1 c 
ATOM   1849 H HB   . ILE   A 1 120 ? 19.37  5.212   0.522   1   10.841 ? 132 ILE   A HB   1 c 
ATOM   1850 H HG12 . ILE   A 1 120 ? 18.459 5.986   3.096   1   11.672 ? 132 ILE   A HG12 1 c 
ATOM   1851 H HG13 . ILE   A 1 120 ? 17.538 5.884   1.814   1   11.667 ? 132 ILE   A HG13 1 c 
ATOM   1852 H HG21 . ILE   A 1 120 ? 20.635 4.131   2.156   1   11.609 ? 132 ILE   A HG21 1 c 
ATOM   1853 H HG22 . ILE   A 1 120 ? 21.073 5.539   2.737   1   11.632 ? 132 ILE   A HG22 1 c 
ATOM   1854 H HG23 . ILE   A 1 120 ? 21.529 5.102   1.283   1   11.801 ? 132 ILE   A HG23 1 c 
ATOM   1855 H HD11 . ILE   A 1 120 ? 17.887 3.53    1.767   1   12     ? 132 ILE   A HD11 1 c 
ATOM   1856 H HD12 . ILE   A 1 120 ? 17.203 3.985   3.13    1   11.839 ? 132 ILE   A HD12 1 c 
ATOM   1857 H HD13 . ILE   A 1 120 ? 18.756 3.643   3.096   1   12.062 ? 132 ILE   A HD13 1 c 
ATOM   1858 N N    . GLU   A 1 121 ? 22.095 7.717   0.411   1   11.299 ? 133 GLU   A N    1 ? 
ATOM   1859 C CA   . GLU   A 1 121 ? 23.335 7.659   -0.331  1   12.305 ? 133 GLU   A CA   1 ? 
ATOM   1860 C C    . GLU   A 1 121 ? 24.261 6.644   0.324   1   11.285 ? 133 GLU   A C    1 ? 
ATOM   1861 O O    . GLU   A 1 121 ? 24.581 6.796   1.499   1   11.576 ? 133 GLU   A O    1 ? 
ATOM   1862 C CB   . GLU   A 1 121 ? 23.994 9.03    -0.356  1   13.269 ? 133 GLU   A CB   1 ? 
ATOM   1863 C CG   . GLU   A 1 121 ? 25.341 9.029   -1.056  1   15.005 ? 133 GLU   A CG   1 ? 
ATOM   1864 C CD   . GLU   A 1 121 ? 25.978 10.396  -1.221  1   18.748 ? 133 GLU   A CD   1 ? 
ATOM   1865 O OE1  . GLU   A 1 121 ? 25.563 11.335  -0.521  1   22.754 ? 133 GLU   A OE1  1 ? 
ATOM   1866 O OE2  . GLU   A 1 121 ? 26.984 10.502  -1.954  1   22.573 ? 133 GLU   A OE2  1 ? 
ATOM   1867 H H    . GLU   A 1 121 ? 22.111 8.087   1.246   1   11.266 ? 133 GLU   A H    1 c 
ATOM   1868 H HA   . GLU   A 1 121 ? 23.14  7.374   -1.257  1   12.046 ? 133 GLU   A HA   1 c 
ATOM   1869 H HB2  . GLU   A 1 121 ? 23.396 9.662   -0.806  1   13.233 ? 133 GLU   A HB2  1 c 
ATOM   1870 H HB3  . GLU   A 1 121 ? 24.115 9.34    0.566   1   13.361 ? 133 GLU   A HB3  1 c 
ATOM   1871 H HG2  . GLU   A 1 121 ? 25.962 8.462   -0.551  1   15.088 ? 133 GLU   A HG2  1 c 
ATOM   1872 H HG3  . GLU   A 1 121 ? 25.236 8.629   -1.945  1   15.053 ? 133 GLU   A HG3  1 c 
ATOM   1873 N N    . LEU   A 1 122 ? 24.624 5.587   -0.409  1   10.239 ? 134 LEU   A N    1 ? 
ATOM   1874 C CA   . LEU   A 1 122 ? 25.54  4.584   0.126   1   11.559 ? 134 LEU   A CA   1 ? 
ATOM   1875 C C    . LEU   A 1 122 ? 26.973 5.079   -0.099  1   12.791 ? 134 LEU   A C    1 ? 
ATOM   1876 O O    . LEU   A 1 122 ? 27.457 5.172   -1.239  1   15.547 ? 134 LEU   A O    1 ? 
ATOM   1877 C CB   . LEU   A 1 122 ? 25.348 3.208   -0.51   1   11.1   ? 134 LEU   A CB   1 ? 
ATOM   1878 C CG   . LEU   A 1 122 ? 26.318 2.12    -0.033  1   11.238 ? 134 LEU   A CG   1 ? 
ATOM   1879 C CD1  . LEU   A 1 122 ? 26.131 1.955   1.469   1   11.305 ? 134 LEU   A CD1  1 ? 
ATOM   1880 C CD2  . LEU   A 1 122 ? 26.032 0.809   -0.764  1   12.949 ? 134 LEU   A CD2  1 ? 
ATOM   1881 H H    . LEU   A 1 122 ? 24.3   5.486   -1.258  1   10.546 ? 134 LEU   A H    1 c 
ATOM   1882 H HA   . LEU   A 1 122 ? 25.38  4.513   1.1     1   11.506 ? 134 LEU   A HA   1 c 
ATOM   1883 H HB2  . LEU   A 1 122 ? 24.428 2.908   -0.324  1   11.253 ? 134 LEU   A HB2  1 c 
ATOM   1884 H HB3  . LEU   A 1 122 ? 25.443 3.303   -1.485  1   11.146 ? 134 LEU   A HB3  1 c 
ATOM   1885 H HG   . LEU   A 1 122 ? 27.249 2.405   -0.221  1   11.296 ? 134 LEU   A HG   1 c 
ATOM   1886 H HD11 . LEU   A 1 122 ? 26.374 2.779   1.922   1   11.274 ? 134 LEU   A HD11 1 c 
ATOM   1887 H HD12 . LEU   A 1 122 ? 26.699 1.233   1.788   1   11.286 ? 134 LEU   A HD12 1 c 
ATOM   1888 H HD13 . LEU   A 1 122 ? 25.202 1.743   1.66    1   11.329 ? 134 LEU   A HD13 1 c 
ATOM   1889 H HD21 . LEU   A 1 122 ? 26.138 0.939   -1.719  1   12.632 ? 134 LEU   A HD21 1 c 
ATOM   1890 H HD22 . LEU   A 1 122 ? 25.122 0.524   -0.576  1   12.575 ? 134 LEU   A HD22 1 c 
ATOM   1891 H HD23 . LEU   A 1 122 ? 26.653 0.125   -0.46   1   12.586 ? 134 LEU   A HD23 1 c 
ATOM   1892 N N    . LEU   A 1 123 ? 27.663 5.467   0.978   1   11.636 ? 135 LEU   A N    1 ? 
ATOM   1893 C CA   . LEU   A 1 123 ? 28.973 6.086   0.83    1   13.687 ? 135 LEU   A CA   1 ? 
ATOM   1894 C C    . LEU   A 1 123 ? 30.026 4.997   0.729   1   13.044 ? 135 LEU   A C    1 ? 
ATOM   1895 O O    . LEU   A 1 123 ? 30.99  5.11    -0.095  1   15.308 ? 135 LEU   A O    1 ? 
ATOM   1896 C CB   . LEU   A 1 123 ? 29.289 6.971   2.033   1   16.24  ? 135 LEU   A CB   1 ? 
ATOM   1897 C CG   . LEU   A 1 123 ? 28.279 8.085   2.291   1   18.098 ? 135 LEU   A CG   1 ? 
ATOM   1898 C CD1  . LEU   A 1 123 ? 28.46  8.637   3.693   1   20.242 ? 135 LEU   A CD1  1 ? 
ATOM   1899 C CD2  . LEU   A 1 123 ? 28.426 9.143   1.186   1   20.602 ? 135 LEU   A CD2  1 ? 
ATOM   1900 H H    . LEU   A 1 123 ? 27.316 5.346   1.815   1   11.562 ? 135 LEU   A H    1 c 
ATOM   1901 H HA   . LEU   A 1 123 ? 28.984 6.63    0.003   1   13.585 ? 135 LEU   A HA   1 c 
ATOM   1902 H HB2  . LEU   A 1 123 ? 29.338 6.399   2.833   1   16.022 ? 135 LEU   A HB2  1 c 
ATOM   1903 H HB3  . LEU   A 1 123 ? 30.175 7.377   1.894   1   16.063 ? 135 LEU   A HB3  1 c 
ATOM   1904 H HG   . LEU   A 1 123 ? 27.368 7.699   2.229   1   18.383 ? 135 LEU   A HG   1 c 
ATOM   1905 H HD11 . LEU   A 1 123 ? 28.33  7.925   4.341   1   19.863 ? 135 LEU   A HD11 1 c 
ATOM   1906 H HD12 . LEU   A 1 123 ? 27.809 9.34    3.852   1   19.791 ? 135 LEU   A HD12 1 c 
ATOM   1907 H HD13 . LEU   A 1 123 ? 29.357 8.999   3.786   1   19.839 ? 135 LEU   A HD13 1 c 
ATOM   1908 H HD21 . LEU   A 1 123 ? 28.235 8.741   0.322   1   19.983 ? 135 LEU   A HD21 1 c 
ATOM   1909 H HD22 . LEU   A 1 123 ? 29.334 9.491   1.187   1   19.975 ? 135 LEU   A HD22 1 c 
ATOM   1910 H HD23 . LEU   A 1 123 ? 27.802 9.87    1.347   1   20.108 ? 135 LEU   A HD23 1 c 
ATOM   1911 N N    . ASP   A 1 124 ? 29.9   3.936   1.537   1   12.218 ? 136 ASP   A N    1 ? 
ATOM   1912 C CA   . ASP   A 1 124 ? 30.926 2.904   1.548   1   14.602 ? 136 ASP   A CA   1 ? 
ATOM   1913 C C    . ASP   A 1 124 ? 30.356 1.707   2.289   1   12.728 ? 136 ASP   A C    1 ? 
ATOM   1914 O O    . ASP   A 1 124 ? 29.332 1.83    2.953   1   12.271 ? 136 ASP   A O    1 ? 
ATOM   1915 C CB   . ASP   A 1 124 ? 32.221 3.363   2.221   1   17.57  ? 136 ASP   A CB   1 ? 
ATOM   1916 C CG   . ASP   A 1 124 ? 33.493 2.63    1.821   1   20.034 ? 136 ASP   A CG   1 ? 
ATOM   1917 O OD1  . ASP   A 1 124 ? 33.443 1.704   0.975   1   19.237 ? 136 ASP   A OD1  1 ? 
ATOM   1918 O OD2  . ASP   A 1 124 ? 34.578 3.091   2.279   1   24.678 ? 136 ASP   A OD2  1 ? 
ATOM   1919 H H    . ASP   A 1 124 ? 29.175 3.857   2.087   1   12.606 ? 136 ASP   A H    1 c 
ATOM   1920 H HA   . ASP   A 1 124 ? 31.118 2.643   0.619   1   14.297 ? 136 ASP   A HA   1 c 
ATOM   1921 H HB2  . ASP   A 1 124 ? 32.356 4.315   2.03    1   17.329 ? 136 ASP   A HB2  1 c 
ATOM   1922 H HB3  . ASP   A 1 124 ? 32.117 3.271   3.191   1   17.226 ? 136 ASP   A HB3  1 c 
ATOM   1923 N N    . PHE   A 1 125 ? 31.03  0.583   2.156   1   14.362 ? 137 PHE   A N    1 ? 
ATOM   1924 C CA   . PHE   A 1 125 ? 30.769 -0.585  2.976   1   14.292 ? 137 PHE   A CA   1 ? 
ATOM   1925 C C    . PHE   A 1 125 ? 32.034 -1.416  3.098   1   15.275 ? 137 PHE   A C    1 ? 
ATOM   1926 O O    . PHE   A 1 125 ? 32.855 -1.477  2.182   1   17.851 ? 137 PHE   A O    1 ? 
ATOM   1927 C CB   . PHE   A 1 125 ? 29.604 -1.411  2.458   1   15.336 ? 137 PHE   A CB   1 ? 
ATOM   1928 C CG   . PHE   A 1 125 ? 29.754 -1.933  1.032   1   16.393 ? 137 PHE   A CG   1 ? 
ATOM   1929 C CD1  . PHE   A 1 125 ? 29.232 -1.194  -0.016  1   17.423 ? 137 PHE   A CD1  1 ? 
ATOM   1930 C CD2  . PHE   A 1 125 ? 30.307 -3.178  0.761   1   17.271 ? 137 PHE   A CD2  1 ? 
ATOM   1931 C CE1  . PHE   A 1 125 ? 29.302 -1.658  -1.312  1   18.056 ? 137 PHE   A CE1  1 ? 
ATOM   1932 C CE2  . PHE   A 1 125 ? 30.365 -3.651  -0.544  1   18.959 ? 137 PHE   A CE2  1 ? 
ATOM   1933 C CZ   . PHE   A 1 125 ? 29.831 -2.893  -1.562  1   18.119 ? 137 PHE   A CZ   1 ? 
ATOM   1934 H H    . PHE   A 1 125 ? 31.682 0.53    1.518   1   14.082 ? 137 PHE   A H    1 c 
ATOM   1935 H HA   . PHE   A 1 125 ? 30.53  -0.263  3.884   1   14.676 ? 137 PHE   A HA   1 c 
ATOM   1936 H HB2  . PHE   A 1 125 ? 29.478 -2.177  3.061   1   15.37  ? 137 PHE   A HB2  1 c 
ATOM   1937 H HB3  . PHE   A 1 125 ? 28.791 -0.86   2.507   1   15.337 ? 137 PHE   A HB3  1 c 
ATOM   1938 H HD1  . PHE   A 1 125 ? 28.833 -0.356  0.16    1   17.338 ? 137 PHE   A HD1  1 c 
ATOM   1939 H HD2  . PHE   A 1 125 ? 30.641 -3.706  1.468   1   17.359 ? 137 PHE   A HD2  1 c 
ATOM   1940 H HE1  . PHE   A 1 125 ? 28.952 -1.14   -2.019  1   17.926 ? 137 PHE   A HE1  1 c 
ATOM   1941 H HE2  . PHE   A 1 125 ? 30.754 -4.491  -0.728  1   18.534 ? 137 PHE   A HE2  1 c 
ATOM   1942 H HZ   . PHE   A 1 125 ? 29.891 -3.202  -2.453  1   18.069 ? 137 PHE   A HZ   1 c 
ATOM   1943 N N    . LYS   A 1 126 ? 32.165 -2.034  4.267   1   16.295 ? 138 LYS   A N    1 ? 
ATOM   1944 C CA   . LYS   A 1 126 ? 33.415 -2.713  4.621   1   18.858 ? 138 LYS   A CA   1 ? 
ATOM   1945 C C    . LYS   A 1 126 ? 33.035 -4.006  5.32    1   21.533 ? 138 LYS   A C    1 ? 
ATOM   1946 O O    . LYS   A 1 126 ? 32.13  -4.044  6.139   1   20.533 ? 138 LYS   A O    1 ? 
ATOM   1947 C CB   . LYS   A 1 126 ? 34.321 -1.863  5.532   1   20.884 ? 138 LYS   A CB   1 ? 
ATOM   1948 H H    . LYS   A 1 126 ? 31.47  -2.042  4.861   1   16.582 ? 138 LYS   A H    1 c 
ATOM   1949 H HA   . LYS   A 1 126 ? 33.904 -2.931  3.788   1   19.093 ? 138 LYS   A HA   1 c 
ATOM   1950 H HB2  . LYS   A 1 126 ? 35.252 -2.063  5.322   0   21.58  ? 138 LYS   A HB2  1 c 
ATOM   1951 H HB3  . LYS   A 1 126 ? 33.746 -1.325  6.12    0   21.58  ? 138 LYS   A HB3  1 c 
ATOM   1952 N N    . GLY   A 1 127 ? 33.78  -5.059  5.022   1   24.917 ? 139 GLY   A N    1 ? 
ATOM   1953 C CA   . GLY   A 1 127 ? 33.54  -6.34   5.64    1   27.627 ? 139 GLY   A CA   1 ? 
ATOM   1954 C C    . GLY   A 1 127 ? 33.899 -6.31   7.121   1   34.018 ? 139 GLY   A C    1 ? 
ATOM   1955 O O    . GLY   A 1 127 ? 34.718 -5.504  7.56    1   36.838 ? 139 GLY   A O    1 ? 
ATOM   1956 H H    . GLY   A 1 127 ? 34.462 -4.978  4.418   1   24.251 ? 139 GLY   A H    1 c 
ATOM   1957 H HA2  . GLY   A 1 127 ? 32.591 -6.578  5.534   1   27.92  ? 139 GLY   A HA2  1 c 
ATOM   1958 H HA3  . GLY   A 1 127 ? 34.078 -7.025  5.184   1   28.141 ? 139 GLY   A HA3  1 c 
ATOM   1959 N N    . GLU   A 1 128 ? 33.275 -7.252  7.838   1   42.418 ? 140 GLU   A N    1 ? 
ATOM   1960 C CA   . GLU   A 1 128 ? 33.391 -7.468  9.273   1   51.64  ? 140 GLU   A CA   1 ? 
ATOM   1961 C C    . GLU   A 1 128 ? 34.868 -7.551  9.712   1   58.186 ? 140 GLU   A C    1 ? 
ATOM   1962 O O    . GLU   A 1 128 ? 35.607 -8.348  9.067   1   56.934 ? 140 GLU   A O    1 ? 
ATOM   1963 C CB   . GLU   A 1 128 ? 32.67  -8.78   9.601   1   47.659 ? 140 GLU   A CB   1 ? 
ATOM   1964 O OXT  . GLU   A 1 128 ? 35.238 -6.782  10.65   1   67.98  ? 140 GLU   A OXT  1 ? 
ATOM   1965 H H    . GLU   A 1 128 ? 32.722 -7.817  7.378   1   41.353 ? 140 GLU   A H    1 c 
ATOM   1966 H HA   . GLU   A 1 128 ? 32.951 -6.716  9.745   1   50.189 ? 140 GLU   A HA   1 c 
ATOM   1967 H HB2  . GLU   A 1 128 ? 33.334 -9.476  9.749   0   47.58  ? 140 GLU   A HB2  1 c 
ATOM   1968 H HB3  . GLU   A 1 128 ? 31.694 -8.629  9.545   0   47.58  ? 140 GLU   A HB3  1 c 
ATOM   1969 N N    . GLY   B 1 1   ? 34.387 13.512  -24.875 1   31.098 ? 13  GLY   B N    1 ? 
ATOM   1970 C CA   . GLY   B 1 1   ? 33.012 13.638  -25.382 1   28.543 ? 13  GLY   B CA   1 ? 
ATOM   1971 C C    . GLY   B 1 1   ? 32.261 12.317  -25.279 1   28.644 ? 13  GLY   B C    1 ? 
ATOM   1972 O O    . GLY   B 1 1   ? 32.704 11.371  -24.626 1   30.693 ? 13  GLY   B O    1 ? 
ATOM   1973 H H1   . GLY   B 1 1   ? 34.813 14.308  -24.932 1   30.683 ? 13  GLY   B H1   1 c 
ATOM   1974 H H2   . GLY   B 1 1   ? 34.842 12.901  -25.365 1   30.808 ? 13  GLY   B H2   1 c 
ATOM   1975 H H3   . GLY   B 1 1   ? 34.376 13.245  -24.011 1   30.82  ? 13  GLY   B H3   1 c 
ATOM   1976 H HA2  . GLY   B 1 1   ? 32.54  14.325  -24.859 1   29.197 ? 13  GLY   B HA2  1 c 
ATOM   1977 H HA3  . GLY   B 1 1   ? 33.038 13.934  -26.323 1   29.224 ? 13  GLY   B HA3  1 c 
ATOM   1978 N N    . ALA   B 1 2   ? 31.096 12.265  -25.923 1   24.953 ? 14  ALA   B N    1 ? 
ATOM   1979 C CA   . ALA   B 1 2   ? 30.278 11.063  -25.905 1   23.767 ? 14  ALA   B CA   1 ? 
ATOM   1980 C C    . ALA   B 1 2   ? 31.092 9.814   -26.285 1   24.35  ? 14  ALA   B C    1 ? 
ATOM   1981 O O    . ALA   B 1 2   ? 30.962 8.788   -25.622 1   22.084 ? 14  ALA   B O    1 ? 
ATOM   1982 C CB   . ALA   B 1 2   ? 29.073 11.265  -26.794 1   22.779 ? 14  ALA   B CB   1 ? 
ATOM   1983 H H    . ALA   B 1 2   ? 30.804 12.995  -26.388 1   25.291 ? 14  ALA   B H    1 c 
ATOM   1984 H HA   . ALA   B 1 2   ? 29.956 10.936  -24.97  1   23.892 ? 14  ALA   B HA   1 c 
ATOM   1985 H HB1  . ALA   B 1 2   ? 28.553 12.019  -26.474 1   23.061 ? 14  ALA   B HB1  1 c 
ATOM   1986 H HB2  . ALA   B 1 2   ? 29.36  11.44   -27.705 1   22.957 ? 14  ALA   B HB2  1 c 
ATOM   1987 H HB3  . ALA   B 1 2   ? 28.52  10.466  -26.782 1   23.03  ? 14  ALA   B HB3  1 c 
ATOM   1988 N N    . PRO   B 1 3   ? 31.903 9.795   -27.375 1   24.416 ? 15  PRO   B N    1 ? 
ATOM   1989 C CA   . PRO   B 1 3   ? 32.614 8.568   -27.73  1   25.777 ? 15  PRO   B CA   1 ? 
ATOM   1990 C C    . PRO   B 1 3   ? 33.532 8.074   -26.602 1   25.427 ? 15  PRO   B C    1 ? 
ATOM   1991 O O    . PRO   B 1 3   ? 33.53  6.889   -26.261 1   25.24  ? 15  PRO   B O    1 ? 
ATOM   1992 C CB   . PRO   B 1 3   ? 33.368 8.935   -29.018 1   25.339 ? 15  PRO   B CB   1 ? 
ATOM   1993 C CG   . PRO   B 1 3   ? 32.52  10.049  -29.598 1   25.686 ? 15  PRO   B CG   1 ? 
ATOM   1994 C CD   . PRO   B 1 3   ? 32.034 10.839  -28.401 1   24.046 ? 15  PRO   B CD   1 ? 
ATOM   1995 H HA   . PRO   B 1 3   ? 31.958 7.869   -27.935 1   25.704 ? 15  PRO   B HA   1 c 
ATOM   1996 H HB2  . PRO   B 1 3   ? 34.272 9.247   -28.82  1   25.427 ? 15  PRO   B HB2  1 c 
ATOM   1997 H HB3  . PRO   B 1 3   ? 33.414 8.173   -29.628 1   25.445 ? 15  PRO   B HB3  1 c 
ATOM   1998 H HG2  . PRO   B 1 3   ? 33.052 10.616  -30.192 1   25.489 ? 15  PRO   B HG2  1 c 
ATOM   1999 H HG3  . PRO   B 1 3   ? 31.765 9.686   -30.102 1   25.393 ? 15  PRO   B HG3  1 c 
ATOM   2000 H HD2  . PRO   B 1 3   ? 32.683 11.517  -28.13  1   24.304 ? 15  PRO   B HD2  1 c 
ATOM   2001 H HD3  . PRO   B 1 3   ? 31.177 11.265  -28.582 1   24.516 ? 15  PRO   B HD3  1 c 
ATOM   2002 N N    . ALA   B 1 4   ? 34.281 8.995   -25.991 1   28.264 ? 16  ALA   B N    1 ? 
ATOM   2003 C CA   . ALA   B 1 4   ? 35.175 8.643   -24.901 1   28.782 ? 16  ALA   B CA   1 ? 
ATOM   2004 C C    . ALA   B 1 4   ? 34.413 8.052   -23.711 1   29.913 ? 16  ALA   B C    1 ? 
ATOM   2005 O O    . ALA   B 1 4   ? 34.908 7.128   -23.049 1   30.759 ? 16  ALA   B O    1 ? 
ATOM   2006 C CB   . ALA   B 1 4   ? 35.984 9.855   -24.49  1   30.224 ? 16  ALA   B CB   1 ? 
ATOM   2007 H H    . ALA   B 1 4   ? 34.238 9.866   -26.265 1   28.013 ? 16  ALA   B H    1 c 
ATOM   2008 H HA   . ALA   B 1 4   ? 35.802 7.944   -25.236 1   29.416 ? 16  ALA   B HA   1 c 
ATOM   2009 H HB1  . ALA   B 1 4   ? 36.512 10.167  -25.245 1   30.267 ? 16  ALA   B HB1  1 c 
ATOM   2010 H HB2  . ALA   B 1 4   ? 35.386 10.564  -24.202 1   30.156 ? 16  ALA   B HB2  1 c 
ATOM   2011 H HB3  . ALA   B 1 4   ? 36.579 9.619   -23.759 1   30.11  ? 16  ALA   B HB3  1 c 
ATOM   2012 N N    . THR   B 1 5   ? 33.225 8.585   -23.42  1   26.287 ? 17  THR   B N    1 ? 
ATOM   2013 C CA   . THR   B 1 5   ? 32.438 8.059   -22.306 1   27.785 ? 17  THR   B CA   1 ? 
ATOM   2014 C C    . THR   B 1 5   ? 32.043 6.612   -22.607 1   24.538 ? 17  THR   B C    1 ? 
ATOM   2015 O O    . THR   B 1 5   ? 31.972 5.775   -21.707 1   26.172 ? 17  THR   B O    1 ? 
ATOM   2016 C CB   . THR   B 1 5   ? 31.207 8.941   -22.078 1   30.13  ? 17  THR   B CB   1 ? 
ATOM   2017 O OG1  . THR   B 1 5   ? 31.709 10.223  -21.734 1   32.963 ? 17  THR   B OG1  1 ? 
ATOM   2018 C CG2  . THR   B 1 5   ? 30.302 8.465   -20.957 1   33.078 ? 17  THR   B CG2  1 ? 
ATOM   2019 H H    . THR   B 1 5   ? 32.898 9.283   -23.91  1   27.209 ? 17  THR   B H    1 c 
ATOM   2020 H HA   . THR   B 1 5   ? 32.992 8.076   -21.496 1   27.513 ? 17  THR   B HA   1 c 
ATOM   2021 H HB   . THR   B 1 5   ? 30.685 9.006   -22.913 1   30.641 ? 17  THR   B HB   1 c 
ATOM   2022 H HG1  . THR   B 1 5   ? 32.181 10.168  -21.017 0   32.64  ? 17  THR   B HG1  1 c 
ATOM   2023 H HG21 . THR   B 1 5   ? 29.551 9.076   -20.864 1   32.576 ? 17  THR   B HG21 1 c 
ATOM   2024 H HG22 . THR   B 1 5   ? 30.802 8.44    -20.124 1   32.509 ? 17  THR   B HG22 1 c 
ATOM   2025 H HG23 . THR   B 1 5   ? 29.97  7.575   -21.16  1   32.403 ? 17  THR   B HG23 1 c 
ATOM   2026 N N    . VAL   B 1 6   ? 31.734 6.315   -23.873 1   20.298 ? 18  VAL   B N    1 ? 
ATOM   2027 C CA   . VAL   B 1 6   ? 31.378 4.948   -24.24  1   18.277 ? 18  VAL   B CA   1 ? 
ATOM   2028 C C    . VAL   B 1 6   ? 32.585 4.024   -24.061 1   19.896 ? 18  VAL   B C    1 ? 
ATOM   2029 O O    . VAL   B 1 6   ? 32.45  2.933   -23.499 1   21.644 ? 18  VAL   B O    1 ? 
ATOM   2030 C CB   . VAL   B 1 6   ? 30.75  4.84    -25.641 1   18.787 ? 18  VAL   B CB   1 ? 
ATOM   2031 C CG1  . VAL   B 1 6   ? 30.43  3.395   -25.987 1   18.416 ? 18  VAL   B CG1  1 ? 
ATOM   2032 C CG2  . VAL   B 1 6   ? 29.48  5.677   -25.74  1   18.655 ? 18  VAL   B CG2  1 ? 
ATOM   2033 H H    . VAL   B 1 6   ? 31.74  6.964   -24.516 1   20.561 ? 18  VAL   B H    1 c 
ATOM   2034 H HA   . VAL   B 1 6   ? 30.698 4.654   -23.605 1   18.801 ? 18  VAL   B HA   1 c 
ATOM   2035 H HB   . VAL   B 1 6   ? 31.407 5.183   -26.291 1   18.845 ? 18  VAL   B HB   1 c 
ATOM   2036 H HG11 . VAL   B 1 6   ? 29.829 3.027   -25.318 1   18.667 ? 18  VAL   B HG11 1 c 
ATOM   2037 H HG12 . VAL   B 1 6   ? 31.25  2.874   -26.006 1   18.625 ? 18  VAL   B HG12 1 c 
ATOM   2038 H HG13 . VAL   B 1 6   ? 30.005 3.357   -26.86  1   18.491 ? 18  VAL   B HG13 1 c 
ATOM   2039 H HG21 . VAL   B 1 6   ? 29.101 5.588   -26.63  1   18.83  ? 18  VAL   B HG21 1 c 
ATOM   2040 H HG22 . VAL   B 1 6   ? 29.69  6.61    -25.571 1   18.807 ? 18  VAL   B HG22 1 c 
ATOM   2041 H HG23 . VAL   B 1 6   ? 28.835 5.367   -25.082 1   18.842 ? 18  VAL   B HG23 1 c 
ATOM   2042 N N    . THR   B 1 7   ? 33.769 4.454   -24.502 1   22.471 ? 19  THR   B N    1 ? 
ATOM   2043 C CA   . THR   B 1 7   ? 34.996 3.696   -24.246 1   22.97  ? 19  THR   B CA   1 ? 
ATOM   2044 C C    . THR   B 1 7   ? 35.126 3.348   -22.76  1   24.971 ? 19  THR   B C    1 ? 
ATOM   2045 O O    . THR   B 1 7   ? 35.391 2.194   -22.408 1   26.487 ? 19  THR   B O    1 ? 
ATOM   2046 C CB   . THR   B 1 7   ? 36.224 4.465   -24.733 1   24.668 ? 19  THR   B CB   1 ? 
ATOM   2047 O OG1  . THR   B 1 7   ? 36.116 4.505   -26.15  1   24.004 ? 19  THR   B OG1  1 ? 
ATOM   2048 C CG2  . THR   B 1 7   ? 37.521 3.76    -24.378 1   24.748 ? 19  THR   B CG2  1 ? 
ATOM   2049 H H    . THR   B 1 7   ? 33.82  5.233   -24.978 1   21.908 ? 19  THR   B H    1 c 
ATOM   2050 H HA   . THR   B 1 7   ? 34.942 2.857   -24.754 1   23.232 ? 19  THR   B HA   1 c 
ATOM   2051 H HB   . THR   B 1 7   ? 36.225 5.383   -24.371 1   24.456 ? 19  THR   B HB   1 c 
ATOM   2052 H HG1  . THR   B 1 7   ? 36.11  3.698   -26.46  0   24.16  ? 19  THR   B HG1  1 c 
ATOM   2053 H HG21 . THR   B 1 7   ? 38.272 4.262   -24.738 1   24.79  ? 19  THR   B HG21 1 c 
ATOM   2054 H HG22 . THR   B 1 7   ? 37.519 2.866   -24.758 1   24.76  ? 19  THR   B HG22 1 c 
ATOM   2055 H HG23 . THR   B 1 7   ? 37.608 3.701   -23.412 1   24.828 ? 19  THR   B HG23 1 c 
ATOM   2056 N N    . GLU   B 1 8   ? 34.957 4.365   -21.916 1   27.446 ? 20  GLU   B N    1 ? 
ATOM   2057 C CA   . GLU   B 1 8   ? 35.214 4.266   -20.488 1   31.175 ? 20  GLU   B CA   1 ? 
ATOM   2058 C C    . GLU   B 1 8   ? 34.141 3.438   -19.789 1   30.347 ? 20  GLU   B C    1 ? 
ATOM   2059 O O    . GLU   B 1 8   ? 34.474 2.639   -18.921 1   36.197 ? 20  GLU   B O    1 ? 
ATOM   2060 C CB   . GLU   B 1 8   ? 35.314 5.641   -19.81  1   36.067 ? 20  GLU   B CB   1 ? 
ATOM   2061 C CG   . GLU   B 1 8   ? 36.415 6.538   -20.366 1   40.353 ? 20  GLU   B CG   1 ? 
ATOM   2062 C CD   . GLU   B 1 8   ? 36.355 7.976   -19.868 1   49.662 ? 20  GLU   B CD   1 ? 
ATOM   2063 O OE1  . GLU   B 1 8   ? 35.582 8.239   -18.903 1   54.41  ? 20  GLU   B OE1  1 ? 
ATOM   2064 O OE2  . GLU   B 1 8   ? 37.085 8.835   -20.452 1   50.805 ? 20  GLU   B OE2  1 ? 
ATOM   2065 H H    . GLU   B 1 8   ? 34.665 5.166   -22.247 1   27.544 ? 20  GLU   B H    1 c 
ATOM   2066 H HA   . GLU   B 1 8   ? 36.083 3.806   -20.368 1   31.075 ? 20  GLU   B HA   1 c 
ATOM   2067 H HB2  . GLU   B 1 8   ? 34.454 6.101   -19.911 1   35.871 ? 20  GLU   B HB2  1 c 
ATOM   2068 H HB3  . GLU   B 1 8   ? 35.469 5.508   -18.852 1   35.879 ? 20  GLU   B HB3  1 c 
ATOM   2069 H HG2  . GLU   B 1 8   ? 37.287 6.161   -20.118 1   40.735 ? 20  GLU   B HG2  1 c 
ATOM   2070 H HG3  . GLU   B 1 8   ? 36.365 6.543   -21.343 1   40.594 ? 20  GLU   B HG3  1 c 
ATOM   2071 N N    . GLN   B 1 9   ? 32.867 3.629   -20.135 1   27.563 ? 21  GLN   B N    1 ? 
ATOM   2072 C CA   . GLN   B 1 9   ? 31.764 3.114   -19.33  1   27.87  ? 21  GLN   B CA   1 ? 
ATOM   2073 C C    . GLN   B 1 9   ? 30.819 2.22    -20.133 1   25.03  ? 21  GLN   B C    1 ? 
ATOM   2074 O O    . GLN   B 1 9   ? 29.894 1.66    -19.559 1   26.311 ? 21  GLN   B O    1 ? 
ATOM   2075 C CB   . GLN   B 1 9   ? 30.907 4.249   -18.771 1   33.064 ? 21  GLN   B CB   1 ? 
ATOM   2076 C CG   . GLN   B 1 9   ? 31.624 5.197   -17.812 1   36.73  ? 21  GLN   B CG   1 ? 
ATOM   2077 C CD   . GLN   B 1 9   ? 30.727 6.329   -17.377 1   41.142 ? 21  GLN   B CD   1 ? 
ATOM   2078 O OE1  . GLN   B 1 9   ? 29.553 6.124   -17.051 1   52.279 ? 21  GLN   B OE1  1 ? 
ATOM   2079 N NE2  . GLN   B 1 9   ? 31.245 7.546   -17.423 1   44.837 ? 21  GLN   B NE2  1 ? 
ATOM   2080 H H    . GLN   B 1 9   ? 32.675 4.112   -20.887 1   28.008 ? 21  GLN   B H    1 c 
ATOM   2081 H HA   . GLN   B 1 9   ? 32.135 2.589   -18.577 1   27.841 ? 21  GLN   B HA   1 c 
ATOM   2082 H HB2  . GLN   B 1 9   ? 30.558 4.77    -19.523 1   32.521 ? 21  GLN   B HB2  1 c 
ATOM   2083 H HB3  . GLN   B 1 9   ? 30.14  3.856   -18.304 1   32.406 ? 21  GLN   B HB3  1 c 
ATOM   2084 H HG2  . GLN   B 1 9   ? 31.921 4.699   -17.021 1   36.752 ? 21  GLN   B HG2  1 c 
ATOM   2085 H HG3  . GLN   B 1 9   ? 32.42  5.565   -18.253 1   36.655 ? 21  GLN   B HG3  1 c 
ATOM   2086 H HE21 . GLN   B 1 9   ? 30.758 8.241   -17.162 1   43.998 ? 21  GLN   B HE21 1 c 
ATOM   2087 H HE22 . GLN   B 1 9   ? 32.073 7.671   -17.713 1   44.082 ? 21  GLN   B HE22 1 c 
ATOM   2088 N N    . GLY   B 1 10  ? 31.02  2.094   -21.454 1   23.547 ? 22  GLY   B N    1 ? 
ATOM   2089 C CA   . GLY   B 1 10  ? 30.104 1.323   -22.282 1   20.887 ? 22  GLY   B CA   1 ? 
ATOM   2090 C C    . GLY   B 1 10  ? 30.132 -0.171  -21.965 1   20.708 ? 22  GLY   B C    1 ? 
ATOM   2091 O O    . GLY   B 1 10  ? 31.161 -0.733  -21.627 1   23.117 ? 22  GLY   B O    1 ? 
ATOM   2092 H H    . GLY   B 1 10  ? 31.747 2.485   -21.846 1   23.482 ? 22  GLY   B H    1 c 
ATOM   2093 H HA2  . GLY   B 1 10  ? 29.191 1.668   -22.149 1   21.237 ? 22  GLY   B HA2  1 c 
ATOM   2094 H HA3  . GLY   B 1 10  ? 30.34  1.458   -23.23  1   21.172 ? 22  GLY   B HA3  1 c 
ATOM   2095 N N    . GLU   B 1 11  ? 28.97  -0.814  -22.095 1   18.01  ? 23  GLU   B N    1 ? 
ATOM   2096 C CA   . GLU   B 1 11  ? 28.882 -2.26   -21.992 1   18.381 ? 23  GLU   B CA   1 ? 
ATOM   2097 C C    . GLU   B 1 11  ? 29.292 -2.89   -23.318 1   16.832 ? 23  GLU   B C    1 ? 
ATOM   2098 O O    . GLU   B 1 11  ? 28.884 -2.432  -24.395 1   15.941 ? 23  GLU   B O    1 ? 
ATOM   2099 C CB   . GLU   B 1 11  ? 27.441 -2.543  -21.609 1   21.762 ? 23  GLU   B CB   1 ? 
ATOM   2100 C CG   . GLU   B 1 11  ? 27.075 -4.007  -21.466 1   28.221 ? 23  GLU   B CG   1 ? 
ATOM   2101 C CD   . GLU   B 1 11  ? 25.563 -4.133  -21.219 1   37.419 ? 23  GLU   B CD   1 ? 
ATOM   2102 O OE1  . GLU   B 1 11  ? 25.001 -3.174  -20.625 1   46.979 ? 23  GLU   B OE1  1 ? 
ATOM   2103 O OE2  . GLU   B 1 11  ? 24.925 -5.155  -21.604 1   51.818 ? 23  GLU   B OE2  1 ? 
ATOM   2104 H H    . GLU   B 1 11  ? 28.208 -0.335  -22.256 1   18.597 ? 23  GLU   B H    1 c 
ATOM   2105 H HA   . GLU   B 1 11  ? 29.489 -2.57   -21.272 1   18.344 ? 23  GLU   B HA   1 c 
ATOM   2106 H HB2  . GLU   B 1 11  ? 27.254 -2.092  -20.759 1   21.679 ? 23  GLU   B HB2  1 c 
ATOM   2107 H HB3  . GLU   B 1 11  ? 26.855 -2.148  -22.288 1   21.763 ? 23  GLU   B HB3  1 c 
ATOM   2108 H HG2  . GLU   B 1 11  ? 27.313 -4.495  -22.282 1   27.616 ? 23  GLU   B HG2  1 c 
ATOM   2109 H HG3  . GLU   B 1 11  ? 27.561 -4.4    -20.71  1   27.314 ? 23  GLU   B HG3  1 c 
ATOM   2110 N N    . ASP   B 1 12  ? 30.087 -3.956  -23.23  1   15.863 ? 24  ASP   B N    1 ? 
ATOM   2111 C CA   . ASP   B 1 12  ? 30.451 -4.742  -24.41  1   16.276 ? 24  ASP   B CA   1 ? 
ATOM   2112 C C    . ASP   B 1 12  ? 29.323 -5.712  -24.738 1   14.766 ? 24  ASP   B C    1 ? 
ATOM   2113 O O    . ASP   B 1 12  ? 29.108 -6.68   -24.025 1   16.046 ? 24  ASP   B O    1 ? 
ATOM   2114 C CB   . ASP   B 1 12  ? 31.763 -5.471  -24.182 1   16.843 ? 24  ASP   B CB   1 ? 
ATOM   2115 C CG   . ASP   B 1 12  ? 32.275 -6.296  -25.348 1   17.1   ? 24  ASP   B CG   1 ? 
ATOM   2116 O OD1  . ASP   B 1 12  ? 31.559 -6.338  -26.41  1   18.307 ? 24  ASP   B OD1  1 ? 
ATOM   2117 O OD2  . ASP   B 1 12  ? 33.361 -6.884  -25.173 1   16.626 ? 24  ASP   B OD2  1 ? 
ATOM   2118 H H    . ASP   B 1 12  ? 30.414 -4.208  -22.414 1   16.107 ? 24  ASP   B H    1 c 
ATOM   2119 H HA   . ASP   B 1 12  ? 30.574 -4.128  -25.168 1   16.09  ? 24  ASP   B HA   1 c 
ATOM   2120 H HB2  . ASP   B 1 12  ? 32.45  -4.81   -23.955 1   16.752 ? 24  ASP   B HB2  1 c 
ATOM   2121 H HB3  . ASP   B 1 12  ? 31.657 -6.069  -23.413 1   16.771 ? 24  ASP   B HB3  1 c 
ATOM   2122 N N    . ILE   B 1 13  ? 28.622 -5.46   -25.833 1   15.359 ? 25  ILE   B N    1 ? 
ATOM   2123 C CA   . ILE   B 1 13  ? 27.449 -6.239  -26.204 1   15.111 ? 25  ILE   B CA   1 ? 
ATOM   2124 C C    . ILE   B 1 13  ? 27.766 -7.267  -27.291 1   15.959 ? 25  ILE   B C    1 ? 
ATOM   2125 O O    . ILE   B 1 13  ? 26.839 -7.883  -27.799 1   18.833 ? 25  ILE   B O    1 ? 
ATOM   2126 C CB   . ILE   B 1 13  ? 26.265 -5.341  -26.587 1   15.765 ? 25  ILE   B CB   1 ? 
ATOM   2127 C CG1  . ILE   B 1 13  ? 26.579 -4.508  -27.833 1   15.656 ? 25  ILE   B CG1  1 ? 
ATOM   2128 C CG2  . ILE   B 1 13  ? 25.819 -4.509  -25.383 1   17.203 ? 25  ILE   B CG2  1 ? 
ATOM   2129 C CD1  . ILE   B 1 13  ? 25.351 -3.802  -28.399 1   16.621 ? 25  ILE   B CD1  1 ? 
ATOM   2130 H H    . ILE   B 1 13  ? 28.887 -4.78   -26.382 1   15.229 ? 25  ILE   B H    1 c 
ATOM   2131 H HA   . ILE   B 1 13  ? 27.175 -6.739  -25.411 1   15.294 ? 25  ILE   B HA   1 c 
ATOM   2132 H HB   . ILE   B 1 13  ? 25.521 -5.931  -26.819 1   15.783 ? 25  ILE   B HB   1 c 
ATOM   2133 H HG12 . ILE   B 1 13  ? 27.254 -3.837  -27.605 1   15.939 ? 25  ILE   B HG12 1 c 
ATOM   2134 H HG13 . ILE   B 1 13  ? 26.954 -5.092  -28.523 1   15.907 ? 25  ILE   B HG13 1 c 
ATOM   2135 H HG21 . ILE   B 1 13  ? 25.053 -3.963  -25.627 1   16.935 ? 25  ILE   B HG21 1 c 
ATOM   2136 H HG22 . ILE   B 1 13  ? 26.547 -3.931  -25.097 1   16.929 ? 25  ILE   B HG22 1 c 
ATOM   2137 H HG23 . ILE   B 1 13  ? 25.572 -5.1    -24.652 1   16.94  ? 25  ILE   B HG23 1 c 
ATOM   2138 H HD11 . ILE   B 1 13  ? 24.67  -4.463  -28.627 1   16.409 ? 25  ILE   B HD11 1 c 
ATOM   2139 H HD12 . ILE   B 1 13  ? 25.602 -3.307  -29.202 1   16.481 ? 25  ILE   B HD12 1 c 
ATOM   2140 H HD13 . ILE   B 1 13  ? 24.991 -3.182  -27.737 1   16.454 ? 25  ILE   B HD13 1 c 
ATOM   2141 N N    . THR   B 1 14  ? 29.052 -7.491  -27.608 1   16.003 ? 26  THR   B N    1 ? 
ATOM   2142 C CA   . THR   B 1 14  ? 29.44  -8.504  -28.581 1   15.377 ? 26  THR   B CA   1 ? 
ATOM   2143 C C    . THR   B 1 14  ? 29.387 -9.891  -27.93  1   15.73  ? 26  THR   B C    1 ? 
ATOM   2144 O O    . THR   B 1 14  ? 29.653 -10.023 -26.725 1   16.994 ? 26  THR   B O    1 ? 
ATOM   2145 C CB   . THR   B 1 14  ? 30.839 -8.255  -29.158 1   15.782 ? 26  THR   B CB   1 ? 
ATOM   2146 O OG1  . THR   B 1 14  ? 31.852 -8.373  -28.166 1   16.963 ? 26  THR   B OG1  1 ? 
ATOM   2147 C CG2  . THR   B 1 14  ? 30.928 -6.93   -29.889 1   15.203 ? 26  THR   B CG2  1 ? 
ATOM   2148 H H    . THR   B 1 14  ? 29.708 -6.997  -27.206 1   16.019 ? 26  THR   B H    1 c 
ATOM   2149 H HA   . THR   B 1 14  ? 28.794 -8.479  -29.319 1   15.663 ? 26  THR   B HA   1 c 
ATOM   2150 H HB   . THR   B 1 14  ? 31.001 -8.955  -29.835 1   15.806 ? 26  THR   B HB   1 c 
ATOM   2151 H HG1  . THR   B 1 14  ? 31.703 -7.796  -27.54  0   17.39  ? 26  THR   B HG1  1 c 
ATOM   2152 H HG21 . THR   B 1 14  ? 31.828 -6.81   -30.236 1   15.352 ? 26  THR   B HG21 1 c 
ATOM   2153 H HG22 . THR   B 1 14  ? 30.72  -6.207  -29.275 1   15.36  ? 26  THR   B HG22 1 c 
ATOM   2154 H HG23 . THR   B 1 14  ? 30.294 -6.922  -30.625 1   15.336 ? 26  THR   B HG23 1 c 
ATOM   2155 N N    . SER   B 1 15  ? 29.138 -10.933 -28.749 1   16.022 ? 27  SER   B N    1 ? 
ATOM   2156 C CA   . SER   B 1 15  ? 29.201 -12.308 -28.274 1   17.483 ? 27  SER   B CA   1 ? 
ATOM   2157 C C    . SER   B 1 15  ? 30.638 -12.7   -27.946 1   17.268 ? 27  SER   B C    1 ? 
ATOM   2158 O O    . SER   B 1 15  ? 30.866 -13.436 -26.988 1   21.151 ? 27  SER   B O    1 ? 
ATOM   2159 C CB   . SER   B 1 15  ? 28.595 -13.282 -29.243 1   20.88  ? 27  SER   B CB   1 ? 
ATOM   2160 O OG   . SER   B 1 15  ? 27.231 -12.917 -29.449 1   26.898 ? 27  SER   B OG   1 ? 
ATOM   2161 H H    . SER   B 1 15  ? 28.925 -10.777 -29.624 1   16.354 ? 27  SER   B H    1 c 
ATOM   2162 H HA   . SER   B 1 15  ? 28.679 -12.356 -27.433 1   17.649 ? 27  SER   B HA   1 c 
ATOM   2163 H HB2  . SER   B 1 15  ? 29.08  -13.252 -30.09  1   21.153 ? 27  SER   B HB2  1 c 
ATOM   2164 H HB3  . SER   B 1 15  ? 28.648 -14.187 -28.88  1   20.931 ? 27  SER   B HB3  1 c 
ATOM   2165 H HG   . SER   B 1 15  ? 26.874 -13.464 -29.982 0   27.23  ? 27  SER   B HG   1 c 
ATOM   2166 N N    . LYS   B 1 16  ? 31.599 -12.24  -28.77  1   18.99  ? 28  LYS   B N    1 ? 
ATOM   2167 C CA   . LYS   B 1 16  ? 32.992 -12.607 -28.59  1   19.095 ? 28  LYS   B CA   1 ? 
ATOM   2168 C C    . LYS   B 1 16  ? 33.63  -11.845 -27.412 1   19.139 ? 28  LYS   B C    1 ? 
ATOM   2169 O O    . LYS   B 1 16  ? 34.728 -12.188 -26.966 1   18.242 ? 28  LYS   B O    1 ? 
ATOM   2170 C CB   . LYS   B 1 16  ? 33.762 -12.353 -29.888 1   20.426 ? 28  LYS   B CB   1 ? 
ATOM   2171 C CG   . LYS   B 1 16  ? 33.526 -13.376 -31.025 1   24.054 ? 28  LYS   B CG   1 ? 
ATOM   2172 C CD   . LYS   B 1 16  ? 34.206 -13.016 -32.361 1   27.096 ? 28  LYS   B CD   1 ? 
ATOM   2173 H H    . LYS   B 1 16  ? 31.374 -11.688 -29.463 1   18.593 ? 28  LYS   B H    1 c 
ATOM   2174 H HA   . LYS   B 1 16  ? 33.032 -13.577 -28.391 1   19.273 ? 28  LYS   B HA   1 c 
ATOM   2175 H HB2  . LYS   B 1 16  ? 33.523 -11.461 -30.222 1   20.773 ? 28  LYS   B HB2  1 c 
ATOM   2176 H HB3  . LYS   B 1 16  ? 34.721 -12.342 -29.682 1   20.634 ? 28  LYS   B HB3  1 c 
ATOM   2177 H HG2  . LYS   B 1 16  ? 33.856 -14.252 -30.727 1   23.679 ? 28  LYS   B HG2  1 c 
ATOM   2178 H HG3  . LYS   B 1 16  ? 32.558 -13.457 -31.173 1   23.799 ? 28  LYS   B HG3  1 c 
ATOM   2179 H HD2  . LYS   B 1 16  ? 35.161 -13.034 -32.261 0   27.47  ? 28  LYS   B HD2  1 c 
ATOM   2180 H HD3  . LYS   B 1 16  ? 33.483 -12.825 -33.03  0   27.47  ? 28  LYS   B HD3  1 c 
ATOM   2181 N N    . LYS   B 1 17  ? 32.96  -10.796 -26.906 1   17.05  ? 29  LYS   B N    1 ? 
ATOM   2182 C CA   . LYS   B 1 17  ? 33.462 -9.928  -25.839 1   17.58  ? 29  LYS   B CA   1 ? 
ATOM   2183 C C    . LYS   B 1 17  ? 34.837 -9.37   -26.207 1   16.124 ? 29  LYS   B C    1 ? 
ATOM   2184 O O    . LYS   B 1 17  ? 35.826 -9.44   -25.437 1   18.081 ? 29  LYS   B O    1 ? 
ATOM   2185 C CB   . LYS   B 1 17  ? 33.405 -10.627 -24.46  1   19.913 ? 29  LYS   B CB   1 ? 
ATOM   2186 C CG   . LYS   B 1 17  ? 32.039 -11.018 -23.938 1   24.274 ? 29  LYS   B CG   1 ? 
ATOM   2187 C CD   . LYS   B 1 17  ? 31.169 -9.853  -23.519 1   27.986 ? 29  LYS   B CD   1 ? 
ATOM   2188 H H    . LYS   B 1 17  ? 32.138 -10.602 -27.254 1   17.317 ? 29  LYS   B H    1 c 
ATOM   2189 H HA   . LYS   B 1 17  ? 32.844 -9.158  -25.784 1   17.672 ? 29  LYS   B HA   1 c 
ATOM   2190 H HB2  . LYS   B 1 17  ? 33.954 -11.439 -24.507 1   20.206 ? 29  LYS   B HB2  1 c 
ATOM   2191 H HB3  . LYS   B 1 17  ? 33.822 -10.033 -23.8   1   20.048 ? 29  LYS   B HB3  1 c 
ATOM   2192 H HG2  . LYS   B 1 17  ? 31.573 -11.527 -24.637 1   23.786 ? 29  LYS   B HG2  1 c 
ATOM   2193 H HG3  . LYS   B 1 17  ? 32.161 -11.616 -23.168 1   24.093 ? 29  LYS   B HG3  1 c 
ATOM   2194 H HD2  . LYS   B 1 17  ? 31.725 -9.105  -23.255 0   28.45  ? 29  LYS   B HD2  1 c 
ATOM   2195 H HD3  . LYS   B 1 17  ? 30.219 -10.129 -23.618 0   28.45  ? 29  LYS   B HD3  1 c 
ATOM   2196 N N    . ASP   B 1 18  ? 34.874 -8.803  -27.412 1   15.208 ? 30  ASP   B N    1 ? 
ATOM   2197 C CA   . ASP   B 1 18  ? 36.073 -8.224  -27.991 1   15.402 ? 30  ASP   B CA   1 ? 
ATOM   2198 C C    . ASP   B 1 18  ? 36.02  -6.695  -27.99  1   14.879 ? 30  ASP   B C    1 ? 
ATOM   2199 O O    . ASP   B 1 18  ? 36.792 -6.041  -28.647 1   17.551 ? 30  ASP   B O    1 ? 
ATOM   2200 C CB   . ASP   B 1 18  ? 36.285 -8.773  -29.394 1   17.326 ? 30  ASP   B CB   1 ? 
ATOM   2201 C CG   . ASP   B 1 18  ? 35.192 -8.481  -30.408 1   17.928 ? 30  ASP   B CG   1 ? 
ATOM   2202 O OD1  . ASP   B 1 18  ? 34.333 -7.609  -30.115 1   16.565 ? 30  ASP   B OD1  1 ? 
ATOM   2203 O OD2  . ASP   B 1 18  ? 35.199 -9.152  -31.474 1   20.484 ? 30  ASP   B OD2  1 ? 
ATOM   2204 H H    . ASP   B 1 18  ? 34.102 -8.769  -27.899 1   15.471 ? 30  ASP   B H    1 c 
ATOM   2205 H HA   . ASP   B 1 18  ? 36.843 -8.504  -27.449 1   15.714 ? 30  ASP   B HA   1 c 
ATOM   2206 H HB2  . ASP   B 1 18  ? 37.126 -8.414  -29.746 1   17.258 ? 30  ASP   B HB2  1 c 
ATOM   2207 H HB3  . ASP   B 1 18  ? 36.381 -9.745  -29.328 1   17.29  ? 30  ASP   B HB3  1 c 
ATOM   2208 N N    . ARG   B 1 19  ? 35.044 -6.111  -27.294 1   14.282 ? 31  ARG   B N    1 ? 
ATOM   2209 C CA   . ARG   B 1 19  ? 34.883 -4.668  -27.163 1   16.07  ? 31  ARG   B CA   1 ? 
ATOM   2210 C C    . ARG   B 1 19  ? 34.608 -4.02   -28.524 1   15.791 ? 31  ARG   B C    1 ? 
ATOM   2211 O O    . ARG   B 1 19  ? 34.719 -2.811  -28.641 1   15.754 ? 31  ARG   B O    1 ? 
ATOM   2212 C CB   . ARG   B 1 19  ? 36.061 -4.053  -26.391 1   17.123 ? 31  ARG   B CB   1 ? 
ATOM   2213 C CG   . ARG   B 1 19  ? 35.981 -4.404  -24.905 1   18.575 ? 31  ARG   B CG   1 ? 
ATOM   2214 C CD   . ARG   B 1 19  ? 37.169 -3.817  -24.143 1   20.501 ? 31  ARG   B CD   1 ? 
ATOM   2215 N NE   . ARG   B 1 19  ? 37.215 -2.349  -24.266 1   21.345 ? 31  ARG   B NE   1 ? 
ATOM   2216 C CZ   . ARG   B 1 19  ? 36.511 -1.472  -23.575 1   20.923 ? 31  ARG   B CZ   1 ? 
ATOM   2217 N NH1  . ARG   B 1 19  ? 35.572 -1.9    -22.756 1   23.295 ? 31  ARG   B NH1  1 ? 
ATOM   2218 N NH2  . ARG   B 1 19  ? 36.754 -0.169  -23.682 1   22.357 ? 31  ARG   B NH2  1 ? 
ATOM   2219 H H    . ARG   B 1 19  ? 34.437 -6.646  -26.871 1   14.721 ? 31  ARG   B H    1 c 
ATOM   2220 H HA   . ARG   B 1 19  ? 34.079 -4.516  -26.605 1   15.974 ? 31  ARG   B HA   1 c 
ATOM   2221 H HB2  . ARG   B 1 19  ? 36.908 -4.386  -26.758 1   17.183 ? 31  ARG   B HB2  1 c 
ATOM   2222 H HB3  . ARG   B 1 19  ? 36.046 -3.078  -26.496 1   17.194 ? 31  ARG   B HB3  1 c 
ATOM   2223 H HG2  . ARG   B 1 19  ? 35.147 -4.048  -24.529 1   18.776 ? 31  ARG   B HG2  1 c 
ATOM   2224 H HG3  . ARG   B 1 19  ? 35.978 -5.38   -24.798 1   18.611 ? 31  ARG   B HG3  1 c 
ATOM   2225 H HD2  . ARG   B 1 19  ? 37.107 -4.063  -23.198 1   20.397 ? 31  ARG   B HD2  1 c 
ATOM   2226 H HD3  . ARG   B 1 19  ? 37.998 -4.196  -24.499 1   20.246 ? 31  ARG   B HD3  1 c 
ATOM   2227 H HE   . ARG   B 1 19  ? 37.763 -2.023  -24.859 1   21.288 ? 31  ARG   B HE   1 c 
ATOM   2228 H HH11 . ARG   B 1 19  ? 35.416 -2.762  -22.656 1   22.478 ? 31  ARG   B HH11 1 c 
ATOM   2229 H HH12 . ARG   B 1 19  ? 35.092 -1.314  -22.3   1   22.635 ? 31  ARG   B HH12 1 c 
ATOM   2230 H HH21 . ARG   B 1 19  ? 37.393 0.118   -24.221 1   22.042 ? 31  ARG   B HH21 1 c 
ATOM   2231 H HH22 . ARG   B 1 19  ? 36.276 0.409   -23.214 1   22.055 ? 31  ARG   B HH22 1 c 
ATOM   2232 N N    . GLY   B 1 20  ? 34.131 -4.808  -29.511 1   16.21  ? 32  GLY   B N    1 ? 
ATOM   2233 C CA   . GLY   B 1 20  ? 33.914 -4.313  -30.867 1   17.52  ? 32  GLY   B CA   1 ? 
ATOM   2234 C C    . GLY   B 1 20  ? 32.675 -3.412  -30.981 1   15.797 ? 32  GLY   B C    1 ? 
ATOM   2235 O O    . GLY   B 1 20  ? 32.577 -2.611  -31.911 1   16.006 ? 32  GLY   B O    1 ? 
ATOM   2236 H H    . GLY   B 1 20  ? 33.92  -5.678  -29.327 1   16.306 ? 32  GLY   B H    1 c 
ATOM   2237 H HA2  . GLY   B 1 20  ? 34.711 -3.807  -31.153 1   17.175 ? 32  GLY   B HA2  1 c 
ATOM   2238 H HA3  . GLY   B 1 20  ? 33.814 -5.081  -31.472 1   16.974 ? 32  GLY   B HA3  1 c 
ATOM   2239 N N    . VAL   B 1 21  ? 31.702 -3.601  -30.071 1   12.889 ? 33  VAL   B N    1 ? 
ATOM   2240 C CA   . VAL   B 1 21  ? 30.487 -2.802  -30.026 1   13.138 ? 33  VAL   B CA   1 ? 
ATOM   2241 C C    . VAL   B 1 21  ? 30.227 -2.498  -28.558 1   13.164 ? 33  VAL   B C    1 ? 
ATOM   2242 O O    . VAL   B 1 21  ? 29.98  -3.424  -27.771 1   13.996 ? 33  VAL   B O    1 ? 
ATOM   2243 C CB   . VAL   B 1 21  ? 29.265 -3.479  -30.678 1   12.851 ? 33  VAL   B CB   1 ? 
ATOM   2244 C CG1  . VAL   B 1 21  ? 28.008 -2.598  -30.631 1   13.021 ? 33  VAL   B CG1  1 ? 
ATOM   2245 C CG2  . VAL   B 1 21  ? 29.568 -3.966  -32.089 1   14.24  ? 33  VAL   B CG2  1 ? 
ATOM   2246 H H    . VAL   B 1 21  ? 31.807 -4.261  -29.449 1   13.256 ? 33  VAL   B H    1 c 
ATOM   2247 H HA   . VAL   B 1 21  ? 30.655 -1.961  -30.491 1   13.072 ? 33  VAL   B HA   1 c 
ATOM   2248 H HB   . VAL   B 1 21  ? 29.068 -4.281  -30.139 1   13.247 ? 33  VAL   B HB   1 c 
ATOM   2249 H HG11 . VAL   B 1 21  ? 28.183 -1.758  -31.089 1   13.071 ? 33  VAL   B HG11 1 c 
ATOM   2250 H HG12 . VAL   B 1 21  ? 27.769 -2.418  -29.707 1   13.06  ? 33  VAL   B HG12 1 c 
ATOM   2251 H HG13 . VAL   B 1 21  ? 27.273 -3.058  -31.071 1   13.024 ? 33  VAL   B HG13 1 c 
ATOM   2252 H HG21 . VAL   B 1 21  ? 28.771 -4.371  -32.471 1   13.97  ? 33  VAL   B HG21 1 c 
ATOM   2253 H HG22 . VAL   B 1 21  ? 30.282 -4.624  -32.061 1   14.2   ? 33  VAL   B HG22 1 c 
ATOM   2254 H HG23 . VAL   B 1 21  ? 29.844 -3.214  -32.64  1   14.111 ? 33  VAL   B HG23 1 c 
ATOM   2255 N N    . LEU   B 1 22  ? 30.401 -1.234  -28.2   1   13.804 ? 34  LEU   B N    1 ? 
ATOM   2256 C CA   . LEU   B 1 22  ? 30.174 -0.787  -26.824 1   13.493 ? 34  LEU   B CA   1 ? 
ATOM   2257 C C    . LEU   B 1 22  ? 28.947 0.124   -26.797 1   11.674 ? 34  LEU   B C    1 ? 
ATOM   2258 O O    . LEU   B 1 22  ? 28.775 0.983   -27.677 1   12.053 ? 34  LEU   B O    1 ? 
ATOM   2259 C CB   . LEU   B 1 22  ? 31.388 0.005   -26.368 1   13.97  ? 34  LEU   B CB   1 ? 
ATOM   2260 C CG   . LEU   B 1 22  ? 32.729 -0.733  -26.307 1   14.624 ? 34  LEU   B CG   1 ? 
ATOM   2261 C CD1  . LEU   B 1 22  ? 33.906 0.194   -26.003 1   16.789 ? 34  LEU   B CD1  1 ? 
ATOM   2262 C CD2  . LEU   B 1 22  ? 32.681 -1.825  -25.252 1   16.182 ? 34  LEU   B CD2  1 ? 
ATOM   2263 H H    . LEU   B 1 22  ? 30.67  -0.622  -28.823 1   13.739 ? 34  LEU   B H    1 c 
ATOM   2264 H HA   . LEU   B 1 22  ? 30.034 -1.569  -26.237 1   13.426 ? 34  LEU   B HA   1 c 
ATOM   2265 H HB2  . LEU   B 1 22  ? 31.49  0.776   -26.972 1   14.134 ? 34  LEU   B HB2  1 c 
ATOM   2266 H HB3  . LEU   B 1 22  ? 31.195 0.365   -25.471 1   14.126 ? 34  LEU   B HB3  1 c 
ATOM   2267 H HG   . LEU   B 1 22  ? 32.89  -1.159  -27.188 1   15.129 ? 34  LEU   B HG   1 c 
ATOM   2268 H HD11 . LEU   B 1 22  ? 33.972 0.873   -26.695 1   16.513 ? 34  LEU   B HD11 1 c 
ATOM   2269 H HD12 . LEU   B 1 22  ? 34.729 -0.323  -25.978 1   16.56  ? 34  LEU   B HD12 1 c 
ATOM   2270 H HD13 . LEU   B 1 22  ? 33.768 0.623   -25.142 1   16.458 ? 34  LEU   B HD13 1 c 
ATOM   2271 H HD21 . LEU   B 1 22  ? 31.995 -2.472  -25.484 1   15.884 ? 34  LEU   B HD21 1 c 
ATOM   2272 H HD22 . LEU   B 1 22  ? 32.476 -1.432  -24.387 1   15.991 ? 34  LEU   B HD22 1 c 
ATOM   2273 H HD23 . LEU   B 1 22  ? 33.543 -2.271  -25.208 1   16.069 ? 34  LEU   B HD23 1 c 
ATOM   2274 N N    . LYS   B 1 23  ? 28.115 -0.001  -25.725 1   11.937 ? 35  LYS   B N    1 ? 
ATOM   2275 C CA   . LYS   B 1 23  ? 26.845 0.654   -25.666 1   13.674 ? 35  LYS   B CA   1 ? 
ATOM   2276 C C    . LYS   B 1 23  ? 26.664 1.349   -24.326 1   13.567 ? 35  LYS   B C    1 ? 
ATOM   2277 O O    . LYS   B 1 23  ? 26.955 0.773   -23.283 1   14.887 ? 35  LYS   B O    1 ? 
ATOM   2278 C CB   . LYS   B 1 23  ? 25.751 -0.401  -25.796 1   12.983 ? 35  LYS   B CB   1 ? 
ATOM   2279 C CG   . LYS   B 1 23  ? 24.344 0.114   -25.708 1   14.095 ? 35  LYS   B CG   1 ? 
ATOM   2280 C CD   . LYS   B 1 23  ? 23.256 -0.953  -25.769 1   14.048 ? 35  LYS   B CD   1 ? 
ATOM   2281 C CE   . LYS   B 1 23  ? 21.894 -0.327  -25.826 1   14.098 ? 35  LYS   B CE   1 ? 
ATOM   2282 N NZ   . LYS   B 1 23  ? 20.797 -1.224  -25.42  1   14.18  ? 35  LYS   B NZ   1 ? 
ATOM   2283 H H    . LYS   B 1 23  ? 28.375 -0.518  -25.017 1   12.175 ? 35  LYS   B H    1 c 
ATOM   2284 H HA   . LYS   B 1 23  ? 26.781 1.311   -26.401 1   13.321 ? 35  LYS   B HA   1 c 
ATOM   2285 H HB2  . LYS   B 1 23  ? 25.859 -0.857  -26.657 1   13.206 ? 35  LYS   B HB2  1 c 
ATOM   2286 H HB3  . LYS   B 1 23  ? 25.879 -1.069  -25.089 1   13.331 ? 35  LYS   B HB3  1 c 
ATOM   2287 H HG2  . LYS   B 1 23  ? 24.247 0.612   -24.867 1   13.992 ? 35  LYS   B HG2  1 c 
ATOM   2288 H HG3  . LYS   B 1 23  ? 24.203 0.75    -26.443 1   14.019 ? 35  LYS   B HG3  1 c 
ATOM   2289 H HD2  . LYS   B 1 23  ? 23.39  -1.511  -26.565 1   14.105 ? 35  LYS   B HD2  1 c 
ATOM   2290 H HD3  . LYS   B 1 23  ? 23.316 -1.526  -24.974 1   14.016 ? 35  LYS   B HD3  1 c 
ATOM   2291 H HE2  . LYS   B 1 23  ? 21.882 0.457   -25.247 1   14.184 ? 35  LYS   B HE2  1 c 
ATOM   2292 H HE3  . LYS   B 1 23  ? 21.725 -0.025  -26.736 1   14.235 ? 35  LYS   B HE3  1 c 
ATOM   2293 H HZ1  . LYS   B 1 23  ? 20.926 -1.497  -24.565 1   14.082 ? 35  LYS   B HZ1  1 c 
ATOM   2294 H HZ2  . LYS   B 1 23  ? 20.776 -1.947  -25.964 1   14.132 ? 35  LYS   B HZ2  1 c 
ATOM   2295 H HZ3  . LYS   B 1 23  ? 20.007 -0.785  -25.476 1   14.323 ? 35  LYS   B HZ3  1 c 
ATOM   2296 N N    . ILE   B 1 24  ? 26.115 2.562   -24.39  1   15.258 ? 36  ILE   B N    1 ? 
ATOM   2297 C CA   . ILE   B 1 24  ? 25.543 3.218   -23.216 1   15.905 ? 36  ILE   B CA   1 ? 
ATOM   2298 C C    . ILE   B 1 24  ? 24.073 3.523   -23.483 1   14.551 ? 36  ILE   B C    1 ? 
ATOM   2299 O O    . ILE   B 1 24  ? 23.731 4.126   -24.49  1   16.108 ? 36  ILE   B O    1 ? 
ATOM   2300 C CB   . ILE   B 1 24  ? 26.276 4.515   -22.847 1   18.188 ? 36  ILE   B CB   1 ? 
ATOM   2301 C CG1  . ILE   B 1 24  ? 27.716 4.216   -22.437 1   21.161 ? 36  ILE   B CG1  1 ? 
ATOM   2302 C CG2  . ILE   B 1 24  ? 25.513 5.289   -21.751 1   21.277 ? 36  ILE   B CG2  1 ? 
ATOM   2303 C CD1  . ILE   B 1 24  ? 28.506 5.442   -21.982 1   24.456 ? 36  ILE   B CD1  1 ? 
ATOM   2304 H H    . ILE   B 1 24  ? 26.095 3.003   -25.19  1   14.8   ? 36  ILE   B H    1 c 
ATOM   2305 H HA   . ILE   B 1 24  ? 25.602 2.605   -22.459 1   16.033 ? 36  ILE   B HA   1 c 
ATOM   2306 H HB   . ILE   B 1 24  ? 26.305 5.078   -23.646 1   18.461 ? 36  ILE   B HB   1 c 
ATOM   2307 H HG12 . ILE   B 1 24  ? 27.706 3.562   -21.709 1   21.047 ? 36  ILE   B HG12 1 c 
ATOM   2308 H HG13 . ILE   B 1 24  ? 28.18  3.809   -23.197 1   21.105 ? 36  ILE   B HG13 1 c 
ATOM   2309 H HG21 . ILE   B 1 24  ? 25.983 6.113   -21.543 1   20.647 ? 36  ILE   B HG21 1 c 
ATOM   2310 H HG22 . ILE   B 1 24  ? 25.45  4.743   -20.95  1   20.7   ? 36  ILE   B HG22 1 c 
ATOM   2311 H HG23 . ILE   B 1 24  ? 24.619 5.504   -22.064 1   20.494 ? 36  ILE   B HG23 1 c 
ATOM   2312 H HD11 . ILE   B 1 24  ? 28.52  6.108   -22.696 1   23.879 ? 36  ILE   B HD11 1 c 
ATOM   2313 H HD12 . ILE   B 1 24  ? 29.42  5.175   -21.772 1   23.688 ? 36  ILE   B HD12 1 c 
ATOM   2314 H HD13 . ILE   B 1 24  ? 28.094 5.828   -21.187 1   23.834 ? 36  ILE   B HD13 1 c 
ATOM   2315 N N    . VAL   B 1 25  ? 23.213 3.229   -22.511 1   15.184 ? 37  VAL   B N    1 ? 
ATOM   2316 C CA   . VAL   B 1 25  ? 21.834 3.657   -22.565 1   16.214 ? 37  VAL   B CA   1 ? 
ATOM   2317 C C    . VAL   B 1 25  ? 21.739 5.093   -22.045 1   16.626 ? 37  VAL   B C    1 ? 
ATOM   2318 O O    . VAL   B 1 25  ? 22.025 5.344   -20.88  1   19.241 ? 37  VAL   B O    1 ? 
ATOM   2319 C CB   . VAL   B 1 25  ? 20.909 2.708   -21.787 1   16.651 ? 37  VAL   B CB   1 ? 
ATOM   2320 C CG1  . VAL   B 1 25  ? 19.471 3.259   -21.743 1   17.91  ? 37  VAL   B CG1  1 ? 
ATOM   2321 C CG2  . VAL   B 1 25  ? 20.94  1.299   -22.372 1   16.404 ? 37  VAL   B CG2  1 ? 
ATOM   2322 H H    . VAL   B 1 25  ? 23.496 2.744   -21.79  1   15.256 ? 37  VAL   B H    1 c 
ATOM   2323 H HA   . VAL   B 1 25  ? 21.552 3.651   -23.5   1   16.218 ? 37  VAL   B HA   1 c 
ATOM   2324 H HB   . VAL   B 1 25  ? 21.247 2.662   -20.862 1   16.794 ? 37  VAL   B HB   1 c 
ATOM   2325 H HG11 . VAL   B 1 25  ? 19.146 3.39    -22.65  1   17.749 ? 37  VAL   B HG11 1 c 
ATOM   2326 H HG12 . VAL   B 1 25  ? 19.459 4.108   -21.27  1   17.664 ? 37  VAL   B HG12 1 c 
ATOM   2327 H HG13 . VAL   B 1 25  ? 18.895 2.626   -21.283 1   17.699 ? 37  VAL   B HG13 1 c 
ATOM   2328 H HG21 . VAL   B 1 25  ? 20.339 0.725   -21.868 1   16.3   ? 37  VAL   B HG21 1 c 
ATOM   2329 H HG22 . VAL   B 1 25  ? 21.843 0.945   -22.32  1   16.537 ? 37  VAL   B HG22 1 c 
ATOM   2330 H HG23 . VAL   B 1 25  ? 20.656 1.327   -23.301 1   16.469 ? 37  VAL   B HG23 1 c 
ATOM   2331 N N    . LYS   B 1 26  ? 21.331 6.02    -22.922 1   17.92  ? 38  LYS   B N    1 ? 
ATOM   2332 C CA   . LYS   B 1 26  ? 21.212 7.438   -22.57  1   19.506 ? 38  LYS   B CA   1 ? 
ATOM   2333 C C    . LYS   B 1 26  ? 19.793 7.818   -22.123 1   20.047 ? 38  LYS   B C    1 ? 
ATOM   2334 O O    . LYS   B 1 26  ? 19.614 8.748   -21.326 1   22.723 ? 38  LYS   B O    1 ? 
ATOM   2335 C CB   . LYS   B 1 26  ? 21.642 8.306   -23.745 1   20.417 ? 38  LYS   B CB   1 ? 
ATOM   2336 C CG   . LYS   B 1 26  ? 23.092 8.174   -24.18  1   20.867 ? 38  LYS   B CG   1 ? 
ATOM   2337 C CD   . LYS   B 1 26  ? 24.181 8.327   -23.137 1   22.616 ? 38  LYS   B CD   1 ? 
ATOM   2338 C CE   . LYS   B 1 26  ? 24.26  9.656   -22.582 1   22.622 ? 38  LYS   B CE   1 ? 
ATOM   2339 N NZ   . LYS   B 1 26  ? 25.322 9.905   -21.591 1   22.698 ? 38  LYS   B NZ   1 ? 
ATOM   2340 H H    . LYS   B 1 26  ? 21.121 5.764   -23.774 1   17.827 ? 38  LYS   B H    1 c 
ATOM   2341 H HA   . LYS   B 1 26  ? 21.827 7.62    -21.816 1   19.501 ? 38  LYS   B HA   1 c 
ATOM   2342 H HB2  . LYS   B 1 26  ? 21.071 8.091   -24.513 1   20.41  ? 38  LYS   B HB2  1 c 
ATOM   2343 H HB3  . LYS   B 1 26  ? 21.478 9.245   -23.511 1   20.223 ? 38  LYS   B HB3  1 c 
ATOM   2344 H HG2  . LYS   B 1 26  ? 23.195 7.292   -24.599 1   21.08  ? 38  LYS   B HG2  1 c 
ATOM   2345 H HG3  . LYS   B 1 26  ? 23.251 8.84    -24.884 1   21.135 ? 38  LYS   B HG3  1 c 
ATOM   2346 H HD2  . LYS   B 1 26  ? 24.02  7.688   -22.411 1   22.284 ? 38  LYS   B HD2  1 c 
ATOM   2347 H HD3  . LYS   B 1 26  ? 25.045 8.102   -23.547 1   22.359 ? 38  LYS   B HD3  1 c 
ATOM   2348 H HE2  . LYS   B 1 26  ? 24.382 10.284  -23.316 1   22.902 ? 38  LYS   B HE2  1 c 
ATOM   2349 H HE3  . LYS   B 1 26  ? 23.406 9.864   -22.164 1   22.779 ? 38  LYS   B HE3  1 c 
ATOM   2350 H HZ1  . LYS   B 1 26  ? 26.132 9.742   -21.964 1   22.746 ? 38  LYS   B HZ1  1 c 
ATOM   2351 H HZ2  . LYS   B 1 26  ? 25.208 9.359   -20.877 1   22.501 ? 38  LYS   B HZ2  1 c 
ATOM   2352 H HZ3  . LYS   B 1 26  ? 25.288 10.767  -21.316 1   22.824 ? 38  LYS   B HZ3  1 c 
ATOM   2353 N N    . ARG   B 1 27  ? 18.789 7.093   -22.624 1   17.894 ? 39  ARG   B N    1 ? 
ATOM   2354 C CA   . ARG   B 1 27  ? 17.42  7.225   -22.165 1   20.48  ? 39  ARG   B CA   1 ? 
ATOM   2355 C C    . ARG   B 1 27  ? 16.794 5.836   -22.152 1   20.36  ? 39  ARG   B C    1 ? 
ATOM   2356 O O    . ARG   B 1 27  ? 16.803 5.154   -23.169 1   18.197 ? 39  ARG   B O    1 ? 
ATOM   2357 C CB   . ARG   B 1 27  ? 16.596 8.208   -23.004 1   21.214 ? 39  ARG   B CB   1 ? 
ATOM   2358 C CG   . ARG   B 1 27  ? 15.148 8.308   -22.534 1   22.736 ? 39  ARG   B CG   1 ? 
ATOM   2359 C CD   . ARG   B 1 27  ? 14.283 9.278   -23.335 1   25.933 ? 39  ARG   B CD   1 ? 
ATOM   2360 N NE   . ARG   B 1 27  ? 13.851 8.663   -24.59  1   26.091 ? 39  ARG   B NE   1 ? 
ATOM   2361 C CZ   . ARG   B 1 27  ? 13.447 9.308   -25.683 1   28.411 ? 39  ARG   B CZ   1 ? 
ATOM   2362 N NH1  . ARG   B 1 27  ? 13.537 10.633  -25.732 1   30.425 ? 39  ARG   B NH1  1 ? 
ATOM   2363 N NH2  . ARG   B 1 27  ? 12.962 8.625   -26.718 1   29.091 ? 39  ARG   B NH2  1 ? 
ATOM   2364 H H    . ARG   B 1 27  ? 18.967 6.493   -23.291 1   18.709 ? 39  ARG   B H    1 c 
ATOM   2365 H HA   . ARG   B 1 27  ? 17.441 7.563   -21.234 1   20.156 ? 39  ARG   B HA   1 c 
ATOM   2366 H HB2  . ARG   B 1 27  ? 17.01  9.096   -22.957 1   21.349 ? 39  ARG   B HB2  1 c 
ATOM   2367 H HB3  . ARG   B 1 27  ? 16.608 7.918   -23.941 1   21.061 ? 39  ARG   B HB3  1 c 
ATOM   2368 H HG2  . ARG   B 1 27  ? 14.738 7.417   -22.575 1   22.838 ? 39  ARG   B HG2  1 c 
ATOM   2369 H HG3  . ARG   B 1 27  ? 15.142 8.588   -21.593 1   22.757 ? 39  ARG   B HG3  1 c 
ATOM   2370 H HD2  . ARG   B 1 27  ? 13.497 9.532   -22.809 1   25.17  ? 39  ARG   B HD2  1 c 
ATOM   2371 H HD3  . ARG   B 1 27  ? 14.8   10.087  -23.526 1   25.375 ? 39  ARG   B HD3  1 c 
ATOM   2372 H HE   . ARG   B 1 27  ? 13.856 7.793   -24.63  1   26.468 ? 39  ARG   B HE   1 c 
ATOM   2373 H HH11 . ARG   B 1 27  ? 13.774 11.097  -25.021 1   30.032 ? 39  ARG   B HH11 1 c 
ATOM   2374 H HH12 . ARG   B 1 27  ? 13.353 11.053  -26.488 1   30.11  ? 39  ARG   B HH12 1 c 
ATOM   2375 H HH21 . ARG   B 1 27  ? 12.879 7.748   -26.669 1   28.919 ? 39  ARG   B HH21 1 c 
ATOM   2376 H HH22 . ARG   B 1 27  ? 12.722 9.054   -27.454 1   29.008 ? 39  ARG   B HH22 1 c 
ATOM   2377 N N    . VAL   B 1 28  ? 16.25  5.446   -21.003 1   20.322 ? 40  VAL   B N    1 ? 
ATOM   2378 C CA   . VAL   B 1 28  ? 15.603 4.157   -20.851 1   20.869 ? 40  VAL   B CA   1 ? 
ATOM   2379 C C    . VAL   B 1 28  ? 14.281 4.153   -21.632 1   19.772 ? 40  VAL   B C    1 ? 
ATOM   2380 O O    . VAL   B 1 28  ? 13.576 5.148   -21.683 1   22.498 ? 40  VAL   B O    1 ? 
ATOM   2381 C CB   . VAL   B 1 28  ? 15.424 3.889   -19.344 1   24.619 ? 40  VAL   B CB   1 ? 
ATOM   2382 C CG1  . VAL   B 1 28  ? 14.574 2.658   -19.102 1   26.96  ? 40  VAL   B CG1  1 ? 
ATOM   2383 C CG2  . VAL   B 1 28  ? 16.773 3.726   -18.657 1   26.708 ? 40  VAL   B CG2  1 ? 
ATOM   2384 H H    . VAL   B 1 28  ? 16.278 6.01    -20.284 1   20.33  ? 40  VAL   B H    1 c 
ATOM   2385 H HA   . VAL   B 1 28  ? 16.19  3.47    -21.223 1   21.16  ? 40  VAL   B HA   1 c 
ATOM   2386 H HB   . VAL   B 1 28  ? 14.964 4.669   -18.953 1   24.782 ? 40  VAL   B HB   1 c 
ATOM   2387 H HG11 . VAL   B 1 28  ? 14.978 1.892   -19.542 1   26.822 ? 40  VAL   B HG11 1 c 
ATOM   2388 H HG12 . VAL   B 1 28  ? 13.682 2.802   -19.457 1   26.643 ? 40  VAL   B HG12 1 c 
ATOM   2389 H HG13 . VAL   B 1 28  ? 14.516 2.487   -18.146 1   26.564 ? 40  VAL   B HG13 1 c 
ATOM   2390 H HG21 . VAL   B 1 28  ? 16.636 3.544   -17.712 1   26.434 ? 40  VAL   B HG21 1 c 
ATOM   2391 H HG22 . VAL   B 1 28  ? 17.291 4.542   -18.757 1   26.378 ? 40  VAL   B HG22 1 c 
ATOM   2392 H HG23 . VAL   B 1 28  ? 17.256 2.985   -19.062 1   26.636 ? 40  VAL   B HG23 1 c 
ATOM   2393 N N    . GLY   B 1 29  ? 13.981 3.055   -22.326 1   20.22  ? 41  GLY   B N    1 ? 
ATOM   2394 C CA   . GLY   B 1 29  ? 12.747 2.933   -23.074 1   20.254 ? 41  GLY   B CA   1 ? 
ATOM   2395 C C    . GLY   B 1 29  ? 11.634 2.31    -22.249 1   21.452 ? 41  GLY   B C    1 ? 
ATOM   2396 O O    . GLY   B 1 29  ? 11.737 2.212   -21.03  1   20.896 ? 41  GLY   B O    1 ? 
ATOM   2397 H H    . GLY   B 1 29  ? 14.569 2.356   -22.332 1   20.078 ? 41  GLY   B H    1 c 
ATOM   2398 H HA2  . GLY   B 1 29  ? 12.466 3.825   -23.384 1   20.66  ? 41  GLY   B HA2  1 c 
ATOM   2399 H HA3  . GLY   B 1 29  ? 12.914 2.376   -23.871 1   20.229 ? 41  GLY   B HA3  1 c 
ATOM   2400 N N    . ASN   B 1 30  ? 10.584 1.883   -22.956 1   21.525 ? 42  ASN   B N    1 ? 
ATOM   2401 C CA   . ASN   B 1 30  ? 9.323  1.477   -22.347 1   25.676 ? 42  ASN   B CA   1 ? 
ATOM   2402 C C    . ASN   B 1 30  ? 9.195  -0.033  -22.43  1   24.869 ? 42  ASN   B C    1 ? 
ATOM   2403 O O    . ASN   B 1 30  ? 9.669  -0.641  -23.378 1   28.667 ? 42  ASN   B O    1 ? 
ATOM   2404 C CB   . ASN   B 1 30  ? 8.133  2.087   -23.066 1   30.016 ? 42  ASN   B CB   1 ? 
ATOM   2405 C CG   . ASN   B 1 30  ? 8.318  3.573   -23.237 1   34.375 ? 42  ASN   B CG   1 ? 
ATOM   2406 O OD1  . ASN   B 1 30  ? 8.218  4.082   -24.36  1   39.758 ? 42  ASN   B OD1  1 ? 
ATOM   2407 N ND2  . ASN   B 1 30  ? 8.613  4.284   -22.154 1   38.593 ? 42  ASN   B ND2  1 ? 
ATOM   2408 H H    . ASN   B 1 30  ? 10.656 1.843   -23.866 1   21.932 ? 42  ASN   B H    1 c 
ATOM   2409 H HA   . ASN   B 1 30  ? 9.304  1.765   -21.407 1   25.483 ? 42  ASN   B HA   1 c 
ATOM   2410 H HB2  . ASN   B 1 30  ? 8.032  1.669   -23.944 1   29.76  ? 42  ASN   B HB2  1 c 
ATOM   2411 H HB3  . ASN   B 1 30  ? 7.319  1.918   -22.55  1   29.636 ? 42  ASN   B HB3  1 c 
ATOM   2412 H HD21 . ASN   B 1 30  ? 8.896  5.122   -22.241 1   37.554 ? 42  ASN   B HD21 1 c 
ATOM   2413 H HD22 . ASN   B 1 30  ? 8.525  3.926   -21.347 1   37.324 ? 42  ASN   B HD22 1 c 
ATOM   2414 N N    . GLY   B 1 31  ? 8.581  -0.617  -21.415 1   25.424 ? 43  GLY   B N    1 ? 
ATOM   2415 C CA   . GLY   B 1 31  ? 8.303  -2.041  -21.458 1   27.591 ? 43  GLY   B CA   1 ? 
ATOM   2416 C C    . GLY   B 1 31  ? 9.569  -2.887  -21.36  1   29.076 ? 43  GLY   B C    1 ? 
ATOM   2417 O O    . GLY   B 1 31  ? 10.579 -2.448  -20.805 1   29.51  ? 43  GLY   B O    1 ? 
ATOM   2418 H H    . GLY   B 1 31  ? 8.328  -0.131  -20.683 1   25.541 ? 43  GLY   B H    1 c 
ATOM   2419 H HA2  . GLY   B 1 31  ? 7.7    -2.271  -20.714 1   27.147 ? 43  GLY   B HA2  1 c 
ATOM   2420 H HA3  . GLY   B 1 31  ? 7.835  -2.249  -22.301 1   27.384 ? 43  GLY   B HA3  1 c 
ATOM   2421 N N    . GLU   B 1 32  ? 9.449  -4.125  -21.856 1   25.61  ? 44  GLU   B N    1 ? 
ATOM   2422 C CA   . GLU   B 1 32  ? 10.498 -5.135  -21.771 1   24.892 ? 44  GLU   B CA   1 ? 
ATOM   2423 C C    . GLU   B 1 32  ? 10.896 -5.581  -23.187 1   20.612 ? 44  GLU   B C    1 ? 
ATOM   2424 O O    . GLU   B 1 32  ? 12.03  -5.973  -23.419 1   21.803 ? 44  GLU   B O    1 ? 
ATOM   2425 C CB   . GLU   B 1 32  ? 10.03  -6.357  -20.968 1   26.609 ? 44  GLU   B CB   1 ? 
ATOM   2426 H H    . GLU   B 1 32  ? 8.656  -4.359  -22.245 1   26.168 ? 44  GLU   B H    1 c 
ATOM   2427 H HA   . GLU   B 1 32  ? 11.287 -4.738  -21.326 1   24.596 ? 44  GLU   B HA   1 c 
ATOM   2428 H HB2  . GLU   B 1 32  ? 10.835 -6.838  -20.644 0   26.96  ? 44  GLU   B HB2  1 c 
ATOM   2429 H HB3  . GLU   B 1 32  ? 9.064  -6.373  -20.951 0   26.96  ? 44  GLU   B HB3  1 c 
ATOM   2430 N N    . GLU   B 1 33  ? 9.966  -5.485  -24.142 1   19.036 ? 45  GLU   B N    1 ? 
ATOM   2431 C CA   . GLU   B 1 33  ? 10.135 -6.078  -25.462 1   19.352 ? 45  GLU   B CA   1 ? 
ATOM   2432 C C    . GLU   B 1 33  ? 11.253 -5.373  -26.247 1   16.957 ? 45  GLU   B C    1 ? 
ATOM   2433 O O    . GLU   B 1 33  ? 11.378 -4.14   -26.255 1   15.709 ? 45  GLU   B O    1 ? 
ATOM   2434 C CB   . GLU   B 1 33  ? 8.845  -6.037  -26.285 1   25.109 ? 45  GLU   B CB   1 ? 
ATOM   2435 C CG   . GLU   B 1 33  ? 7.926  -7.248  -26.119 1   31.545 ? 45  GLU   B CG   1 ? 
ATOM   2436 C CD   . GLU   B 1 33  ? 7.158  -7.483  -27.42  1   35.926 ? 45  GLU   B CD   1 ? 
ATOM   2437 O OE1  . GLU   B 1 33  ? 6.455  -6.542  -27.849 1   40.86  ? 45  GLU   B OE1  1 ? 
ATOM   2438 O OE2  . GLU   B 1 33  ? 7.317  -8.548  -28.051 1   36.218 ? 45  GLU   B OE2  1 ? 
ATOM   2439 H H    . GLU   B 1 33  ? 9.193  -5.032  -23.967 1   19.487 ? 45  GLU   B H    1 c 
ATOM   2440 H HA   . GLU   B 1 33  ? 10.393 -7.027  -25.337 1   19.453 ? 45  GLU   B HA   1 c 
ATOM   2441 H HB2  . GLU   B 1 33  ? 8.342  -5.232  -26.04  1   24.719 ? 45  GLU   B HB2  1 c 
ATOM   2442 H HB3  . GLU   B 1 33  ? 9.082  -5.959  -27.233 1   24.562 ? 45  GLU   B HB3  1 c 
ATOM   2443 H HG2  . GLU   B 1 33  ? 8.455  -8.043  -25.906 1   30.671 ? 45  GLU   B HG2  1 c 
ATOM   2444 H HG3  . GLU   B 1 33  ? 7.29   -7.087  -25.389 1   30.97  ? 45  GLU   B HG3  1 c 
ATOM   2445 N N    . THR   B 1 34  ? 12.056 -6.196  -26.932 1   15.585 ? 46  THR   B N    1 ? 
ATOM   2446 C CA   . THR   B 1 34  ? 13.065 -5.748  -27.861 1   15.119 ? 46  THR   B CA   1 ? 
ATOM   2447 C C    . THR   B 1 34  ? 12.836 -6.496  -29.177 1   14.517 ? 46  THR   B C    1 ? 
ATOM   2448 O O    . THR   B 1 34  ? 12.199 -7.566  -29.216 1   15.538 ? 46  THR   B O    1 ? 
ATOM   2449 C CB   . THR   B 1 34  ? 14.468 -5.987  -27.291 1   15.285 ? 46  THR   B CB   1 ? 
ATOM   2450 O OG1  . THR   B 1 34  ? 14.689 -7.398  -27.137 1   15.268 ? 46  THR   B OG1  1 ? 
ATOM   2451 C CG2  . THR   B 1 34  ? 14.697 -5.274  -25.966 1   15.172 ? 46  THR   B CG2  1 ? 
ATOM   2452 H H    . THR   B 1 34  ? 11.961 -7.096  -26.808 1   15.65  ? 46  THR   B H    1 c 
ATOM   2453 H HA   . THR   B 1 34  ? 12.945 -4.786  -28.015 1   15.1   ? 46  THR   B HA   1 c 
ATOM   2454 H HB   . THR   B 1 34  ? 15.129 -5.636  -27.933 1   15.276 ? 46  THR   B HB   1 c 
ATOM   2455 H HG1  . THR   B 1 34  ? 14.112 -7.723  -26.595 0   15.69  ? 46  THR   B HG1  1 c 
ATOM   2456 H HG21 . THR   B 1 34  ? 15.607 -5.435  -25.664 1   15.132 ? 46  THR   B HG21 1 c 
ATOM   2457 H HG22 . THR   B 1 34  ? 14.073 -5.612  -25.302 1   15.133 ? 46  THR   B HG22 1 c 
ATOM   2458 H HG23 . THR   B 1 34  ? 14.559 -4.32   -26.081 1   15.177 ? 46  THR   B HG23 1 c 
ATOM   2459 N N    . PRO   B 1 35  ? 13.307 -5.956  -30.314 1   13.198 ? 47  PRO   B N    1 ? 
ATOM   2460 C CA   . PRO   B 1 35  ? 12.896 -6.508  -31.604 1   13.476 ? 47  PRO   B CA   1 ? 
ATOM   2461 C C    . PRO   B 1 35  ? 13.523 -7.849  -31.977 1   13.825 ? 47  PRO   B C    1 ? 
ATOM   2462 O O    . PRO   B 1 35  ? 14.617 -8.174  -31.525 1   13.269 ? 47  PRO   B O    1 ? 
ATOM   2463 C CB   . PRO   B 1 35  ? 13.312 -5.446  -32.622 1   13.586 ? 47  PRO   B CB   1 ? 
ATOM   2464 C CG   . PRO   B 1 35  ? 14.347 -4.609  -31.901 1   13.211 ? 47  PRO   B CG   1 ? 
ATOM   2465 C CD   . PRO   B 1 35  ? 14.01  -4.674  -30.408 1   12.057 ? 47  PRO   B CD   1 ? 
ATOM   2466 H HA   . PRO   B 1 35  ? 11.919 -6.594  -31.616 1   13.555 ? 47  PRO   B HA   1 c 
ATOM   2467 H HB2  . PRO   B 1 35  ? 13.692 -5.858  -33.422 1   13.524 ? 47  PRO   B HB2  1 c 
ATOM   2468 H HB3  . PRO   B 1 35  ? 12.547 -4.9    -32.886 1   13.534 ? 47  PRO   B HB3  1 c 
ATOM   2469 H HG2  . PRO   B 1 35  ? 15.245 -4.962  -32.061 1   13.155 ? 47  PRO   B HG2  1 c 
ATOM   2470 H HG3  . PRO   B 1 35  ? 14.317 -3.683  -32.214 1   13.168 ? 47  PRO   B HG3  1 c 
ATOM   2471 H HD2  . PRO   B 1 35  ? 14.817 -4.674  -29.859 1   12.433 ? 47  PRO   B HD2  1 c 
ATOM   2472 H HD3  . PRO   B 1 35  ? 13.431 -3.935  -30.137 1   12.273 ? 47  PRO   B HD3  1 c 
ATOM   2473 N N    . MET   B 1 36  ? 12.764 -8.61   -32.771 1   14.407 ? 48  MET   B N    1 ? 
ATOM   2474 C CA   . MET   B 1 36  ? 13.15  -9.913  -33.272 1   14.154 ? 48  MET   B CA   1 ? 
ATOM   2475 C C    . MET   B 1 36  ? 13.782 -9.766  -34.653 1   13.039 ? 48  MET   B C    1 ? 
ATOM   2476 O O    . MET   B 1 36  ? 13.459 -8.833  -35.385 1   13.983 ? 48  MET   B O    1 ? 
ATOM   2477 C CB   . MET   B 1 36  ? 11.936 -10.849 -33.36  1   14.6   ? 48  MET   B CB   1 ? 
ATOM   2478 C CG   . MET   B 1 36  ? 11.219 -11.053 -32.062 1   17.024 ? 48  MET   B CG   1 ? 
ATOM   2479 S SD   . MET   B 1 36  ? 12.258 -12.026 -30.956 1   17.849 ? 48  MET   B SD   1 ? 
ATOM   2480 C CE   . MET   B 1 36  ? 11.131 -12.107 -29.572 1   18.808 ? 48  MET   B CE   1 ? 
ATOM   2481 H H    . MET   B 1 36  ? 11.945 -8.287  -33.016 1   14.26  ? 48  MET   B H    1 c 
ATOM   2482 H HA   . MET   B 1 36  ? 13.822 -10.3   -32.656 1   14.051 ? 48  MET   B HA   1 c 
ATOM   2483 H HB2  . MET   B 1 36  ? 11.306 -10.481 -34.015 1   14.859 ? 48  MET   B HB2  1 c 
ATOM   2484 H HB3  . MET   B 1 36  ? 12.239 -11.721 -33.694 1   14.825 ? 48  MET   B HB3  1 c 
ATOM   2485 H HG2  . MET   B 1 36  ? 11.021 -10.189 -31.648 1   16.588 ? 48  MET   B HG2  1 c 
ATOM   2486 H HG3  . MET   B 1 36  ? 10.376 -11.523 -32.216 1   16.543 ? 48  MET   B HG3  1 c 
ATOM   2487 H HE1  . MET   B 1 36  ? 11.537 -12.624 -28.853 1   18.753 ? 48  MET   B HE1  1 c 
ATOM   2488 H HE2  . MET   B 1 36  ? 10.941 -11.204 -29.256 1   18.644 ? 48  MET   B HE2  1 c 
ATOM   2489 H HE3  . MET   B 1 36  ? 10.301 -12.534 -29.853 1   18.688 ? 48  MET   B HE3  1 c 
ATOM   2490 N N    . ILE   B 1 37  ? 14.599 -10.754 -35.033 1   13.696 ? 49  ILE   B N    1 ? 
ATOM   2491 C CA   . ILE   B 1 37  ? 15.098 -10.821 -36.395 1   14.83  ? 49  ILE   B CA   1 ? 
ATOM   2492 C C    . ILE   B 1 37  ? 13.897 -10.757 -37.32  1   14.511 ? 49  ILE   B C    1 ? 
ATOM   2493 O O    . ILE   B 1 37  ? 12.942 -11.509 -37.155 1   16.392 ? 49  ILE   B O    1 ? 
ATOM   2494 C CB   . ILE   B 1 37  ? 15.9   -12.099 -36.647 1   16.119 ? 49  ILE   B CB   1 ? 
ATOM   2495 C CG1  . ILE   B 1 37  ? 17.076 -12.235 -35.678 1   23.141 ? 49  ILE   B CG1  1 ? 
ATOM   2496 C CG2  . ILE   B 1 37  ? 16.379 -12.172 -38.087 1   16.117 ? 49  ILE   B CG2  1 ? 
ATOM   2497 C CD1  . ILE   B 1 37  ? 18.174 -11.231 -35.868 1   27.512 ? 49  ILE   B CD1  1 ? 
ATOM   2498 H H    . ILE   B 1 37  ? 14.837 -11.402 -34.435 1   13.805 ? 49  ILE   B H    1 c 
ATOM   2499 H HA   . ILE   B 1 37  ? 15.671 -10.047 -36.559 1   14.712 ? 49  ILE   B HA   1 c 
ATOM   2500 H HB   . ILE   B 1 37  ? 15.302 -12.857 -36.493 1   16.444 ? 49  ILE   B HB   1 c 
ATOM   2501 H HG12 . ILE   B 1 37  ? 16.742 -12.159 -34.763 1   21.629 ? 49  ILE   B HG12 1 c 
ATOM   2502 H HG13 . ILE   B 1 37  ? 17.457 -13.131 -35.78  1   21.867 ? 49  ILE   B HG13 1 c 
ATOM   2503 H HG21 . ILE   B 1 37  ? 16.94  -12.957 -38.203 1   16.127 ? 49  ILE   B HG21 1 c 
ATOM   2504 H HG22 . ILE   B 1 37  ? 16.892 -11.375 -38.302 1   16.141 ? 49  ILE   B HG22 1 c 
ATOM   2505 H HG23 . ILE   B 1 37  ? 15.615 -12.233 -38.684 1   16.105 ? 49  ILE   B HG23 1 c 
ATOM   2506 H HD11 . ILE   B 1 37  ? 18.564 -11.329 -36.756 1   26.423 ? 49  ILE   B HD11 1 c 
ATOM   2507 H HD12 . ILE   B 1 37  ? 18.864 -11.382 -35.196 1   26.483 ? 49  ILE   B HD12 1 c 
ATOM   2508 H HD13 . ILE   B 1 37  ? 17.818 -10.327 -35.767 1   26.322 ? 49  ILE   B HD13 1 c 
ATOM   2509 N N    . GLY   B 1 38  ? 14.015 -9.942  -38.375 1   15.903 ? 50  GLY   B N    1 ? 
ATOM   2510 C CA   . GLY   B 1 38  ? 12.963 -9.823  -39.365 1   17.434 ? 50  GLY   B CA   1 ? 
ATOM   2511 C C    . GLY   B 1 38  ? 11.99  -8.679  -39.087 1   16.586 ? 50  GLY   B C    1 ? 
ATOM   2512 O O    . GLY   B 1 38  ? 11.243 -8.305  -39.979 1   18.435 ? 50  GLY   B O    1 ? 
ATOM   2513 H H    . GLY   B 1 38  ? 14.776 -9.446  -38.48  1   15.927 ? 50  GLY   B H    1 c 
ATOM   2514 H HA2  . GLY   B 1 38  ? 13.378 -9.683  -40.248 1   16.92  ? 50  GLY   B HA2  1 c 
ATOM   2515 H HA3  . GLY   B 1 38  ? 12.462 -10.671 -39.403 1   16.948 ? 50  GLY   B HA3  1 c 
ATOM   2516 N N    . ASP   B 1 39  ? 11.978 -8.162  -37.854 1   15.653 ? 51  ASP   B N    1 ? 
ATOM   2517 C CA   . ASP   B 1 39  ? 11.081 -7.072  -37.549 1   14.835 ? 51  ASP   B CA   1 ? 
ATOM   2518 C C    . ASP   B 1 39  ? 11.506 -5.842  -38.335 1   14.569 ? 51  ASP   B C    1 ? 
ATOM   2519 O O    . ASP   B 1 39  ? 12.689 -5.597  -38.549 1   15.003 ? 51  ASP   B O    1 ? 
ATOM   2520 C CB   . ASP   B 1 39  ? 11.02  -6.74   -36.071 1   14.088 ? 51  ASP   B CB   1 ? 
ATOM   2521 C CG   . ASP   B 1 39  ? 10.286 -7.735  -35.183 1   15.042 ? 51  ASP   B CG   1 ? 
ATOM   2522 O OD1  . ASP   B 1 39  ? 9.636  -8.641  -35.736 1   16.988 ? 51  ASP   B OD1  1 ? 
ATOM   2523 O OD2  . ASP   B 1 39  ? 10.392 -7.554  -33.953 1   16.271 ? 51  ASP   B OD2  1 ? 
ATOM   2524 H H    . ASP   B 1 39  ? 12.529 -8.488  -37.202 1   15.612 ? 51  ASP   B H    1 c 
ATOM   2525 H HA   . ASP   B 1 39  ? 10.176 -7.329  -37.837 1   14.837 ? 51  ASP   B HA   1 c 
ATOM   2526 H HB2  . ASP   B 1 39  ? 11.937 -6.654  -35.735 1   14.364 ? 51  ASP   B HB2  1 c 
ATOM   2527 H HB3  . ASP   B 1 39  ? 10.583 -5.869  -35.966 1   14.426 ? 51  ASP   B HB3  1 c 
ATOM   2528 N N    . LYS   B 1 40  ? 10.518 -5.031  -38.686 1   15.734 ? 52  LYS   B N    1 ? 
ATOM   2529 C CA   . LYS   B 1 40  ? 10.775 -3.738  -39.294 1   15.247 ? 52  LYS   B CA   1 ? 
ATOM   2530 C C    . LYS   B 1 40  ? 11.012 -2.771  -38.15  1   13.679 ? 52  LYS   B C    1 ? 
ATOM   2531 O O    . LYS   B 1 40  ? 10.159 -2.647  -37.265 1   14.739 ? 52  LYS   B O    1 ? 
ATOM   2532 C CB   . LYS   B 1 40  ? 9.603  -3.395  -40.223 1   18.33  ? 52  LYS   B CB   1 ? 
ATOM   2533 C CG   . LYS   B 1 40  ? 9.736  -2.147  -41.033 1   22.031 ? 52  LYS   B CG   1 ? 
ATOM   2534 C CD   . LYS   B 1 40  ? 8.724  -2.113  -42.188 1   26.306 ? 52  LYS   B CD   1 ? 
ATOM   2535 H H    . LYS   B 1 40  ? 9.652  -5.287  -38.542 1   15.545 ? 52  LYS   B H    1 c 
ATOM   2536 H HA   . LYS   B 1 40  ? 11.602 -3.804  -39.837 1   15.426 ? 52  LYS   B HA   1 c 
ATOM   2537 H HB2  . LYS   B 1 40  ? 9.473  -4.148  -40.839 1   18.218 ? 52  LYS   B HB2  1 c 
ATOM   2538 H HB3  . LYS   B 1 40  ? 8.792  -3.319  -39.677 1   18.087 ? 52  LYS   B HB3  1 c 
ATOM   2539 H HG2  . LYS   B 1 40  ? 9.593  -1.37   -40.45  1   21.771 ? 52  LYS   B HG2  1 c 
ATOM   2540 H HG3  . LYS   B 1 40  ? 10.648 -2.096  -41.396 1   21.986 ? 52  LYS   B HG3  1 c 
ATOM   2541 H HD2  . LYS   B 1 40  ? 9.22   -2.038  -43.019 0   26.4   ? 52  LYS   B HD2  1 c 
ATOM   2542 H HD3  . LYS   B 1 40  ? 7.82   -2.1    -41.8   0   26.4   ? 52  LYS   B HD3  1 c 
ATOM   2543 N N    . VAL   B 1 41  ? 12.14  -2.085  -38.151 1   14.246 ? 53  VAL   B N    1 ? 
ATOM   2544 C CA   . VAL   B 1 41  ? 12.541 -1.216  -37.053 1   13.476 ? 53  VAL   B CA   1 ? 
ATOM   2545 C C    . VAL   B 1 41  ? 12.596 0.214   -37.589 1   13.035 ? 53  VAL   B C    1 ? 
ATOM   2546 O O    . VAL   B 1 41  ? 13.04  0.442   -38.709 1   14.27  ? 53  VAL   B O    1 ? 
ATOM   2547 C CB   . VAL   B 1 41  ? 13.854 -1.614  -36.344 1   14.358 ? 53  VAL   B CB   1 ? 
ATOM   2548 C CG1  . VAL   B 1 41  ? 13.853 -3.059  -35.892 1   14.336 ? 53  VAL   B CG1  1 ? 
ATOM   2549 C CG2  . VAL   B 1 41  ? 15.034 -1.463  -37.223 1   18.085 ? 53  VAL   B CG2  1 ? 
ATOM   2550 H H    . VAL   B 1 41  ? 12.697 -2.156  -38.873 1   14.334 ? 53  VAL   B H    1 c 
ATOM   2551 H HA   . VAL   B 1 41  ? 11.831 -1.249  -36.383 1   13.719 ? 53  VAL   B HA   1 c 
ATOM   2552 H HB   . VAL   B 1 41  ? 13.963 -1.031  -35.557 1   14.825 ? 53  VAL   B HB   1 c 
ATOM   2553 H HG11 . VAL   B 1 41  ? 13.757 -3.641  -36.664 1   14.412 ? 53  VAL   B HG11 1 c 
ATOM   2554 H HG12 . VAL   B 1 41  ? 13.11  -3.207  -35.282 1   14.497 ? 53  VAL   B HG12 1 c 
ATOM   2555 H HG13 . VAL   B 1 41  ? 14.688 -3.26   -35.437 1   14.436 ? 53  VAL   B HG13 1 c 
ATOM   2556 H HG21 . VAL   B 1 41  ? 15.831 -1.739  -36.741 1   17.318 ? 53  VAL   B HG21 1 c 
ATOM   2557 H HG22 . VAL   B 1 41  ? 15.125 -0.534  -37.491 1   17.289 ? 53  VAL   B HG22 1 c 
ATOM   2558 H HG23 . VAL   B 1 41  ? 14.926 -2.018  -38.012 1   17.109 ? 53  VAL   B HG23 1 c 
ATOM   2559 N N    . TYR   B 1 42  ? 12.065 1.148   -36.792 1   13.448 ? 54  TYR   B N    1 ? 
ATOM   2560 C CA   . TYR   B 1 42  ? 12.022 2.567   -37.121 1   13.006 ? 54  TYR   B CA   1 ? 
ATOM   2561 C C    . TYR   B 1 42  ? 12.885 3.319   -36.117 1   13.485 ? 54  TYR   B C    1 ? 
ATOM   2562 O O    . TYR   B 1 42  ? 12.62  3.266   -34.913 1   13.542 ? 54  TYR   B O    1 ? 
ATOM   2563 C CB   . TYR   B 1 42  ? 10.592 3.101   -37.021 1   13.871 ? 54  TYR   B CB   1 ? 
ATOM   2564 C CG   . TYR   B 1 42  ? 9.612  2.453   -37.972 1   14.407 ? 54  TYR   B CG   1 ? 
ATOM   2565 C CD1  . TYR   B 1 42  ? 9.204  1.142   -37.805 1   16.559 ? 54  TYR   B CD1  1 ? 
ATOM   2566 C CD2  . TYR   B 1 42  ? 9.019  3.188   -38.983 1   14.287 ? 54  TYR   B CD2  1 ? 
ATOM   2567 C CE1  . TYR   B 1 42  ? 8.28   0.562   -38.661 1   17.902 ? 54  TYR   B CE1  1 ? 
ATOM   2568 C CE2  . TYR   B 1 42  ? 8.12   2.602   -39.874 1   16.095 ? 54  TYR   B CE2  1 ? 
ATOM   2569 C CZ   . TYR   B 1 42  ? 7.726  1.288   -39.694 1   17.687 ? 54  TYR   B CZ   1 ? 
ATOM   2570 O OH   . TYR   B 1 42  ? 6.848  0.658   -40.521 1   21.756 ? 54  TYR   B OH   1 ? 
ATOM   2571 H H    . TYR   B 1 42  ? 11.71  0.885   -35.992 1   13.465 ? 54  TYR   B H    1 c 
ATOM   2572 H HA   . TYR   B 1 42  ? 12.37  2.711   -38.04  1   13.114 ? 54  TYR   B HA   1 c 
ATOM   2573 H HB2  . TYR   B 1 42  ? 10.274 2.968   -36.101 1   13.874 ? 54  TYR   B HB2  1 c 
ATOM   2574 H HB3  . TYR   B 1 42  ? 10.609 4.069   -37.194 1   13.921 ? 54  TYR   B HB3  1 c 
ATOM   2575 H HD1  . TYR   B 1 42  ? 9.567  0.628   -37.101 1   16.217 ? 54  TYR   B HD1  1 c 
ATOM   2576 H HD2  . TYR   B 1 42  ? 9.276  4.087   -39.113 1   14.747 ? 54  TYR   B HD2  1 c 
ATOM   2577 H HE1  . TYR   B 1 42  ? 8.037  -0.341  -38.544 1   17.423 ? 54  TYR   B HE1  1 c 
ATOM   2578 H HE2  . TYR   B 1 42  ? 7.75   3.111   -40.575 1   16.08  ? 54  TYR   B HE2  1 c 
ATOM   2579 H HH   . TYR   B 1 42  ? 6.742  -0.156  -40.274 0   21.92  ? 54  TYR   B HH   1 c 
ATOM   2580 N N    . VAL   B 1 43  ? 13.896 4.055   -36.613 1   12.046 ? 55  VAL   B N    1 ? 
ATOM   2581 C CA   . VAL   B 1 43  ? 14.76  4.809   -35.739 1   12.94  ? 55  VAL   B CA   1 ? 
ATOM   2582 C C    . VAL   B 1 43  ? 14.96  6.244   -36.212 1   13.611 ? 55  VAL   B C    1 ? 
ATOM   2583 O O    . VAL   B 1 43  ? 14.808 6.547   -37.388 1   15.136 ? 55  VAL   B O    1 ? 
ATOM   2584 C CB   . VAL   B 1 43  ? 16.134 4.149   -35.567 1   11.936 ? 55  VAL   B CB   1 ? 
ATOM   2585 C CG1  . VAL   B 1 43  ? 16.01  2.718   -35.11  1   13.414 ? 55  VAL   B CG1  1 ? 
ATOM   2586 C CG2  . VAL   B 1 43  ? 17.008 4.232   -36.803 1   12.298 ? 55  VAL   B CG2  1 ? 
ATOM   2587 H H    . VAL   B 1 43  ? 14.042 4.082   -37.515 1   12.397 ? 55  VAL   B H    1 c 
ATOM   2588 H HA   . VAL   B 1 43  ? 14.336 4.844   -34.861 1   12.764 ? 55  VAL   B HA   1 c 
ATOM   2589 H HB   . VAL   B 1 43  ? 16.599 4.642   -34.852 1   12.305 ? 55  VAL   B HB   1 c 
ATOM   2590 H HG11 . VAL   B 1 43  ? 15.532 2.202   -35.78  1   13.132 ? 55  VAL   B HG11 1 c 
ATOM   2591 H HG12 . VAL   B 1 43  ? 15.524 2.686   -34.27  1   13.16  ? 55  VAL   B HG12 1 c 
ATOM   2592 H HG13 . VAL   B 1 43  ? 16.897 2.34    -34.985 1   13.058 ? 55  VAL   B HG13 1 c 
ATOM   2593 H HG21 . VAL   B 1 43  ? 17.847 3.77    -36.639 1   12.299 ? 55  VAL   B HG21 1 c 
ATOM   2594 H HG22 . VAL   B 1 43  ? 17.19  5.163   -37.014 1   12.283 ? 55  VAL   B HG22 1 c 
ATOM   2595 H HG23 . VAL   B 1 43  ? 16.552 3.814   -37.553 1   12.199 ? 55  VAL   B HG23 1 c 
ATOM   2596 N N    . HIS   B 1 44  ? 15.43  7.079   -35.28  1   14.009 ? 56  HIS   B N    1 ? 
ATOM   2597 C CA   . HIS   B 1 44  ? 16.184 8.288   -35.596 1   16.091 ? 56  HIS   B CA   1 ? 
ATOM   2598 C C    . HIS   B 1 44  ? 17.617 8.055   -35.139 1   14.851 ? 56  HIS   B C    1 ? 
ATOM   2599 O O    . HIS   B 1 44  ? 17.848 7.353   -34.156 1   14.554 ? 56  HIS   B O    1 ? 
ATOM   2600 C CB   . HIS   B 1 44  ? 15.558 9.517   -34.908 1   18.589 ? 56  HIS   B CB   1 ? 
ATOM   2601 C CG   . HIS   B 1 44  ? 14.546 10.161  -35.754 1   23.56  ? 56  HIS   B CG   1 ? 
ATOM   2602 N ND1  . HIS   B 1 44  ? 14.778 10.554  -37.062 1   29.223 ? 56  HIS   B ND1  1 ? 
ATOM   2603 C CD2  . HIS   B 1 44  ? 13.293 10.551  -35.434 1   26.676 ? 56  HIS   B CD2  1 ? 
ATOM   2604 C CE1  . HIS   B 1 44  ? 13.676 11.12   -37.53  1   31.706 ? 56  HIS   B CE1  1 ? 
ATOM   2605 N NE2  . HIS   B 1 44  ? 12.77  11.154  -36.551 1   32.779 ? 56  HIS   B NE2  1 ? 
ATOM   2606 H H    . HIS   B 1 44  ? 15.273 6.886   -34.4   1   14.144 ? 56  HIS   B H    1 c 
ATOM   2607 H HA   . HIS   B 1 44  ? 16.183 8.415   -36.575 1   15.827 ? 56  HIS   B HA   1 c 
ATOM   2608 H HB2  . HIS   B 1 44  ? 15.143 9.234   -34.065 1   18.715 ? 56  HIS   B HB2  1 c 
ATOM   2609 H HB3  . HIS   B 1 44  ? 16.267 10.165  -34.704 1   18.379 ? 56  HIS   B HB3  1 c 
ATOM   2610 H HD1  . HIS   B 1 44  ? 15.518 10.447  -37.506 0   29.45  ? 56  HIS   B HD1  1 c 
ATOM   2611 H HD2  . HIS   B 1 44  ? 12.859 10.439  -34.612 1   26.549 ? 56  HIS   B HD2  1 c 
ATOM   2612 H HE1  . HIS   B 1 44  ? 13.563 11.465  -38.399 1   31.183 ? 56  HIS   B HE1  1 c 
ATOM   2613 H HE2  . HIS   B 1 44  ? 11.96  11.515  -36.595 0   32.87  ? 56  HIS   B HE2  1 c 
ATOM   2614 N N    . TYR   B 1 45  ? 18.59  8.61    -35.869 1   14.203 ? 57  TYR   B N    1 ? 
ATOM   2615 C CA   . TYR   B 1 45  ? 19.969 8.457   -35.479 1   15.949 ? 57  TYR   B CA   1 ? 
ATOM   2616 C C    . TYR   B 1 45  ? 20.797 9.663   -35.916 1   15.973 ? 57  TYR   B C    1 ? 
ATOM   2617 O O    . TYR   B 1 45  ? 20.439 10.389  -36.861 1   17.293 ? 57  TYR   B O    1 ? 
ATOM   2618 C CB   . TYR   B 1 45  ? 20.592 7.171   -36.049 1   13.708 ? 57  TYR   B CB   1 ? 
ATOM   2619 C CG   . TYR   B 1 45  ? 20.908 7.229   -37.525 1   12.939 ? 57  TYR   B CG   1 ? 
ATOM   2620 C CD1  . TYR   B 1 45  ? 19.928 6.957   -38.457 1   15.05  ? 57  TYR   B CD1  1 ? 
ATOM   2621 C CD2  . TYR   B 1 45  ? 22.102 7.695   -37.986 1   13.553 ? 57  TYR   B CD2  1 ? 
ATOM   2622 C CE1  . TYR   B 1 45  ? 20.18  7.049   -39.821 1   14.985 ? 57  TYR   B CE1  1 ? 
ATOM   2623 C CE2  . TYR   B 1 45  ? 22.338 7.853   -39.342 1   13.269 ? 57  TYR   B CE2  1 ? 
ATOM   2624 C CZ   . TYR   B 1 45  ? 21.395 7.492   -40.278 1   13.492 ? 57  TYR   B CZ   1 ? 
ATOM   2625 O OH   . TYR   B 1 45  ? 21.623 7.618   -41.636 1   17.507 ? 57  TYR   B OH   1 ? 
ATOM   2626 H H    . TYR   B 1 45  ? 18.385 9.091   -36.619 1   14.551 ? 57  TYR   B H    1 c 
ATOM   2627 H HA   . TYR   B 1 45  ? 20.003 8.404   -34.489 1   15.282 ? 57  TYR   B HA   1 c 
ATOM   2628 H HB2  . TYR   B 1 45  ? 21.42  6.981   -35.555 1   13.897 ? 57  TYR   B HB2  1 c 
ATOM   2629 H HB3  . TYR   B 1 45  ? 19.97  6.427   -35.887 1   13.875 ? 57  TYR   B HB3  1 c 
ATOM   2630 H HD1  . TYR   B 1 45  ? 19.086 6.644   -38.164 1   14.865 ? 57  TYR   B HD1  1 c 
ATOM   2631 H HD2  . TYR   B 1 45  ? 22.773 7.941   -37.369 1   13.343 ? 57  TYR   B HD2  1 c 
ATOM   2632 H HE1  . TYR   B 1 45  ? 19.504 6.823   -40.437 1   14.567 ? 57  TYR   B HE1  1 c 
ATOM   2633 H HE2  . TYR   B 1 45  ? 23.185 8.146   -39.63  1   13.403 ? 57  TYR   B HE2  1 c 
ATOM   2634 H HH   . TYR   B 1 45  ? 20.919 7.397   -42.072 0   17.75  ? 57  TYR   B HH   1 c 
ATOM   2635 N N    . LYS   B 1 46  ? 21.992 9.729   -35.302 1   16.664 ? 58  LYS   B N    1 ? 
ATOM   2636 C CA   . LYS   B 1 46  ? 23.106 10.543  -35.769 1   18.034 ? 58  LYS   B CA   1 ? 
ATOM   2637 C C    . LYS   B 1 46  ? 24.353 9.673   -35.671 1   17.033 ? 58  LYS   B C    1 ? 
ATOM   2638 O O    . LYS   B 1 46  ? 24.531 8.917   -34.708 1   18.204 ? 58  LYS   B O    1 ? 
ATOM   2639 C CB   . LYS   B 1 46  ? 23.467 11.753  -34.882 1   22.015 ? 58  LYS   B CB   1 ? 
ATOM   2640 C CG   . LYS   B 1 46  ? 22.353 12.319  -34.125 1   22.905 ? 58  LYS   B CG   1 ? 
ATOM   2641 C CD   . LYS   B 1 46  ? 22.275 13.805  -33.952 1   23.375 ? 58  LYS   B CD   1 ? 
ATOM   2642 C CE   . LYS   B 1 46  ? 22.406 14.326  -32.619 1   25.775 ? 58  LYS   B CE   1 ? 
ATOM   2643 N NZ   . LYS   B 1 46  ? 21.919 15.708  -32.64  1   21.959 ? 58  LYS   B NZ   1 ? 
ATOM   2644 H H    . LYS   B 1 46  ? 22.113 9.236   -34.542 1   16.752 ? 58  LYS   B H    1 c 
ATOM   2645 H HA   . LYS   B 1 46  ? 22.949 10.815  -36.707 1   18.081 ? 58  LYS   B HA   1 c 
ATOM   2646 H HB2  . LYS   B 1 46  ? 24.164 11.484  -34.247 1   21.387 ? 58  LYS   B HB2  1 c 
ATOM   2647 H HB3  . LYS   B 1 46  ? 23.843 12.456  -35.453 1   21.281 ? 58  LYS   B HB3  1 c 
ATOM   2648 H HG2  . LYS   B 1 46  ? 21.522 12.025  -34.555 1   22.867 ? 58  LYS   B HG2  1 c 
ATOM   2649 H HG3  . LYS   B 1 46  ? 22.366 11.909  -33.232 1   22.907 ? 58  LYS   B HG3  1 c 
ATOM   2650 H HD2  . LYS   B 1 46  ? 22.969 14.215  -34.511 1   23.643 ? 58  LYS   B HD2  1 c 
ATOM   2651 H HD3  . LYS   B 1 46  ? 21.411 14.099  -34.314 1   23.761 ? 58  LYS   B HD3  1 c 
ATOM   2652 H HE2  . LYS   B 1 46  ? 21.878 13.802  -31.99  1   24.472 ? 58  LYS   B HE2  1 c 
ATOM   2653 H HE3  . LYS   B 1 46  ? 23.339 14.311  -32.338 1   24.812 ? 58  LYS   B HE3  1 c 
ATOM   2654 H HZ1  . LYS   B 1 46  ? 21.034 15.725  -32.837 1   22.481 ? 58  LYS   B HZ1  1 c 
ATOM   2655 H HZ2  . LYS   B 1 46  ? 22.373 16.185  -33.26  1   22.862 ? 58  LYS   B HZ2  1 c 
ATOM   2656 H HZ3  . LYS   B 1 46  ? 22.045 16.086  -31.826 1   22.617 ? 58  LYS   B HZ3  1 c 
ATOM   2657 N N    . GLY   B 1 47  ? 25.216 9.84    -36.664 1   17.124 ? 59  GLY   B N    1 ? 
ATOM   2658 C CA   . GLY   B 1 47  ? 26.394 9.019   -36.77  1   17.373 ? 59  GLY   B CA   1 ? 
ATOM   2659 C C    . GLY   B 1 47  ? 27.587 9.851   -37.226 1   16.935 ? 59  GLY   B C    1 ? 
ATOM   2660 O O    . GLY   B 1 47  ? 27.438 10.854  -37.943 1   15.529 ? 59  GLY   B O    1 ? 
ATOM   2661 H H    . GLY   B 1 47  ? 25.065 10.485  -37.294 1   17.262 ? 59  GLY   B H    1 c 
ATOM   2662 H HA2  . GLY   B 1 47  ? 26.588 8.612   -35.897 1   17.022 ? 59  GLY   B HA2  1 c 
ATOM   2663 H HA3  . GLY   B 1 47  ? 26.228 8.294   -37.417 1   17.327 ? 59  GLY   B HA3  1 c 
ATOM   2664 N N    . LYS   B 1 48  ? 28.77  9.402   -36.825 1   15.392 ? 60  LYS   B N    1 ? 
ATOM   2665 C CA   . LYS   B 1 48  ? 29.969 10.045  -37.308 1   17.249 ? 60  LYS   B CA   1 ? 
ATOM   2666 C C    . LYS   B 1 48  ? 31.163 9.092   -37.286 1   18.076 ? 60  LYS   B C    1 ? 
ATOM   2667 O O    . LYS   B 1 48  ? 31.182 8.101   -36.572 1   17.251 ? 60  LYS   B O    1 ? 
ATOM   2668 C CB   . LYS   B 1 48  ? 30.275 11.288  -36.473 1   19.215 ? 60  LYS   B CB   1 ? 
ATOM   2669 C CG   . LYS   B 1 48  ? 30.549 11.121  -34.999 1   21.182 ? 60  LYS   B CG   1 ? 
ATOM   2670 C CD   . LYS   B 1 48  ? 31.042 12.433  -34.408 1   25.278 ? 60  LYS   B CD   1 ? 
ATOM   2671 C CE   . LYS   B 1 48  ? 31.095 12.411  -32.94  1   29.481 ? 60  LYS   B CE   1 ? 
ATOM   2672 N NZ   . LYS   B 1 48  ? 31.55  13.722  -32.482 1   31.501 ? 60  LYS   B NZ   1 ? 
ATOM   2673 H H    . LYS   B 1 48  ? 28.833 8.693   -36.251 1   15.864 ? 60  LYS   B H    1 c 
ATOM   2674 H HA   . LYS   B 1 48  ? 29.814 10.324  -38.246 1   17.262 ? 60  LYS   B HA   1 c 
ATOM   2675 H HB2  . LYS   B 1 48  ? 31.056 11.729  -36.871 1   19.222 ? 60  LYS   B HB2  1 c 
ATOM   2676 H HB3  . LYS   B 1 48  ? 29.518 11.905  -36.566 1   19.066 ? 60  LYS   B HB3  1 c 
ATOM   2677 H HG2  . LYS   B 1 48  ? 29.723 10.843  -34.546 1   21.023 ? 60  LYS   B HG2  1 c 
ATOM   2678 H HG3  . LYS   B 1 48  ? 31.228 10.424  -34.87  1   21.357 ? 60  LYS   B HG3  1 c 
ATOM   2679 H HD2  . LYS   B 1 48  ? 31.94  12.623  -34.758 1   25.272 ? 60  LYS   B HD2  1 c 
ATOM   2680 H HD3  . LYS   B 1 48  ? 30.446 13.158  -34.697 1   25.002 ? 60  LYS   B HD3  1 c 
ATOM   2681 H HE2  . LYS   B 1 48  ? 30.214 12.223  -32.571 1   29.127 ? 60  LYS   B HE2  1 c 
ATOM   2682 H HE3  . LYS   B 1 48  ? 31.717 11.726  -32.636 1   29.031 ? 60  LYS   B HE3  1 c 
ATOM   2683 H HZ1  . LYS   B 1 48  ? 30.97  14.363  -32.753 1   31.194 ? 60  LYS   B HZ1  1 c 
ATOM   2684 H HZ2  . LYS   B 1 48  ? 32.372 13.9    -32.821 1   31.096 ? 60  LYS   B HZ2  1 c 
ATOM   2685 H HZ3  . LYS   B 1 48  ? 31.597 13.728  -31.577 1   31.083 ? 60  LYS   B HZ3  1 c 
ATOM   2686 N N    . LEU   B 1 49  ? 32.164 9.403   -38.106 1   19.509 ? 61  LEU   B N    1 ? 
ATOM   2687 C CA   . LEU   B 1 49  ? 33.462 8.772   -37.949 1   23.178 ? 61  LEU   B CA   1 ? 
ATOM   2688 C C    . LEU   B 1 49  ? 34.079 9.313   -36.673 1   24.661 ? 61  LEU   B C    1 ? 
ATOM   2689 O O    . LEU   B 1 49  ? 33.81  10.444  -36.31  1   26.452 ? 61  LEU   B O    1 ? 
ATOM   2690 C CB   . LEU   B 1 49  ? 34.354 9.048   -39.151 1   25.537 ? 61  LEU   B CB   1 ? 
ATOM   2691 C CG   . LEU   B 1 49  ? 33.761 8.697   -40.515 1   26.456 ? 61  LEU   B CG   1 ? 
ATOM   2692 C CD1  . LEU   B 1 49  ? 34.786 9.084   -41.594 1   29.814 ? 61  LEU   B CD1  1 ? 
ATOM   2693 C CD2  . LEU   B 1 49  ? 33.355 7.252   -40.623 1   26.221 ? 61  LEU   B CD2  1 ? 
ATOM   2694 H H    . LEU   B 1 49  ? 32.042 10.024  -38.766 1   19.781 ? 61  LEU   B H    1 c 
ATOM   2695 H HA   . LEU   B 1 49  ? 33.33  7.794   -37.855 1   22.864 ? 61  LEU   B HA   1 c 
ATOM   2696 H HB2  . LEU   B 1 49  ? 34.582 10.007  -39.15  1   25.364 ? 61  LEU   B HB2  1 c 
ATOM   2697 H HB3  . LEU   B 1 49  ? 35.191 8.542   -39.035 1   25.291 ? 61  LEU   B HB3  1 c 
ATOM   2698 H HG   . LEU   B 1 49  ? 32.951 9.252   -40.653 1   26.643 ? 61  LEU   B HG   1 c 
ATOM   2699 H HD11 . LEU   B 1 49  ? 34.962 10.038  -41.547 1   29.164 ? 61  LEU   B HD11 1 c 
ATOM   2700 H HD12 . LEU   B 1 49  ? 34.432 8.864   -42.472 1   29.175 ? 61  LEU   B HD12 1 c 
ATOM   2701 H HD13 . LEU   B 1 49  ? 35.613 8.594   -41.447 1   29.197 ? 61  LEU   B HD13 1 c 
ATOM   2702 H HD21 . LEU   B 1 49  ? 32.656 7.064   -39.977 1   26.402 ? 61  LEU   B HD21 1 c 
ATOM   2703 H HD22 . LEU   B 1 49  ? 34.124 6.684   -40.444 1   26.319 ? 61  LEU   B HD22 1 c 
ATOM   2704 H HD23 . LEU   B 1 49  ? 33.023 7.074   -41.519 1   26.114 ? 61  LEU   B HD23 1 c 
ATOM   2705 N N    . SER   B 1 50  ? 34.852 8.469   -35.978 1   27.64  ? 62  SER   B N    1 ? 
ATOM   2706 C CA   . SER   B 1 50  ? 35.566 8.892   -34.777 1   34.287 ? 62  SER   B CA   1 ? 
ATOM   2707 C C    . SER   B 1 50  ? 36.413 10.12   -35.043 1   38.182 ? 62  SER   B C    1 ? 
ATOM   2708 O O    . SER   B 1 50  ? 36.225 11.133  -34.381 1   47.263 ? 62  SER   B O    1 ? 
ATOM   2709 C CB   . SER   B 1 50  ? 36.441 7.786   -34.221 1   35.031 ? 62  SER   B CB   1 ? 
ATOM   2710 O OG   . SER   B 1 50  ? 35.566 6.77    -33.771 1   41.015 ? 62  SER   B OG   1 ? 
ATOM   2711 H H    . SER   B 1 50  ? 34.94  7.605   -36.261 1   27.844 ? 62  SER   B H    1 c 
ATOM   2712 H HA   . SER   B 1 50  ? 34.891 9.127   -34.09  1   33.457 ? 62  SER   B HA   1 c 
ATOM   2713 H HB2  . SER   B 1 50  ? 37.031 7.441   -34.917 1   36.086 ? 62  SER   B HB2  1 c 
ATOM   2714 H HB3  . SER   B 1 50  ? 36.979 8.123   -33.479 1   35.324 ? 62  SER   B HB3  1 c 
ATOM   2715 H HG   . SER   B 1 50  ? 36.005 6.126   -33.462 0   41.34  ? 62  SER   B HG   1 c 
ATOM   2716 N N    . ASN   B 1 51  ? 37.378 9.982   -35.961 1   47.614 ? 63  ASN   B N    1 ? 
ATOM   2717 C CA   . ASN   B 1 51  ? 38.236 11.1    -36.343 1   50.841 ? 63  ASN   B CA   1 ? 
ATOM   2718 C C    . ASN   B 1 51  ? 37.767 11.603  -37.694 1   51.892 ? 63  ASN   B C    1 ? 
ATOM   2719 O O    . ASN   B 1 51  ? 36.927 10.994  -38.331 1   49.195 ? 63  ASN   B O    1 ? 
ATOM   2720 C CB   . ASN   B 1 51  ? 39.723 10.761  -36.395 1   50.119 ? 63  ASN   B CB   1 ? 
ATOM   2721 H H    . ASN   B 1 51  ? 37.502 9.172   -36.366 1   45.947 ? 63  ASN   B H    1 c 
ATOM   2722 H HA   . ASN   B 1 51  ? 38.121 11.822  -35.685 1   50.449 ? 63  ASN   B HA   1 c 
ATOM   2723 H HB2  . ASN   B 1 51  ? 40.248 11.577  -36.277 0   50.12  ? 63  ASN   B HB2  1 c 
ATOM   2724 H HB3  . ASN   B 1 51  ? 39.837 9.795   -36.537 0   50.12  ? 63  ASN   B HB3  1 c 
ATOM   2725 N N    . GLY   B 1 52  ? 38.297 12.744  -38.114 1   59.336 ? 64  GLY   B N    1 ? 
ATOM   2726 C CA   . GLY   B 1 52  ? 37.797 13.381  -39.316 1   63.7   ? 64  GLY   B CA   1 ? 
ATOM   2727 C C    . GLY   B 1 52  ? 36.318 13.745  -39.174 1   64.921 ? 64  GLY   B C    1 ? 
ATOM   2728 O O    . GLY   B 1 52  ? 35.637 13.422  -38.197 1   76.027 ? 64  GLY   B O    1 ? 
ATOM   2729 H H    . GLY   B 1 52  ? 38.987 13.131  -37.657 1   57.405 ? 64  GLY   B H    1 c 
ATOM   2730 H HA2  . GLY   B 1 52  ? 38.323 14.195  -39.495 1   63.193 ? 64  GLY   B HA2  1 c 
ATOM   2731 H HA3  . GLY   B 1 52  ? 37.915 12.767  -40.08  1   63.01  ? 64  GLY   B HA3  1 c 
ATOM   2732 N N    . LYS   B 1 53  ? 35.842 14.433  -40.199 1   54.834 ? 65  LYS   B N    1 ? 
ATOM   2733 C CA   . LYS   B 1 53  ? 34.586 15.145  -40.154 1   48.811 ? 65  LYS   B CA   1 ? 
ATOM   2734 C C    . LYS   B 1 53  ? 33.701 14.521  -41.228 1   41.558 ? 65  LYS   B C    1 ? 
ATOM   2735 O O    . LYS   B 1 53  ? 33.644 15.039  -42.352 1   43.219 ? 65  LYS   B O    1 ? 
ATOM   2736 C CB   . LYS   B 1 53  ? 34.823 16.654  -40.369 1   49.087 ? 65  LYS   B CB   1 ? 
ATOM   2737 H H    . LYS   B 1 53  ? 36.324 14.452  -40.976 1   55.123 ? 65  LYS   B H    1 c 
ATOM   2738 H HA   . LYS   B 1 53  ? 34.166 15.001  -39.268 1   48.517 ? 65  LYS   B HA   1 c 
ATOM   2739 H HB2  . LYS   B 1 53  ? 35.813 16.794  -40.372 0   49.31  ? 65  LYS   B HB2  1 c 
ATOM   2740 H HB3  . LYS   B 1 53  ? 33.978 17.087  -40.411 0   49.31  ? 65  LYS   B HB3  1 c 
ATOM   2741 N N    . LYS   B 1 54  ? 33.07  13.379  -40.905 1   29.381 ? 66  LYS   B N    1 ? 
ATOM   2742 C CA   . LYS   B 1 54  ? 31.881 12.975  -41.627 1   24.569 ? 66  LYS   B CA   1 ? 
ATOM   2743 C C    . LYS   B 1 54  ? 30.825 12.74   -40.557 1   24.511 ? 66  LYS   B C    1 ? 
ATOM   2744 O O    . LYS   B 1 54  ? 31.093 12.037  -39.562 1   27.377 ? 66  LYS   B O    1 ? 
ATOM   2745 C CB   . LYS   B 1 54  ? 32.004 11.734  -42.53  1   26.777 ? 66  LYS   B CB   1 ? 
ATOM   2746 H H    . LYS   B 1 54  ? 33.391 12.85   -40.233 1   29.775 ? 66  LYS   B H    1 c 
ATOM   2747 H HA   . LYS   B 1 54  ? 31.589 13.735  -42.191 1   25.517 ? 66  LYS   B HA   1 c 
ATOM   2748 H HB2  . LYS   B 1 54  ? 32.981 11.543  -42.671 0   27.62  ? 66  LYS   B HB2  1 c 
ATOM   2749 H HB3  . LYS   B 1 54  ? 31.131 11.404  -42.773 0   27.62  ? 66  LYS   B HB3  1 c 
ATOM   2750 N N    . PHE   B 1 55  ? 29.649 13.319  -40.799 1   23.392 ? 67  PHE   B N    1 ? 
ATOM   2751 C CA   . PHE   B 1 55  ? 28.535 13.302  -39.866 1   19.102 ? 67  PHE   B CA   1 ? 
ATOM   2752 C C    . PHE   B 1 55  ? 27.269 13.069  -40.693 1   18.063 ? 67  PHE   B C    1 ? 
ATOM   2753 O O    . PHE   B 1 55  ? 27.168 13.571  -41.809 1   21.809 ? 67  PHE   B O    1 ? 
ATOM   2754 C CB   . PHE   B 1 55  ? 28.436 14.667  -39.18  1   20.22  ? 67  PHE   B CB   1 ? 
ATOM   2755 C CG   . PHE   B 1 55  ? 27.454 14.704  -38.022 1   21.914 ? 67  PHE   B CG   1 ? 
ATOM   2756 C CD1  . PHE   B 1 55  ? 26.091 14.975  -38.198 1   22.21  ? 67  PHE   B CD1  1 ? 
ATOM   2757 C CD2  . PHE   B 1 55  ? 27.924 14.476  -36.731 1   22.544 ? 67  PHE   B CD2  1 ? 
ATOM   2758 C CE1  . PHE   B 1 55  ? 25.214 14.939  -37.094 1   22.391 ? 67  PHE   B CE1  1 ? 
ATOM   2759 C CE2  . PHE   B 1 55  ? 27.071 14.517  -35.644 1   23.22  ? 67  PHE   B CE2  1 ? 
ATOM   2760 C CZ   . PHE   B 1 55  ? 25.715 14.712  -35.833 1   22.523 ? 67  PHE   B CZ   1 ? 
ATOM   2761 H H    . PHE   B 1 55  ? 29.533 13.75   -41.596 1   22.503 ? 67  PHE   B H    1 c 
ATOM   2762 H HA   . PHE   B 1 55  ? 28.655 12.581  -39.195 1   19.492 ? 67  PHE   B HA   1 c 
ATOM   2763 H HB2  . PHE   B 1 55  ? 29.328 14.916  -38.85  1   20.335 ? 67  PHE   B HB2  1 c 
ATOM   2764 H HB3  . PHE   B 1 55  ? 28.165 15.334  -39.849 1   20.129 ? 67  PHE   B HB3  1 c 
ATOM   2765 H HD1  . PHE   B 1 55  ? 25.749 15.107  -39.068 1   22.383 ? 67  PHE   B HD1  1 c 
ATOM   2766 H HD2  . PHE   B 1 55  ? 28.844 14.316  -36.595 1   22.541 ? 67  PHE   B HD2  1 c 
ATOM   2767 H HE1  . PHE   B 1 55  ? 24.293 15.11   -37.215 1   22.36  ? 67  PHE   B HE1  1 c 
ATOM   2768 H HE2  . PHE   B 1 55  ? 27.407 14.352  -34.777 1   22.768 ? 67  PHE   B HE2  1 c 
ATOM   2769 H HZ   . PHE   B 1 55  ? 25.137 14.731  -35.088 1   22.318 ? 67  PHE   B HZ   1 c 
ATOM   2770 N N    . ASP   B 1 56  ? 26.351 12.279  -40.159 1   16.635 ? 68  ASP   B N    1 ? 
ATOM   2771 C CA   . ASP   B 1 56  ? 25.146 11.869  -40.864 1   17.63  ? 68  ASP   B CA   1 ? 
ATOM   2772 C C    . ASP   B 1 56  ? 24.009 11.844  -39.86  1   17.819 ? 68  ASP   B C    1 ? 
ATOM   2773 O O    . ASP   B 1 56  ? 24.192 11.393  -38.749 1   19.387 ? 68  ASP   B O    1 ? 
ATOM   2774 C CB   . ASP   B 1 56  ? 25.333 10.493  -41.468 1   19.331 ? 68  ASP   B CB   1 ? 
ATOM   2775 C CG   . ASP   B 1 56  ? 24.129 9.876   -42.15  1   20.406 ? 68  ASP   B CG   1 ? 
ATOM   2776 O OD1  . ASP   B 1 56  ? 23.481 10.606  -42.888 1   23.157 ? 68  ASP   B OD1  1 ? 
ATOM   2777 O OD2  . ASP   B 1 56  ? 23.918 8.665   -41.971 1   21.153 ? 68  ASP   B OD2  1 ? 
ATOM   2778 H H    . ASP   B 1 56  ? 26.477 11.977  -39.306 1   17.118 ? 68  ASP   B H    1 c 
ATOM   2779 H HA   . ASP   B 1 56  ? 24.946 12.522  -41.571 1   17.752 ? 68  ASP   B HA   1 c 
ATOM   2780 H HB2  . ASP   B 1 56  ? 26.055 10.544  -42.129 1   19.269 ? 68  ASP   B HB2  1 c 
ATOM   2781 H HB3  . ASP   B 1 56  ? 25.623 9.882   -40.759 1   19.286 ? 68  ASP   B HB3  1 c 
ATOM   2782 N N    . SER   B 1 57  ? 22.828 12.256  -40.304 1   21.373 ? 69  SER   B N    1 ? 
ATOM   2783 C CA   . SER   B 1 57  ? 21.708 12.345  -39.388 1   24.152 ? 69  SER   B CA   1 ? 
ATOM   2784 C C    . SER   B 1 57  ? 20.41  12.11   -40.132 1   25.418 ? 69  SER   B C    1 ? 
ATOM   2785 O O    . SER   B 1 57  ? 20.2   12.705  -41.197 1   29.84  ? 69  SER   B O    1 ? 
ATOM   2786 C CB   . SER   B 1 57  ? 21.649 13.67   -38.69  1   28.591 ? 69  SER   B CB   1 ? 
ATOM   2787 O OG   . SER   B 1 57  ? 20.604 13.596  -37.725 1   36.398 ? 69  SER   B OG   1 ? 
ATOM   2788 H H    . SER   B 1 57  ? 22.714 12.484  -41.182 1   20.916 ? 69  SER   B H    1 c 
ATOM   2789 H HA   . SER   B 1 57  ? 21.808 11.636  -38.705 1   24.728 ? 69  SER   B HA   1 c 
ATOM   2790 H HB2  . SER   B 1 57  ? 22.501 13.854  -38.251 1   28.495 ? 69  SER   B HB2  1 c 
ATOM   2791 H HB3  . SER   B 1 57  ? 21.462 14.379  -39.335 1   29.366 ? 69  SER   B HB3  1 c 
ATOM   2792 H HG   . SER   B 1 57  ? 20.574 14.346  -37.325 0   37.37  ? 69  SER   B HG   1 c 
ATOM   2793 N N    . SER   B 1 58  ? 19.54  11.29   -39.531 1   26.609 ? 70  SER   B N    1 ? 
ATOM   2794 C CA   . SER   B 1 58  ? 18.166 11.145  -40.023 1   28.344 ? 70  SER   B CA   1 ? 
ATOM   2795 C C    . SER   B 1 58  ? 17.365 12.42   -39.725 1   31.346 ? 70  SER   B C    1 ? 
ATOM   2796 O O    . SER   B 1 58  ? 16.355 12.712  -40.383 1   33.193 ? 70  SER   B O    1 ? 
ATOM   2797 C CB   . SER   B 1 58  ? 17.548 9.932   -39.371 1   26.922 ? 70  SER   B CB   1 ? 
ATOM   2798 O OG   . SER   B 1 58  ? 17.297 10.137  -37.976 1   21.47  ? 70  SER   B OG   1 ? 
ATOM   2799 H H    . SER   B 1 58  ? 19.797 10.823  -38.788 1   26.28  ? 70  SER   B H    1 c 
ATOM   2800 H HA   . SER   B 1 58  ? 18.192 11.006  -41.004 1   28.514 ? 70  SER   B HA   1 c 
ATOM   2801 H HB2  . SER   B 1 58  ? 16.709 9.719   -39.821 1   25.73  ? 70  SER   B HB2  1 c 
ATOM   2802 H HB3  . SER   B 1 58  ? 18.148 9.17    -39.48  1   26.216 ? 70  SER   B HB3  1 c 
ATOM   2803 H HG   . SER   B 1 58  ? 16.953 9.468   -37.681 0   21.59  ? 70  SER   B HG   1 c 
ATOM   2804 N N    . HIS   B 1 59  ? 17.8   13.187  -38.715 1   37.919 ? 71  HIS   B N    1 ? 
ATOM   2805 C CA   . HIS   B 1 59  ? 17.091 14.406  -38.316 1   39.377 ? 71  HIS   B CA   1 ? 
ATOM   2806 C C    . HIS   B 1 59  ? 17.192 15.473  -39.416 1   46.282 ? 71  HIS   B C    1 ? 
ATOM   2807 O O    . HIS   B 1 59  ? 16.537 16.5    -39.33  1   52.237 ? 71  HIS   B O    1 ? 
ATOM   2808 C CB   . HIS   B 1 59  ? 17.593 14.895  -36.955 1   44.381 ? 71  HIS   B CB   1 ? 
ATOM   2809 C CG   . HIS   B 1 59  ? 17.161 14.079  -35.771 1   49.975 ? 71  HIS   B CG   1 ? 
ATOM   2810 N ND1  . HIS   B 1 59  ? 15.858 13.992  -35.31  1   49.515 ? 71  HIS   B ND1  1 ? 
ATOM   2811 C CD2  . HIS   B 1 59  ? 17.898 13.355  -34.916 1   46.071 ? 71  HIS   B CD2  1 ? 
ATOM   2812 C CE1  . HIS   B 1 59  ? 15.818 13.219  -34.238 1   51.401 ? 71  HIS   B CE1  1 ? 
ATOM   2813 N NE2  . HIS   B 1 59  ? 17.048 12.806  -33.982 1   47.756 ? 71  HIS   B NE2  1 ? 
ATOM   2814 H H    . HIS   B 1 59  ? 18.553 12.947  -38.256 1   36.447 ? 71  HIS   B H    1 c 
ATOM   2815 H HA   . HIS   B 1 59  ? 16.136 14.167  -38.214 1   40.572 ? 71  HIS   B HA   1 c 
ATOM   2816 H HB2  . HIS   B 1 59  ? 18.573 14.922  -36.977 1   44.241 ? 71  HIS   B HB2  1 c 
ATOM   2817 H HB3  . HIS   B 1 59  ? 17.285 15.818  -36.826 1   44.131 ? 71  HIS   B HB3  1 c 
ATOM   2818 H HD1  . HIS   B 1 59  ? 15.158 14.351  -35.709 0   50.13  ? 71  HIS   B HD1  1 c 
ATOM   2819 H HD2  . HIS   B 1 59  ? 18.823 13.215  -34.959 1   47.368 ? 71  HIS   B HD2  1 c 
ATOM   2820 H HE1  . HIS   B 1 59  ? 15.045 12.991  -33.751 1   50.684 ? 71  HIS   B HE1  1 c 
ATOM   2821 H HE2  . HIS   B 1 59  ? 17.273 12.234  -33.367 0   49.1   ? 71  HIS   B HE2  1 c 
ATOM   2822 N N    . ASP   B 1 60  ? 17.991 15.234  -40.462 1   52.8   ? 72  ASP   B N    1 ? 
ATOM   2823 C CA   . ASP   B 1 60  ? 18.109 16.148  -41.599 1   57.529 ? 72  ASP   B CA   1 ? 
ATOM   2824 C C    . ASP   B 1 60  ? 16.846 16.118  -42.466 1   59.98  ? 72  ASP   B C    1 ? 
ATOM   2825 O O    . ASP   B 1 60  ? 16.388 17.187  -42.873 1   62.817 ? 72  ASP   B O    1 ? 
ATOM   2826 C CB   . ASP   B 1 60  ? 19.348 15.82   -42.419 1   61.216 ? 72  ASP   B CB   1 ? 
ATOM   2827 C CG   . ASP   B 1 60  ? 20.506 16.792  -42.286 1   67.166 ? 72  ASP   B CG   1 ? 
ATOM   2828 O OD1  . ASP   B 1 60  ? 20.489 17.773  -43.037 1   63.996 ? 72  ASP   B OD1  1 ? 
ATOM   2829 O OD2  . ASP   B 1 60  ? 21.376 16.557  -41.421 1   73.765 ? 72  ASP   B OD2  1 ? 
ATOM   2830 H H    . ASP   B 1 60  ? 18.477 14.461  -40.476 1   51.777 ? 72  ASP   B H    1 c 
ATOM   2831 H HA   . ASP   B 1 60  ? 18.218 17.059  -41.246 1   57.345 ? 72  ASP   B HA   1 c 
ATOM   2832 H HB2  . ASP   B 1 60  ? 19.678 14.935  -42.164 1   60.9   ? 72  ASP   B HB2  1 c 
ATOM   2833 H HB3  . ASP   B 1 60  ? 19.099 15.78   -43.366 1   61.409 ? 72  ASP   B HB3  1 c 
ATOM   2834 N N    . ARG   B 1 61  ? 16.339 14.919  -42.796 1   59.59  ? 73  ARG   B N    1 ? 
ATOM   2835 C CA   . ARG   B 1 61  ? 15.141 14.76   -43.611 1   60.695 ? 73  ARG   B CA   1 ? 
ATOM   2836 C C    . ARG   B 1 61  ? 13.884 14.882  -42.742 1   50.347 ? 73  ARG   B C    1 ? 
ATOM   2837 O O    . ARG   B 1 61  ? 12.781 14.938  -43.262 1   54.62  ? 73  ARG   B O    1 ? 
ATOM   2838 C CB   . ARG   B 1 61  ? 15.18  13.402  -44.332 1   62.572 ? 73  ARG   B CB   1 ? 
ATOM   2839 H H    . ARG   B 1 61  ? 16.765 14.165  -42.502 1   59.641 ? 73  ARG   B H    1 c 
ATOM   2840 H HA   . ARG   B 1 61  ? 15.125 15.479  -44.293 1   59.132 ? 73  ARG   B HA   1 c 
ATOM   2841 H HB2  . ARG   B 1 61  ? 16.003 13.087  -44.51  0   62.61  ? 73  ARG   B HB2  1 c 
ATOM   2842 H HB3  . ARG   B 1 61  ? 14.144 13.068  -44.52  0   62.61  ? 73  ARG   B HB3  1 c 
ATOM   2843 N N    . ASN   B 1 62  ? 14.054 14.861  -41.408 1   43.221 ? 74  ASN   B N    1 ? 
ATOM   2844 C CA   . ASN   B 1 62  ? 12.964 14.662  -40.449 1   39.224 ? 74  ASN   B CA   1 ? 
ATOM   2845 C C    . ASN   B 1 62  ? 12.13  13.433  -40.824 1   39.463 ? 74  ASN   B C    1 ? 
ATOM   2846 O O    . ASN   B 1 62  ? 10.941 13.429  -40.585 1   40.94  ? 74  ASN   B O    1 ? 
ATOM   2847 C CB   . ASN   B 1 62  ? 12.121 15.927  -40.275 1   40.319 ? 74  ASN   B CB   1 ? 
ATOM   2848 H H    . ASN   B 1 62  ? 14.897 14.978  -41.075 1   43.464 ? 74  ASN   B H    1 c 
ATOM   2849 H HA   . ASN   B 1 62  ? 13.377 14.477  -39.575 1   39.953 ? 74  ASN   B HA   1 c 
ATOM   2850 H HB2  . ASN   B 1 62  ? 12.723 16.685  -40.146 0   40.28  ? 74  ASN   B HB2  1 c 
ATOM   2851 H HB3  . ASN   B 1 62  ? 11.177 15.685  -40.301 0   40.28  ? 74  ASN   B HB3  1 c 
ATOM   2852 N N    . GLU   B 1 63  ? 12.776 12.369  -41.362 1   41.576 ? 75  GLU   B N    1 ? 
ATOM   2853 C CA   . GLU   B 1 63  ? 12.138 11.098  -41.694 1   36.89  ? 75  GLU   B CA   1 ? 
ATOM   2854 C C    . GLU   B 1 63  ? 12.855 9.981   -40.925 1   30.24  ? 75  GLU   B C    1 ? 
ATOM   2855 O O    . GLU   B 1 63  ? 14.072 9.926   -40.911 1   25.462 ? 75  GLU   B O    1 ? 
ATOM   2856 C CB   . GLU   B 1 63  ? 12.308 10.573  -43.127 1   39.581 ? 75  GLU   B CB   1 ? 
ATOM   2857 C CG   . GLU   B 1 63  ? 11.621 11.36   -44.233 1   42.296 ? 75  GLU   B CG   1 ? 
ATOM   2858 C CD   . GLU   B 1 63  ? 10.128 11.162  -44.217 1   39.191 ? 75  GLU   B CD   1 ? 
ATOM   2859 O OE1  . GLU   B 1 63  ? 9.567  10.328  -43.496 1   38.461 ? 75  GLU   B OE1  1 ? 
ATOM   2860 O OE2  . GLU   B 1 63  ? 9.52   11.903  -44.981 1   43.715 ? 75  GLU   B OE2  1 ? 
ATOM   2861 H H    . GLU   B 1 63  ? 13.674 12.445  -41.518 1   40.757 ? 75  GLU   B H    1 c 
ATOM   2862 H HA   . GLU   B 1 63  ? 11.182 11.131  -41.444 1   36.623 ? 75  GLU   B HA   1 c 
ATOM   2863 H HB2  . GLU   B 1 63  ? 13.266 10.554  -43.336 1   39.593 ? 75  GLU   B HB2  1 c 
ATOM   2864 H HB3  . GLU   B 1 63  ? 11.982 9.649   -43.161 1   39.593 ? 75  GLU   B HB3  1 c 
ATOM   2865 H HG2  . GLU   B 1 63  ? 11.818 12.314  -44.126 1   41.39  ? 75  GLU   B HG2  1 c 
ATOM   2866 H HG3  . GLU   B 1 63  ? 11.97  11.071  -45.103 1   41.253 ? 75  GLU   B HG3  1 c 
ATOM   2867 N N    . PRO   B 1 64  ? 12.141 9.058   -40.252 1   27.888 ? 76  PRO   B N    1 ? 
ATOM   2868 C CA   . PRO   B 1 64  ? 12.792 7.921   -39.634 1   23.243 ? 76  PRO   B CA   1 ? 
ATOM   2869 C C    . PRO   B 1 64  ? 13.496 7.039   -40.654 1   18.085 ? 76  PRO   B C    1 ? 
ATOM   2870 O O    . PRO   B 1 64  ? 13.097 6.983   -41.815 1   17.519 ? 76  PRO   B O    1 ? 
ATOM   2871 C CB   . PRO   B 1 64  ? 11.652 7.173   -38.931 1   25.532 ? 76  PRO   B CB   1 ? 
ATOM   2872 C CG   . PRO   B 1 64  ? 10.592 8.226   -38.757 1   31.257 ? 76  PRO   B CG   1 ? 
ATOM   2873 C CD   . PRO   B 1 64  ? 10.684 9.046   -40.026 1   30.88  ? 76  PRO   B CD   1 ? 
ATOM   2874 H HA   . PRO   B 1 64  ? 13.439 8.238   -38.969 1   22.826 ? 76  PRO   B HA   1 c 
ATOM   2875 H HB2  . PRO   B 1 64  ? 11.325 6.435   -39.48  1   25.656 ? 76  PRO   B HB2  1 c 
ATOM   2876 H HB3  . PRO   B 1 64  ? 11.944 6.823   -38.067 1   25.66  ? 76  PRO   B HB3  1 c 
ATOM   2877 H HG2  . PRO   B 1 64  ? 9.706  7.823   -38.665 1   30.062 ? 76  PRO   B HG2  1 c 
ATOM   2878 H HG3  . PRO   B 1 64  ? 10.772 8.781   -37.971 1   30.079 ? 76  PRO   B HG3  1 c 
ATOM   2879 H HD2  . PRO   B 1 64  ? 10.215 8.619   -40.769 1   30.434 ? 76  PRO   B HD2  1 c 
ATOM   2880 H HD3  . PRO   B 1 64  ? 10.337 9.95    -39.896 1   30.582 ? 76  PRO   B HD3  1 c 
ATOM   2881 N N    . PHE   B 1 65  ? 14.58  6.418   -40.199 1   16.403 ? 77  PHE   B N    1 ? 
ATOM   2882 C CA   . PHE   B 1 65  ? 15.282 5.391   -40.939 1   14.666 ? 77  PHE   B CA   1 ? 
ATOM   2883 C C    . PHE   B 1 65  ? 14.677 4.028   -40.586 1   14.177 ? 77  PHE   B C    1 ? 
ATOM   2884 O O    . PHE   B 1 65  ? 14.513 3.706   -39.401 1   15.425 ? 77  PHE   B O    1 ? 
ATOM   2885 C CB   . PHE   B 1 65  ? 16.762 5.469   -40.597 1   16.333 ? 77  PHE   B CB   1 ? 
ATOM   2886 C CG   . PHE   B 1 65  ? 17.609 4.433   -41.294 1   16.73  ? 77  PHE   B CG   1 ? 
ATOM   2887 C CD1  . PHE   B 1 65  ? 18.007 4.593   -42.626 1   20.847 ? 77  PHE   B CD1  1 ? 
ATOM   2888 C CD2  . PHE   B 1 65  ? 17.977 3.275   -40.64  1   18.806 ? 77  PHE   B CD2  1 ? 
ATOM   2889 C CE1  . PHE   B 1 65  ? 18.768 3.62    -43.245 1   22.574 ? 77  PHE   B CE1  1 ? 
ATOM   2890 C CE2  . PHE   B 1 65  ? 18.735 2.295   -41.268 1   18.322 ? 77  PHE   B CE2  1 ? 
ATOM   2891 C CZ   . PHE   B 1 65  ? 19.118 2.467   -42.574 1   18.882 ? 77  PHE   B CZ   1 ? 
ATOM   2892 H H    . PHE   B 1 65  ? 14.9   6.648   -39.374 1   16.321 ? 77  PHE   B H    1 c 
ATOM   2893 H HA   . PHE   B 1 65  ? 15.167 5.558   -41.912 1   15.07  ? 77  PHE   B HA   1 c 
ATOM   2894 H HB2  . PHE   B 1 65  ? 17.091 6.363   -40.838 1   16.135 ? 77  PHE   B HB2  1 c 
ATOM   2895 H HB3  . PHE   B 1 65  ? 16.864 5.362   -39.625 1   16.128 ? 77  PHE   B HB3  1 c 
ATOM   2896 H HD1  . PHE   B 1 65  ? 17.762 5.372   -43.098 1   20.201 ? 77  PHE   B HD1  1 c 
ATOM   2897 H HD2  . PHE   B 1 65  ? 17.707 3.146   -39.745 1   18.456 ? 77  PHE   B HD2  1 c 
ATOM   2898 H HE1  . PHE   B 1 65  ? 19.037 3.739   -44.142 1   21.602 ? 77  PHE   B HE1  1 c 
ATOM   2899 H HE2  . PHE   B 1 65  ? 18.98  1.513   -40.8   1   18.721 ? 77  PHE   B HE2  1 c 
ATOM   2900 H HZ   . PHE   B 1 65  ? 19.641 1.809   -43.004 1   19.497 ? 77  PHE   B HZ   1 c 
ATOM   2901 N N    . VAL   B 1 66  ? 14.32  3.256   -41.62  1   14.805 ? 78  VAL   B N    1 ? 
ATOM   2902 C CA   . VAL   B 1 66  ? 13.586 2.015   -41.457 1   14.02  ? 78  VAL   B CA   1 ? 
ATOM   2903 C C    . VAL   B 1 66  ? 14.365 0.898   -42.121 1   15.801 ? 78  VAL   B C    1 ? 
ATOM   2904 O O    . VAL   B 1 66  ? 14.829 1.049   -43.248 1   18.846 ? 78  VAL   B O    1 ? 
ATOM   2905 C CB   . VAL   B 1 66  ? 12.169 2.139   -42.066 1   14.643 ? 78  VAL   B CB   1 ? 
ATOM   2906 C CG1  . VAL   B 1 66  ? 11.368 0.877   -41.873 1   17.022 ? 78  VAL   B CG1  1 ? 
ATOM   2907 C CG2  . VAL   B 1 66  ? 11.453 3.349   -41.535 1   15.31  ? 78  VAL   B CG2  1 ? 
ATOM   2908 H H    . VAL   B 1 66  ? 14.549 3.517   -42.466 1   14.522 ? 78  VAL   B H    1 c 
ATOM   2909 H HA   . VAL   B 1 66  ? 13.503 1.823   -40.507 1   14.65  ? 78  VAL   B HA   1 c 
ATOM   2910 H HB   . VAL   B 1 66  ? 12.287 2.268   -43.035 1   15.134 ? 78  VAL   B HB   1 c 
ATOM   2911 H HG11 . VAL   B 1 66  ? 11.302 0.677   -40.924 1   16.794 ? 78  VAL   B HG11 1 c 
ATOM   2912 H HG12 . VAL   B 1 66  ? 11.805 0.139   -42.329 1   16.68  ? 78  VAL   B HG12 1 c 
ATOM   2913 H HG13 . VAL   B 1 66  ? 10.477 1       -42.24  1   16.604 ? 78  VAL   B HG13 1 c 
ATOM   2914 H HG21 . VAL   B 1 66  ? 10.557 3.385   -41.91  1   15.316 ? 78  VAL   B HG21 1 c 
ATOM   2915 H HG22 . VAL   B 1 66  ? 11.94  4.152   -41.785 1   15.364 ? 78  VAL   B HG22 1 c 
ATOM   2916 H HG23 . VAL   B 1 66  ? 11.396 3.294   -40.567 1   15.4   ? 78  VAL   B HG23 1 c 
ATOM   2917 N N    . PHE   B 1 67  ? 14.515 -0.222  -41.408 1   14.361 ? 79  PHE   B N    1 ? 
ATOM   2918 C CA   . PHE   B 1 67  ? 15.206 -1.371  -41.955 1   14.392 ? 79  PHE   B CA   1 ? 
ATOM   2919 C C    . PHE   B 1 67  ? 14.699 -2.612  -41.23  1   15.026 ? 79  PHE   B C    1 ? 
ATOM   2920 O O    . PHE   B 1 67  ? 14.022 -2.508  -40.175 1   15.415 ? 79  PHE   B O    1 ? 
ATOM   2921 C CB   . PHE   B 1 67  ? 16.727 -1.257  -41.836 1   14.065 ? 79  PHE   B CB   1 ? 
ATOM   2922 C CG   . PHE   B 1 67  ? 17.228 -1.411  -40.401 1   14.543 ? 79  PHE   B CG   1 ? 
ATOM   2923 C CD1  . PHE   B 1 67  ? 17.2   -0.341  -39.526 1   13.538 ? 79  PHE   B CD1  1 ? 
ATOM   2924 C CD2  . PHE   B 1 67  ? 17.795 -2.605  -39.945 1   14.964 ? 79  PHE   B CD2  1 ? 
ATOM   2925 C CE1  . PHE   B 1 67  ? 17.687 -0.476  -38.216 1   15.425 ? 79  PHE   B CE1  1 ? 
ATOM   2926 C CE2  . PHE   B 1 67  ? 18.256 -2.735  -38.637 1   14.993 ? 79  PHE   B CE2  1 ? 
ATOM   2927 C CZ   . PHE   B 1 67  ? 18.193 -1.683  -37.76  1   13.433 ? 79  PHE   B CZ   1 ? 
ATOM   2928 H H    . PHE   B 1 67  ? 14.18  -0.268  -40.559 1   14.697 ? 79  PHE   B H    1 c 
ATOM   2929 H HA   . PHE   B 1 67  ? 14.97  -1.451  -42.918 1   14.466 ? 79  PHE   B HA   1 c 
ATOM   2930 H HB2  . PHE   B 1 67  ? 17.14  -1.951  -42.397 1   14.241 ? 79  PHE   B HB2  1 c 
ATOM   2931 H HB3  . PHE   B 1 67  ? 17.005 -0.379  -42.181 1   14.307 ? 79  PHE   B HB3  1 c 
ATOM   2932 H HD1  . PHE   B 1 67  ? 16.842 0.484   -39.81  1   14.159 ? 79  PHE   B HD1  1 c 
ATOM   2933 H HD2  . PHE   B 1 67  ? 17.833 -3.348  -40.526 1   14.912 ? 79  PHE   B HD2  1 c 
ATOM   2934 H HE1  . PHE   B 1 67  ? 17.638 0.259   -37.626 1   14.632 ? 79  PHE   B HE1  1 c 
ATOM   2935 H HE2  . PHE   B 1 67  ? 18.614 -3.56   -38.35  1   14.743 ? 79  PHE   B HE2  1 c 
ATOM   2936 H HZ   . PHE   B 1 67  ? 18.52  -1.768  -36.879 1   14.017 ? 79  PHE   B HZ   1 c 
ATOM   2937 N N    . SER   B 1 68  ? 14.963 -3.769  -41.825 1   14.725 ? 80  SER   B N    1 ? 
ATOM   2938 C CA   . SER   B 1 68  ? 14.575 -5.059  -41.272 1   15.253 ? 80  SER   B CA   1 ? 
ATOM   2939 C C    . SER   B 1 68  ? 15.735 -5.634  -40.479 1   14.23  ? 80  SER   B C    1 ? 
ATOM   2940 O O    . SER   B 1 68  ? 16.835 -5.789  -41.015 1   16.35  ? 80  SER   B O    1 ? 
ATOM   2941 C CB   . SER   B 1 68  ? 14.116 -6.028  -42.323 1   18.507 ? 80  SER   B CB   1 ? 
ATOM   2942 O OG   . SER   B 1 68  ? 12.933 -5.567  -42.955 1   23.25  ? 80  SER   B OG   1 ? 
ATOM   2943 H H    . SER   B 1 68  ? 15.411 -3.758  -42.622 1   14.732 ? 80  SER   B H    1 c 
ATOM   2944 H HA   . SER   B 1 68  ? 13.823 -4.907  -40.649 1   15.219 ? 80  SER   B HA   1 c 
ATOM   2945 H HB2  . SER   B 1 68  ? 14.819 -6.139  -42.989 1   18.474 ? 80  SER   B HB2  1 c 
ATOM   2946 H HB3  . SER   B 1 68  ? 13.946 -6.896  -41.911 1   18.565 ? 80  SER   B HB3  1 c 
ATOM   2947 H HG   . SER   B 1 68  ? 12.704 -6.136  -43.537 0   23.27  ? 80  SER   B HG   1 c 
ATOM   2948 N N    . LEU   B 1 69  ? 15.479 -5.914  -39.191 1   14.045 ? 81  LEU   B N    1 ? 
ATOM   2949 C CA   . LEU   B 1 69  ? 16.534 -6.305  -38.259 1   13.505 ? 81  LEU   B CA   1 ? 
ATOM   2950 C C    . LEU   B 1 69  ? 17.126 -7.658  -38.65  1   16.239 ? 81  LEU   B C    1 ? 
ATOM   2951 O O    . LEU   B 1 69  ? 16.397 -8.636  -38.921 1   15.442 ? 81  LEU   B O    1 ? 
ATOM   2952 C CB   . LEU   B 1 69  ? 15.966 -6.343  -36.848 1   13.319 ? 81  LEU   B CB   1 ? 
ATOM   2953 C CG   . LEU   B 1 69  ? 17.018 -6.586  -35.742 1   15.034 ? 81  LEU   B CG   1 ? 
ATOM   2954 C CD1  . LEU   B 1 69  ? 17.969 -5.375  -35.618 1   17.126 ? 81  LEU   B CD1  1 ? 
ATOM   2955 C CD2  . LEU   B 1 69  ? 16.375 -6.873  -34.442 1   16.91  ? 81  LEU   B CD2  1 ? 
ATOM   2956 H H    . LEU   B 1 69  ? 14.62  -5.862  -38.883 1   14.01  ? 81  LEU   B H    1 c 
ATOM   2957 H HA   . LEU   B 1 69  ? 17.249 -5.621  -38.303 1   14.124 ? 81  LEU   B HA   1 c 
ATOM   2958 H HB2  . LEU   B 1 69  ? 15.517 -5.484  -36.671 1   13.751 ? 81  LEU   B HB2  1 c 
ATOM   2959 H HB3  . LEU   B 1 69  ? 15.292 -7.06   -36.803 1   13.698 ? 81  LEU   B HB3  1 c 
ATOM   2960 H HG   . LEU   B 1 69  ? 17.56  -7.377  -35.996 1   15.529 ? 81  LEU   B HG   1 c 
ATOM   2961 H HD11 . LEU   B 1 69  ? 18.447 -5.247  -36.455 1   16.999 ? 81  LEU   B HD11 1 c 
ATOM   2962 H HD12 . LEU   B 1 69  ? 18.609 -5.536  -34.904 1   16.808 ? 81  LEU   B HD12 1 c 
ATOM   2963 H HD13 . LEU   B 1 69  ? 17.454 -4.576  -35.415 1   16.868 ? 81  LEU   B HD13 1 c 
ATOM   2964 H HD21 . LEU   B 1 69  ? 15.814 -7.662  -34.524 1   16.657 ? 81  LEU   B HD21 1 c 
ATOM   2965 H HD22 . LEU   B 1 69  ? 15.83  -6.114  -34.175 1   16.722 ? 81  LEU   B HD22 1 c 
ATOM   2966 H HD23 . LEU   B 1 69  ? 17.058 -7.032  -33.769 1   16.705 ? 81  LEU   B HD23 1 c 
ATOM   2967 N N    . GLY   B 1 70  ? 18.468 -7.702  -38.58  1   16.459 ? 82  GLY   B N    1 ? 
ATOM   2968 C CA   . GLY   B 1 70  ? 19.196 -8.958  -38.486 1   20.246 ? 82  GLY   B CA   1 ? 
ATOM   2969 C C    . GLY   B 1 70  ? 19.399 -9.606  -39.838 1   21.042 ? 82  GLY   B C    1 ? 
ATOM   2970 O O    . GLY   B 1 70  ? 19.69  -10.809 -39.874 1   27.15  ? 82  GLY   B O    1 ? 
ATOM   2971 H H    . GLY   B 1 70  ? 18.941 -6.921  -38.596 1   17.024 ? 82  GLY   B H    1 c 
ATOM   2972 H HA2  . GLY   B 1 70  ? 20.072 -8.792  -38.067 1   19.58  ? 82  GLY   B HA2  1 c 
ATOM   2973 H HA3  . GLY   B 1 70  ? 18.696 -9.571  -37.905 1   19.669 ? 82  GLY   B HA3  1 c 
ATOM   2974 N N    . LYS   B 1 71  ? 19.229 -8.819  -40.916 1   19.297 ? 83  LYS   B N    1 ? 
ATOM   2975 C CA   . LYS   B 1 71  ? 19.333 -9.315  -42.28  1   20.485 ? 83  LYS   B CA   1 ? 
ATOM   2976 C C    . LYS   B 1 71  ? 20.537 -8.718  -43.022 1   21.039 ? 83  LYS   B C    1 ? 
ATOM   2977 O O    . LYS   B 1 71  ? 20.664 -8.911  -44.24  1   23.658 ? 83  LYS   B O    1 ? 
ATOM   2978 C CB   . LYS   B 1 71  ? 18.057 -8.964  -43.044 1   22.136 ? 83  LYS   B CB   1 ? 
ATOM   2979 C CG   . LYS   B 1 71  ? 16.826 -9.692  -42.502 1   25.994 ? 83  LYS   B CG   1 ? 
ATOM   2980 H H    . LYS   B 1 71  ? 19.043 -7.933  -40.792 1   19.669 ? 83  LYS   B H    1 c 
ATOM   2981 H HA   . LYS   B 1 71  ? 19.434 -10.3   -42.252 1   20.597 ? 83  LYS   B HA   1 c 
ATOM   2982 H HB2  . LYS   B 1 71  ? 17.903 -7.997  -42.991 1   22.366 ? 83  LYS   B HB2  1 c 
ATOM   2983 H HB3  . LYS   B 1 71  ? 18.17  -9.201  -43.989 1   22.162 ? 83  LYS   B HB3  1 c 
ATOM   2984 H HG2  . LYS   B 1 71  ? 17.128 -10.43  -41.912 0   26.3   ? 83  LYS   B HG2  1 c 
ATOM   2985 H HG3  . LYS   B 1 71  ? 16.025 -9.248  -42.839 0   26.3   ? 83  LYS   B HG3  1 c 
ATOM   2986 N N    . GLY   B 1 72  ? 21.394 -7.952  -42.329 1   21.528 ? 84  GLY   B N    1 ? 
ATOM   2987 C CA   . GLY   B 1 72  ? 22.578 -7.381  -42.987 1   20.537 ? 84  GLY   B CA   1 ? 
ATOM   2988 C C    . GLY   B 1 72  ? 22.204 -6.251  -43.956 1   20.421 ? 84  GLY   B C    1 ? 
ATOM   2989 O O    . GLY   B 1 72  ? 22.947 -5.952  -44.855 1   23.728 ? 84  GLY   B O    1 ? 
ATOM   2990 H H    . GLY   B 1 72  ? 21.251 -7.784  -41.442 1   21.277 ? 84  GLY   B H    1 c 
ATOM   2991 H HA2  . GLY   B 1 72  ? 23.19  -7.032  -42.298 1   20.701 ? 84  GLY   B HA2  1 c 
ATOM   2992 H HA3  . GLY   B 1 72  ? 23.049 -8.093  -43.479 1   20.631 ? 84  GLY   B HA3  1 c 
ATOM   2993 N N    . GLN   B 1 73  ? 21.065 -5.573  -43.771 1   20.767 ? 85  GLN   B N    1 ? 
ATOM   2994 C CA   . GLN   B 1 73  ? 20.762 -4.334  -44.495 1   18.461 ? 85  GLN   B CA   1 ? 
ATOM   2995 C C    . GLN   B 1 73  ? 21.582 -3.153  -43.954 1   20.558 ? 85  GLN   B C    1 ? 
ATOM   2996 O O    . GLN   B 1 73  ? 21.674 -2.076  -44.565 1   19.451 ? 85  GLN   B O    1 ? 
ATOM   2997 C CB   . GLN   B 1 73  ? 19.263 -4.031  -44.33  1   19.967 ? 85  GLN   B CB   1 ? 
ATOM   2998 C CG   . GLN   B 1 73  ? 18.394 -5.123  -44.935 1   20.173 ? 85  GLN   B CG   1 ? 
ATOM   2999 C CD   . GLN   B 1 73  ? 16.91  -4.867  -44.819 1   21.173 ? 85  GLN   B CD   1 ? 
ATOM   3000 O OE1  . GLN   B 1 73  ? 16.508 -3.806  -44.366 1   18.224 ? 85  GLN   B OE1  1 ? 
ATOM   3001 N NE2  . GLN   B 1 73  ? 16.099 -5.846  -45.26  1   23.133 ? 85  GLN   B NE2  1 ? 
ATOM   3002 H H    . GLN   B 1 73  ? 20.456 -5.884  -43.165 1   20.494 ? 85  GLN   B H    1 c 
ATOM   3003 H HA   . GLN   B 1 73  ? 20.971 -4.464  -45.455 1   19.288 ? 85  GLN   B HA   1 c 
ATOM   3004 H HB2  . GLN   B 1 73  ? 19.055 -3.942  -43.377 1   19.77  ? 85  GLN   B HB2  1 c 
ATOM   3005 H HB3  . GLN   B 1 73  ? 19.059 -3.176  -44.765 1   19.831 ? 85  GLN   B HB3  1 c 
ATOM   3006 H HG2  . GLN   B 1 73  ? 18.623 -5.228  -45.871 1   20.308 ? 85  GLN   B HG2  1 c 
ATOM   3007 H HG3  . GLN   B 1 73  ? 18.593 -5.973  -44.488 1   20.428 ? 85  GLN   B HG3  1 c 
ATOM   3008 H HE21 . GLN   B 1 73  ? 15.22  -5.722  -45.264 1   22.944 ? 85  GLN   B HE21 1 c 
ATOM   3009 H HE22 . GLN   B 1 73  ? 16.441 -6.612  -45.549 1   22.903 ? 85  GLN   B HE22 1 c 
ATOM   3010 N N    . VAL   B 1 74  ? 22.096 -3.337  -42.727 1   18.185 ? 86  VAL   B N    1 ? 
ATOM   3011 C CA   . VAL   B 1 74  ? 22.928 -2.363  -42.042 1   15.261 ? 86  VAL   B CA   1 ? 
ATOM   3012 C C    . VAL   B 1 74  ? 24.172 -3.083  -41.556 1   15.095 ? 86  VAL   B C    1 ? 
ATOM   3013 O O    . VAL   B 1 74  ? 24.209 -4.324  -41.535 1   14.484 ? 86  VAL   B O    1 ? 
ATOM   3014 C CB   . VAL   B 1 74  ? 22.162 -1.707  -40.88  1   15.085 ? 86  VAL   B CB   1 ? 
ATOM   3015 C CG1  . VAL   B 1 74  ? 21.043 -0.807  -41.378 1   16.576 ? 86  VAL   B CG1  1 ? 
ATOM   3016 C CG2  . VAL   B 1 74  ? 21.633 -2.753  -39.895 1   16.183 ? 86  VAL   B CG2  1 ? 
ATOM   3017 H H    . VAL   B 1 74  ? 21.908 -4.117  -42.291 1   17.831 ? 86  VAL   B H    1 c 
ATOM   3018 H HA   . VAL   B 1 74  ? 23.193 -1.67   -42.677 1   15.629 ? 86  VAL   B HA   1 c 
ATOM   3019 H HB   . VAL   B 1 74  ? 22.805 -1.139  -40.394 1   15.395 ? 86  VAL   B HB   1 c 
ATOM   3020 H HG11 . VAL   B 1 74  ? 20.412 -1.331  -41.9   1   16.316 ? 86  VAL   B HG11 1 c 
ATOM   3021 H HG12 . VAL   B 1 74  ? 21.415 -0.102  -41.935 1   16.359 ? 86  VAL   B HG12 1 c 
ATOM   3022 H HG13 . VAL   B 1 74  ? 20.583 -0.41   -40.619 1   16.338 ? 86  VAL   B HG13 1 c 
ATOM   3023 H HG21 . VAL   B 1 74  ? 21.16  -2.306  -39.173 1   15.974 ? 86  VAL   B HG21 1 c 
ATOM   3024 H HG22 . VAL   B 1 74  ? 22.376 -3.261  -39.528 1   15.907 ? 86  VAL   B HG22 1 c 
ATOM   3025 H HG23 . VAL   B 1 74  ? 21.024 -3.355  -40.353 1   16.016 ? 86  VAL   B HG23 1 c 
ATOM   3026 N N    . ILE   B 1 75  ? 25.157 -2.305  -41.08  1   14.927 ? 87  ILE   B N    1 ? 
ATOM   3027 C CA   . ILE   B 1 75  ? 26.354 -2.888  -40.484 1   14.71  ? 87  ILE   B CA   1 ? 
ATOM   3028 C C    . ILE   B 1 75  ? 26     -3.828  -39.323 1   12.958 ? 87  ILE   B C    1 ? 
ATOM   3029 O O    . ILE   B 1 75  ? 24.957 -3.674  -38.633 1   12.361 ? 87  ILE   B O    1 ? 
ATOM   3030 C CB   . ILE   B 1 75  ? 27.352 -1.816  -40.041 1   14.601 ? 87  ILE   B CB   1 ? 
ATOM   3031 C CG1  . ILE   B 1 75  ? 26.747 -0.811  -39.126 1   16.566 ? 87  ILE   B CG1  1 ? 
ATOM   3032 C CG2  . ILE   B 1 75  ? 28.011 -1.175  -41.262 1   16.565 ? 87  ILE   B CG2  1 ? 
ATOM   3033 C CD1  . ILE   B 1 75  ? 27.782 0.089   -38.47  1   15.655 ? 87  ILE   B CD1  1 ? 
ATOM   3034 H H    . ILE   B 1 75  ? 25.084 -1.396  -41.14  1   14.932 ? 87  ILE   B H    1 c 
ATOM   3035 H HA   . ILE   B 1 75  ? 26.789 -3.424  -41.175 1   14.64  ? 87  ILE   B HA   1 c 
ATOM   3036 H HB   . ILE   B 1 75  ? 28.056 -2.272  -39.538 1   15.167 ? 87  ILE   B HB   1 c 
ATOM   3037 H HG12 . ILE   B 1 75  ? 26.121 -0.255  -39.633 1   16.09  ? 87  ILE   B HG12 1 c 
ATOM   3038 H HG13 . ILE   B 1 75  ? 26.242 -1.276  -38.429 1   16.245 ? 87  ILE   B HG13 1 c 
ATOM   3039 H HG21 . ILE   B 1 75  ? 28.662 -0.514  -40.975 1   16.24  ? 87  ILE   B HG21 1 c 
ATOM   3040 H HG22 . ILE   B 1 75  ? 27.333 -0.744  -41.809 1   16.296 ? 87  ILE   B HG22 1 c 
ATOM   3041 H HG23 . ILE   B 1 75  ? 28.46  -1.86   -41.786 1   16.265 ? 87  ILE   B HG23 1 c 
ATOM   3042 H HD11 . ILE   B 1 75  ? 28.415 -0.456  -37.966 1   15.887 ? 87  ILE   B HD11 1 c 
ATOM   3043 H HD12 . ILE   B 1 75  ? 27.333 0.708   -37.863 1   15.875 ? 87  ILE   B HD12 1 c 
ATOM   3044 H HD13 . ILE   B 1 75  ? 28.263 0.598   -39.15  1   15.761 ? 87  ILE   B HD13 1 c 
ATOM   3045 N N    . LYS   B 1 76  ? 26.902 -4.793  -39.074 1   14.779 ? 88  LYS   B N    1 ? 
ATOM   3046 C CA   . LYS   B 1 76  ? 26.7   -5.823  -38.064 1   14.974 ? 88  LYS   B CA   1 ? 
ATOM   3047 C C    . LYS   B 1 76  ? 26.4   -5.16   -36.727 1   14.27  ? 88  LYS   B C    1 ? 
ATOM   3048 O O    . LYS   B 1 76  ? 25.552 -5.607  -35.998 1   15.623 ? 88  LYS   B O    1 ? 
ATOM   3049 C CB   . LYS   B 1 76  ? 27.882 -6.809  -38.02  1   17.933 ? 88  LYS   B CB   1 ? 
ATOM   3050 C CG   . LYS   B 1 76  ? 27.549 -8.037  -37.136 1   23.488 ? 88  LYS   B CG   1 ? 
ATOM   3051 H H    . LYS   B 1 76  ? 27.678 -4.805  -39.557 1   14.437 ? 88  LYS   B H    1 c 
ATOM   3052 H HA   . LYS   B 1 76  ? 25.897 -6.34   -38.327 1   15.123 ? 88  LYS   B HA   1 c 
ATOM   3053 H HB2  . LYS   B 1 76  ? 28.092 -7.113  -38.928 1   17.913 ? 88  LYS   B HB2  1 c 
ATOM   3054 H HB3  . LYS   B 1 76  ? 28.674 -6.357  -37.657 1   17.769 ? 88  LYS   B HB3  1 c 
ATOM   3055 H HG2  . LYS   B 1 76  ? 28.409 -8.432  -36.84  0   24.31  ? 88  LYS   B HG2  1 c 
ATOM   3056 H HG3  . LYS   B 1 76  ? 26.587 -8.113  -37.07  0   24.31  ? 88  LYS   B HG3  1 c 
ATOM   3057 N N    . ALA   B 1 77  ? 27.112 -4.1    -36.368 1   12.646 ? 89  ALA   B N    1 ? 
ATOM   3058 C CA   . ALA   B 1 77  ? 26.906 -3.433  -35.077 1   12.698 ? 89  ALA   B CA   1 ? 
ATOM   3059 C C    . ALA   B 1 77  ? 25.467 -2.967  -34.847 1   12.25  ? 89  ALA   B C    1 ? 
ATOM   3060 O O    . ALA   B 1 77  ? 25.011 -2.921  -33.701 1   11.845 ? 89  ALA   B O    1 ? 
ATOM   3061 C CB   . ALA   B 1 77  ? 27.877 -2.291  -34.977 1   14.361 ? 89  ALA   B CB   1 ? 
ATOM   3062 H H    . ALA   B 1 77  ? 27.749 -3.775  -36.936 1   12.734 ? 89  ALA   B H    1 c 
ATOM   3063 H HA   . ALA   B 1 77  ? 27.124 -4.093  -34.362 1   12.844 ? 89  ALA   B HA   1 c 
ATOM   3064 H HB1  . ALA   B 1 77  ? 28.787 -2.629  -35.026 1   14.033 ? 89  ALA   B HB1  1 c 
ATOM   3065 H HB2  . ALA   B 1 77  ? 27.726 -1.67   -35.709 1   14.082 ? 89  ALA   B HB2  1 c 
ATOM   3066 H HB3  . ALA   B 1 77  ? 27.751 -1.828  -34.132 1   13.994 ? 89  ALA   B HB3  1 c 
ATOM   3067 N N    . TRP   B 1 78  ? 24.803 -2.529  -35.913 1   10.889 ? 90  TRP   B N    1 ? 
ATOM   3068 C CA   . TRP   B 1 78  ? 23.41  -2.114  -35.802 1   11.226 ? 90  TRP   B CA   1 ? 
ATOM   3069 C C    . TRP   B 1 78  ? 22.53  -3.328  -35.599 1   10.447 ? 90  TRP   B C    1 ? 
ATOM   3070 O O    . TRP   B 1 78  ? 21.578 -3.249  -34.827 1   11.535 ? 90  TRP   B O    1 ? 
ATOM   3071 C CB   . TRP   B 1 78  ? 22.949 -1.279  -37.006 1   11.356 ? 90  TRP   B CB   1 ? 
ATOM   3072 C CG   . TRP   B 1 78  ? 23.177 0.191   -36.843 1   11.382 ? 90  TRP   B CG   1 ? 
ATOM   3073 C CD1  . TRP   B 1 78  ? 24.296 0.854   -36.475 1   10.451 ? 90  TRP   B CD1  1 ? 
ATOM   3074 C CD2  . TRP   B 1 78  ? 22.166 1.201   -37.045 1   10.274 ? 90  TRP   B CD2  1 ? 
ATOM   3075 N NE1  . TRP   B 1 78  ? 24.068 2.198   -36.387 1   10.697 ? 90  TRP   B NE1  1 ? 
ATOM   3076 C CE2  . TRP   B 1 78  ? 22.758 2.455   -36.764 1   10.452 ? 90  TRP   B CE2  1 ? 
ATOM   3077 C CE3  . TRP   B 1 78  ? 20.831 1.149   -37.458 1   11.465 ? 90  TRP   B CE3  1 ? 
ATOM   3078 C CZ2  . TRP   B 1 78  ? 22.063 3.646   -36.926 1   11.344 ? 90  TRP   B CZ2  1 ? 
ATOM   3079 C CZ3  . TRP   B 1 78  ? 20.161 2.341   -37.632 1   12.008 ? 90  TRP   B CZ3  1 ? 
ATOM   3080 C CH2  . TRP   B 1 78  ? 20.764 3.579   -37.378 1   12.27  ? 90  TRP   B CH2  1 ? 
ATOM   3081 H H    . TRP   B 1 78  ? 25.22  -2.481  -36.724 1   11.192 ? 90  TRP   B H    1 c 
ATOM   3082 H HA   . TRP   B 1 78  ? 23.329 -1.541  -34.993 1   11.113 ? 90  TRP   B HA   1 c 
ATOM   3083 H HB2  . TRP   B 1 78  ? 23.427 -1.589  -37.804 1   11.328 ? 90  TRP   B HB2  1 c 
ATOM   3084 H HB3  . TRP   B 1 78  ? 21.991 -1.438  -37.148 1   11.427 ? 90  TRP   B HB3  1 c 
ATOM   3085 H HD1  . TRP   B 1 78  ? 25.114 0.44    -36.246 1   10.719 ? 90  TRP   B HD1  1 c 
ATOM   3086 H HE1  . TRP   B 1 78  ? 24.662 2.797   -36.182 1   10.662 ? 90  TRP   B HE1  1 c 
ATOM   3087 H HE3  . TRP   B 1 78  ? 20.42  0.327   -37.663 1   11.412 ? 90  TRP   B HE3  1 c 
ATOM   3088 H HZ2  . TRP   B 1 78  ? 22.473 4.475   -36.743 1   11.387 ? 90  TRP   B HZ2  1 c 
ATOM   3089 H HZ3  . TRP   B 1 78  ? 19.261 2.322   -37.914 1   11.965 ? 90  TRP   B HZ3  1 c 
ATOM   3090 H HH2  . TRP   B 1 78  ? 20.261 4.369   -37.465 1   12.119 ? 90  TRP   B HH2  1 c 
ATOM   3091 N N    . ASP   B 1 79  ? 22.729 -4.436  -36.328 1   11.343 ? 91  ASP   B N    1 ? 
ATOM   3092 C CA   . ASP   B 1 79  ? 21.943 -5.631  -36.12  1   12.858 ? 91  ASP   B CA   1 ? 
ATOM   3093 C C    . ASP   B 1 79  ? 22.098 -6.101  -34.673 1   13.26  ? 91  ASP   B C    1 ? 
ATOM   3094 O O    . ASP   B 1 79  ? 21.079 -6.423  -34.02  1   15     ? 91  ASP   B O    1 ? 
ATOM   3095 C CB   . ASP   B 1 79  ? 22.267 -6.689  -37.157 1   14.751 ? 91  ASP   B CB   1 ? 
ATOM   3096 C CG   . ASP   B 1 79  ? 21.585 -6.532  -38.505 1   15.268 ? 91  ASP   B CG   1 ? 
ATOM   3097 O OD1  . ASP   B 1 79  ? 20.569 -5.793  -38.589 1   17.462 ? 91  ASP   B OD1  1 ? 
ATOM   3098 O OD2  . ASP   B 1 79  ? 22.049 -7.218  -39.457 1   16.843 ? 91  ASP   B OD2  1 ? 
ATOM   3099 H H    . ASP   B 1 79  ? 23.374 -4.438  -36.976 1   11.379 ? 91  ASP   B H    1 c 
ATOM   3100 H HA   . ASP   B 1 79  ? 20.999 -5.391  -36.252 1   12.812 ? 91  ASP   B HA   1 c 
ATOM   3101 H HB2  . ASP   B 1 79  ? 23.235 -6.695  -37.307 1   14.548 ? 91  ASP   B HB2  1 c 
ATOM   3102 H HB3  . ASP   B 1 79  ? 22.017 -7.565  -36.796 1   14.495 ? 91  ASP   B HB3  1 c 
ATOM   3103 N N    . ILE   B 1 80  ? 23.32  -6.077  -34.124 1   13.746 ? 92  ILE   B N    1 ? 
ATOM   3104 C CA   . ILE   B 1 80  ? 23.581 -6.445  -32.737 1   14.116 ? 92  ILE   B CA   1 ? 
ATOM   3105 C C    . ILE   B 1 80  ? 22.972 -5.426  -31.776 1   12.153 ? 92  ILE   B C    1 ? 
ATOM   3106 O O    . ILE   B 1 80  ? 22.259 -5.78   -30.831 1   14.002 ? 92  ILE   B O    1 ? 
ATOM   3107 C CB   . ILE   B 1 80  ? 25.1   -6.549  -32.504 1   16.82  ? 92  ILE   B CB   1 ? 
ATOM   3108 C CG1  . ILE   B 1 80  ? 25.657 -7.734  -33.301 1   17.979 ? 92  ILE   B CG1  1 ? 
ATOM   3109 C CG2  . ILE   B 1 80  ? 25.432 -6.621  -31.01  1   18.5   ? 92  ILE   B CG2  1 ? 
ATOM   3110 C CD1  . ILE   B 1 80  ? 27.169 -7.694  -33.533 1   19.948 ? 92  ILE   B CD1  1 ? 
ATOM   3111 H H    . ILE   B 1 80  ? 24.026 -5.816  -34.642 1   13.883 ? 92  ILE   B H    1 c 
ATOM   3112 H HA   . ILE   B 1 80  ? 23.179 -7.319  -32.566 1   14.008 ? 92  ILE   B HA   1 c 
ATOM   3113 H HB   . ILE   B 1 80  ? 25.51  -5.736  -32.861 1   16.81  ? 92  ILE   B HB   1 c 
ATOM   3114 H HG12 . ILE   B 1 80  ? 25.436 -8.56   -32.824 1   18.098 ? 92  ILE   B HG12 1 c 
ATOM   3115 H HG13 . ILE   B 1 80  ? 25.21  -7.766  -34.171 1   18.016 ? 92  ILE   B HG13 1 c 
ATOM   3116 H HG21 . ILE   B 1 80  ? 26.39  -6.735  -30.895 1   18.109 ? 92  ILE   B HG21 1 c 
ATOM   3117 H HG22 . ILE   B 1 80  ? 24.968 -7.376  -30.61  1   18.156 ? 92  ILE   B HG22 1 c 
ATOM   3118 H HG23 . ILE   B 1 80  ? 25.152 -5.801  -30.571 1   18.213 ? 92  ILE   B HG23 1 c 
ATOM   3119 H HD11 . ILE   B 1 80  ? 27.403 -6.886  -34.027 1   19.644 ? 92  ILE   B HD11 1 c 
ATOM   3120 H HD12 . ILE   B 1 80  ? 27.44  -8.478  -34.047 1   19.625 ? 92  ILE   B HD12 1 c 
ATOM   3121 H HD13 . ILE   B 1 80  ? 27.632 -7.694  -32.674 1   19.593 ? 92  ILE   B HD13 1 c 
ATOM   3122 N N    . GLY   B 1 81  ? 23.229 -4.15   -31.996 1   12.03  ? 93  GLY   B N    1 ? 
ATOM   3123 C CA   . GLY   B 1 81  ? 22.879 -3.091  -31.046 1   12.524 ? 93  GLY   B CA   1 ? 
ATOM   3124 C C    . GLY   B 1 81  ? 21.406 -2.746  -31.006 1   11.352 ? 93  GLY   B C    1 ? 
ATOM   3125 O O    . GLY   B 1 81  ? 20.806 -2.655  -29.91  1   10.764 ? 93  GLY   B O    1 ? 
ATOM   3126 H H    . GLY   B 1 81  ? 23.645 -3.913  -32.775 1   12.242 ? 93  GLY   B H    1 c 
ATOM   3127 H HA2  . GLY   B 1 81  ? 23.165 -3.371  -30.146 1   12.257 ? 93  GLY   B HA2  1 c 
ATOM   3128 H HA3  . GLY   B 1 81  ? 23.389 -2.28   -31.281 1   12.175 ? 93  GLY   B HA3  1 c 
ATOM   3129 N N    . VAL   B 1 82  ? 20.789 -2.577  -32.163 1   10.384 ? 94  VAL   B N    1 ? 
ATOM   3130 C CA   . VAL   B 1 82  ? 19.369 -2.227  -32.164 1   11.807 ? 94  VAL   B CA   1 ? 
ATOM   3131 C C    . VAL   B 1 82  ? 18.57  -3.398  -31.612 1   11.689 ? 94  VAL   B C    1 ? 
ATOM   3132 O O    . VAL   B 1 82  ? 17.587 -3.143  -30.909 1   11.79  ? 94  VAL   B O    1 ? 
ATOM   3133 C CB   . VAL   B 1 82  ? 18.91  -1.772  -33.558 1   13.472 ? 94  VAL   B CB   1 ? 
ATOM   3134 C CG1  . VAL   B 1 82  ? 17.402 -1.521  -33.552 1   15.751 ? 94  VAL   B CG1  1 ? 
ATOM   3135 C CG2  . VAL   B 1 82  ? 19.677 -0.506  -33.976 1   13.675 ? 94  VAL   B CG2  1 ? 
ATOM   3136 H H    . VAL   B 1 82  ? 21.236 -2.677  -32.954 1   10.45  ? 94  VAL   B H    1 c 
ATOM   3137 H HA   . VAL   B 1 82  ? 19.251 -1.472  -31.554 1   11.728 ? 94  VAL   B HA   1 c 
ATOM   3138 H HB   . VAL   B 1 82  ? 19.112 -2.497  -34.194 1   13.398 ? 94  VAL   B HB   1 c 
ATOM   3139 H HG11 . VAL   B 1 82  ? 17.185 -0.861  -32.873 1   15.343 ? 94  VAL   B HG11 1 c 
ATOM   3140 H HG12 . VAL   B 1 82  ? 16.933 -2.35   -33.359 1   15.261 ? 94  VAL   B HG12 1 c 
ATOM   3141 H HG13 . VAL   B 1 82  ? 17.126 -1.191  -34.424 1   15.239 ? 94  VAL   B HG13 1 c 
ATOM   3142 H HG21 . VAL   B 1 82  ? 19.37  -0.216  -34.851 1   13.642 ? 94  VAL   B HG21 1 c 
ATOM   3143 H HG22 . VAL   B 1 82  ? 20.628 -0.699  -34.015 1   13.656 ? 94  VAL   B HG22 1 c 
ATOM   3144 H HG23 . VAL   B 1 82  ? 19.517 0.2     -33.327 1   13.579 ? 94  VAL   B HG23 1 c 
ATOM   3145 N N    . ALA   B 1 83  ? 19.038 -4.636  -31.755 1   12.879 ? 95  ALA   B N    1 ? 
ATOM   3146 C CA   . ALA   B 1 83  ? 18.351 -5.787  -31.195 1   13.368 ? 95  ALA   B CA   1 ? 
ATOM   3147 C C    . ALA   B 1 83  ? 18.25  -5.68   -29.672 1   12.971 ? 95  ALA   B C    1 ? 
ATOM   3148 O O    . ALA   B 1 83  ? 17.369 -6.313  -29.089 1   15.727 ? 95  ALA   B O    1 ? 
ATOM   3149 C CB   . ALA   B 1 83  ? 19.053 -7.092  -31.579 1   14.963 ? 95  ALA   B CB   1 ? 
ATOM   3150 H H    . ALA   B 1 83  ? 19.809 -4.772  -32.227 1   12.721 ? 95  ALA   B H    1 c 
ATOM   3151 H HA   . ALA   B 1 83  ? 17.425 -5.8    -31.563 1   13.417 ? 95  ALA   B HA   1 c 
ATOM   3152 H HB1  . ALA   B 1 83  ? 19.059 -7.187  -32.546 1   14.698 ? 95  ALA   B HB1  1 c 
ATOM   3153 H HB2  . ALA   B 1 83  ? 19.968 -7.08   -31.252 1   14.649 ? 95  ALA   B HB2  1 c 
ATOM   3154 H HB3  . ALA   B 1 83  ? 18.581 -7.845  -31.186 1   14.627 ? 95  ALA   B HB3  1 c 
ATOM   3155 N N    . THR   B 1 84  ? 19.144 -4.939  -29.021 1   11.97  ? 96  THR   B N    1 ? 
ATOM   3156 C CA   . THR   B 1 84  ? 19.15  -4.84   -27.555 1   12.658 ? 96  THR   B CA   1 ? 
ATOM   3157 C C    . THR   B 1 84  ? 18.238 -3.737  -27.031 1   14.087 ? 96  THR   B C    1 ? 
ATOM   3158 O O    . THR   B 1 84  ? 18.097 -3.64   -25.813 1   14.755 ? 96  THR   B O    1 ? 
ATOM   3159 C CB   . THR   B 1 84  ? 20.557 -4.597  -27.013 1   15.197 ? 96  THR   B CB   1 ? 
ATOM   3160 O OG1  . THR   B 1 84  ? 21.022 -3.289  -27.368 1   13.944 ? 96  THR   B OG1  1 ? 
ATOM   3161 C CG2  . THR   B 1 84  ? 21.561 -5.626  -27.502 1   14.871 ? 96  THR   B CG2  1 ? 
ATOM   3162 H H    . THR   B 1 84  ? 19.783 -4.487  -29.492 1   12.042 ? 96  THR   B H    1 c 
ATOM   3163 H HA   . THR   B 1 84  ? 18.833 -5.696  -27.194 1   12.994 ? 96  THR   B HA   1 c 
ATOM   3164 H HB   . THR   B 1 84  ? 20.525 -4.661  -26.029 1   14.599 ? 96  THR   B HB   1 c 
ATOM   3165 H HG1  . THR   B 1 84  ? 21.03  -3.211  -28.225 0   14.29  ? 96  THR   B HG1  1 c 
ATOM   3166 H HG21 . THR   B 1 84  ? 22.434 -5.435  -27.121 1   14.974 ? 96  THR   B HG21 1 c 
ATOM   3167 H HG22 . THR   B 1 84  ? 21.617 -5.591  -28.47  1   14.972 ? 96  THR   B HG22 1 c 
ATOM   3168 H HG23 . THR   B 1 84  ? 21.275 -6.514  -27.227 1   14.902 ? 96  THR   B HG23 1 c 
ATOM   3169 N N    . MET   B 1 85  ? 17.625 -2.934  -27.902 1   12.825 ? 97  MET   B N    1 ? 
ATOM   3170 C CA   . MET   B 1 85  ? 16.957 -1.716  -27.501 1   13.251 ? 97  MET   B CA   1 ? 
ATOM   3171 C C    . MET   B 1 85  ? 15.462 -1.909  -27.323 1   13.252 ? 97  MET   B C    1 ? 
ATOM   3172 O O    . MET   B 1 85  ? 14.832 -2.667  -28.036 1   13.503 ? 97  MET   B O    1 ? 
ATOM   3173 C CB   . MET   B 1 85  ? 17.186 -0.677  -28.597 1   12.959 ? 97  MET   B CB   1 ? 
ATOM   3174 C CG   . MET   B 1 85  ? 18.64  -0.221  -28.64  1   12.651 ? 97  MET   B CG   1 ? 
ATOM   3175 S SD   . MET   B 1 85  ? 18.996 1.075   -29.85  1   12.634 ? 97  MET   B SD   1 ? 
ATOM   3176 C CE   . MET   B 1 85  ? 18.196 2.463   -29.048 1   13.891 ? 97  MET   B CE   1 ? 
ATOM   3177 H H    . MET   B 1 85  ? 17.621 -3.16   -28.787 1   13.087 ? 97  MET   B H    1 c 
ATOM   3178 H HA   . MET   B 1 85  ? 17.353 -1.399  -26.651 1   13.139 ? 97  MET   B HA   1 c 
ATOM   3179 H HB2  . MET   B 1 85  ? 16.939 -1.063  -29.464 1   12.984 ? 97  MET   B HB2  1 c 
ATOM   3180 H HB3  . MET   B 1 85  ? 16.607 0.096   -28.431 1   12.941 ? 97  MET   B HB3  1 c 
ATOM   3181 H HG2  . MET   B 1 85  ? 18.895 0.107   -27.757 1   12.613 ? 97  MET   B HG2  1 c 
ATOM   3182 H HG3  . MET   B 1 85  ? 19.206 -0.991  -28.842 1   12.671 ? 97  MET   B HG3  1 c 
ATOM   3183 H HE1  . MET   B 1 85  ? 18.293 3.258   -29.604 1   13.718 ? 97  MET   B HE1  1 c 
ATOM   3184 H HE2  . MET   B 1 85  ? 17.249 2.267   -28.926 1   13.803 ? 97  MET   B HE2  1 c 
ATOM   3185 H HE3  . MET   B 1 85  ? 18.611 2.62    -28.179 1   13.597 ? 97  MET   B HE3  1 c 
ATOM   3186 N N    . LYS   B 1 86  ? 14.921 -1.149  -26.368 1   13.738 ? 98  LYS   B N    1 ? 
ATOM   3187 C CA   . LYS   B 1 86  ? 13.487 -1.074  -26.151 1   14.45  ? 98  LYS   B CA   1 ? 
ATOM   3188 C C    . LYS   B 1 86  ? 12.892 0.114   -26.924 1   14.264 ? 98  LYS   B C    1 ? 
ATOM   3189 O O    . LYS   B 1 86  ? 13.589 1.074   -27.263 1   14.191 ? 98  LYS   B O    1 ? 
ATOM   3190 C CB   . LYS   B 1 86  ? 13.223 -0.914  -24.644 1   17.317 ? 98  LYS   B CB   1 ? 
ATOM   3191 C CG   . LYS   B 1 86  ? 13.634 -2.123  -23.772 1   20.99  ? 98  LYS   B CG   1 ? 
ATOM   3192 C CD   . LYS   B 1 86  ? 13.363 -1.891  -22.277 1   23.568 ? 98  LYS   B CD   1 ? 
ATOM   3193 C CE   . LYS   B 1 86  ? 13.707 -3.092  -21.456 1   27.531 ? 98  LYS   B CE   1 ? 
ATOM   3194 N NZ   . LYS   B 1 86  ? 15.169 -3.257  -21.507 1   29.06  ? 98  LYS   B NZ   1 ? 
ATOM   3195 H H    . LYS   B 1 86  ? 15.469 -0.654  -25.829 1   13.832 ? 98  LYS   B H    1 c 
ATOM   3196 H HA   . LYS   B 1 86  ? 13.069 -1.913  -26.472 1   14.516 ? 98  LYS   B HA   1 c 
ATOM   3197 H HB2  . LYS   B 1 86  ? 13.707 -0.124  -24.324 1   17.088 ? 98  LYS   B HB2  1 c 
ATOM   3198 H HB3  . LYS   B 1 86  ? 12.265 -0.75   -24.511 1   17.222 ? 98  LYS   B HB3  1 c 
ATOM   3199 H HG2  . LYS   B 1 86  ? 13.137 -2.915  -24.072 1   20.651 ? 98  LYS   B HG2  1 c 
ATOM   3200 H HG3  . LYS   B 1 86  ? 14.591 -2.295  -23.906 1   20.57  ? 98  LYS   B HG3  1 c 
ATOM   3201 H HD2  . LYS   B 1 86  ? 13.894 -1.125  -21.968 1   23.56  ? 98  LYS   B HD2  1 c 
ATOM   3202 H HD3  . LYS   B 1 86  ? 12.415 -1.674  -22.153 1   23.943 ? 98  LYS   B HD3  1 c 
ATOM   3203 H HE2  . LYS   B 1 86  ? 13.421 -2.97   -20.533 1   27.4   ? 98  LYS   B HE2  1 c 
ATOM   3204 H HE3  . LYS   B 1 86  ? 13.277 -3.886  -21.82  1   26.931 ? 98  LYS   B HE3  1 c 
ATOM   3205 H HZ1  . LYS   B 1 86  ? 15.579 -2.498  -21.23  1   28.695 ? 98  LYS   B HZ1  1 c 
ATOM   3206 H HZ2  . LYS   B 1 86  ? 15.437 -3.453  -22.349 1   28.453 ? 98  LYS   B HZ2  1 c 
ATOM   3207 H HZ3  . LYS   B 1 86  ? 15.412 -3.938  -20.961 1   28.773 ? 98  LYS   B HZ3  1 c 
ATOM   3208 N N    A LYS   B 1 87  ? 11.565 0.081   -27.12  0.5 15.505 ? 99  LYS   B N    1 ? 
ATOM   3209 N N    B LYS   B 1 87  ? 11.558 0.08    -27.112 0.5 15.548 ? 99  LYS   B N    1 ? 
ATOM   3210 C CA   A LYS   B 1 87  ? 10.868 1.204   -27.727 0.5 15.628 ? 99  LYS   B CA   1 ? 
ATOM   3211 C CA   B LYS   B 1 87  ? 10.854 1.205   -27.71  0.5 15.685 ? 99  LYS   B CA   1 ? 
ATOM   3212 C C    A LYS   B 1 87  ? 11.088 2.442   -26.856 0.5 15.687 ? 99  LYS   B C    1 ? 
ATOM   3213 C C    B LYS   B 1 87  ? 11.096 2.442   -26.848 0.5 15.713 ? 99  LYS   B C    1 ? 
ATOM   3214 O O    A LYS   B 1 87  ? 10.827 2.422   -25.64  0.5 18.865 ? 99  LYS   B O    1 ? 
ATOM   3215 O O    B LYS   B 1 87  ? 10.829 2.43    -25.633 0.5 18.82  ? 99  LYS   B O    1 ? 
ATOM   3216 C CB   A LYS   B 1 87  ? 9.379  0.872   -27.921 0.5 17.097 ? 99  LYS   B CB   1 ? 
ATOM   3217 C CB   B LYS   B 1 87  ? 9.347  0.941   -27.884 0.5 17.294 ? 99  LYS   B CB   1 ? 
ATOM   3218 C CG   A LYS   B 1 87  ? 8.579  1.92    -28.677 0.5 19.059 ? 99  LYS   B CG   1 ? 
ATOM   3219 C CG   B LYS   B 1 87  ? 9.003  0.029   -29.041 0.5 19.345 ? 99  LYS   B CG   1 ? 
ATOM   3220 C CD   A LYS   B 1 87  ? 7.164  1.489   -29.044 0.5 22.357 ? 99  LYS   B CD   1 ? 
ATOM   3221 C CD   B LYS   B 1 87  ? 7.531  -0.208  -29.348 0.5 19.73  ? 99  LYS   B CD   1 ? 
ATOM   3222 C CE   A LYS   B 1 87  ? 6.413  2.586   -29.752 0.5 23.57  ? 99  LYS   B CE   1 ? 
ATOM   3223 C CE   B LYS   B 1 87  ? 7.352  -1.531  -30.063 0.5 20.519 ? 99  LYS   B CE   1 ? 
ATOM   3224 N NZ   A LYS   B 1 87  ? 5.04   2.187   -30.047 0.5 27.521 ? 99  LYS   B NZ   1 ? 
ATOM   3225 N NZ   B LYS   B 1 87  ? 5.964  -1.759  -30.454 0.5 19.763 ? 99  LYS   B NZ   1 ? 
ATOM   3226 H H    A LYS   B 1 87  ? 11.087 -0.658  -26.871 0.5 15.387 ? 99  LYS   B H    1 c 
ATOM   3227 H H    B LYS   B 1 87  ? 11.083 -0.659  -26.86  0.5 15.423 ? 99  LYS   B H    1 c 
ATOM   3228 H HA   A LYS   B 1 87  ? 11.271 1.371   -28.618 0.5 15.75  ? 99  LYS   B HA   1 c 
ATOM   3229 H HA   B LYS   B 1 87  ? 11.245 1.368   -28.606 0.5 15.821 ? 99  LYS   B HA   1 c 
ATOM   3230 H HB2  A LYS   B 1 87  ? 9.308  0.02    -28.403 0.5 17.146 ? 99  LYS   B HB2  1 c 
ATOM   3231 H HB2  B LYS   B 1 87  ? 9.001  0.538   -27.059 0.5 17.503 ? 99  LYS   B HB2  1 c 
ATOM   3232 H HB3  A LYS   B 1 87  ? 8.969  0.748   -27.038 0.5 17.222 ? 99  LYS   B HB3  1 c 
ATOM   3233 H HB3  B LYS   B 1 87  ? 8.888  1.798   -28.013 0.5 17.457 ? 99  LYS   B HB3  1 c 
ATOM   3234 H HG2  A LYS   B 1 87  ? 8.531  2.732   -28.126 0.5 19.209 ? 99  LYS   B HG2  1 c 
ATOM   3235 H HG2  B LYS   B 1 87  ? 9.425  0.401   -29.847 0.5 19.231 ? 99  LYS   B HG2  1 c 
ATOM   3236 H HG3  A LYS   B 1 87  ? 9.065  2.146   -29.499 0.5 19.195 ? 99  LYS   B HG3  1 c 
ATOM   3237 H HG3  B LYS   B 1 87  ? 9.426  -0.838  -28.873 0.5 19.299 ? 99  LYS   B HG3  1 c 
ATOM   3238 H HD2  A LYS   B 1 87  ? 7.207  0.7     -29.627 0.5 22.093 ? 99  LYS   B HD2  1 c 
ATOM   3239 H HD2  B LYS   B 1 87  ? 7.019  -0.217  -28.51  0.5 19.956 ? 99  LYS   B HD2  1 c 
ATOM   3240 H HD3  A LYS   B 1 87  ? 6.679  1.24    -28.227 0.5 22.127 ? 99  LYS   B HD3  1 c 
ATOM   3241 H HD3  B LYS   B 1 87  ? 7.191  0.518   -29.915 0.5 20.063 ? 99  LYS   B HD3  1 c 
ATOM   3242 H HE2  A LYS   B 1 87  ? 6.399  3.383   -29.192 0.5 24.171 ? 99  LYS   B HE2  1 c 
ATOM   3243 H HE2  B LYS   B 1 87  ? 7.92   -1.558  -30.852 0.5 20.522 ? 99  LYS   B HE2  1 c 
ATOM   3244 H HE3  A LYS   B 1 87  ? 6.863  2.805   -30.586 0.5 24.106 ? 99  LYS   B HE3  1 c 
ATOM   3245 H HE3  B LYS   B 1 87  ? 7.629  -2.249  -29.466 0.5 20.614 ? 99  LYS   B HE3  1 c 
ATOM   3246 H HZ1  A LYS   B 1 87  ? 4.609  1.987   -29.275 0.5 27.019 ? 99  LYS   B HZ1  1 c 
ATOM   3247 H HZ1  B LYS   B 1 87  ? 5.713  -1.134  -31.06  0.5 20.275 ? 99  LYS   B HZ1  1 c 
ATOM   3248 H HZ2  A LYS   B 1 87  ? 5.042  1.457   -30.584 0.5 26.901 ? 99  LYS   B HZ2  1 c 
ATOM   3249 H HZ2  B LYS   B 1 87  ? 5.425  -1.704  -29.729 0.5 19.958 ? 99  LYS   B HZ2  1 c 
ATOM   3250 H HZ3  A LYS   B 1 87  ? 4.606  2.863   -30.464 0.5 27.071 ? 99  LYS   B HZ3  1 c 
ATOM   3251 H HZ3  B LYS   B 1 87  ? 5.883  -2.581  -30.825 0.5 20.146 ? 99  LYS   B HZ3  1 c 
ATOM   3252 N N    . GLY   B 1 88  ? 11.506 3.53    -27.496 1   14.863 ? 100 GLY   B N    1 ? 
ATOM   3253 C CA   . GLY   B 1 88  ? 11.725 4.79    -26.808 1   15.449 ? 100 GLY   B CA   1 ? 
ATOM   3254 C C    . GLY   B 1 88  ? 13.134 4.966   -26.248 1   14.472 ? 100 GLY   B C    1 ? 
ATOM   3255 O O    . GLY   B 1 88  ? 13.508 6.07    -25.822 1   15.126 ? 100 GLY   B O    1 ? 
ATOM   3256 H H    A GLY   B 1 88  ? 11.661 3.488   -28.396 0.5 15.09  ? 100 GLY   B H    1 c 
ATOM   3257 H H    B GLY   B 1 88  ? 11.654 3.487   -28.397 0.5 15.101 ? 100 GLY   B H    1 c 
ATOM   3258 H HA2  . GLY   B 1 88  ? 11.542 5.523   -27.44  1   15.19  ? 100 GLY   B HA2  1 c 
ATOM   3259 H HA3  . GLY   B 1 88  ? 11.075 4.868   -26.071 1   15.225 ? 100 GLY   B HA3  1 c 
ATOM   3260 N N    . GLU   B 1 89  ? 13.946 3.902   -26.301 1   14.436 ? 101 GLU   B N    1 ? 
ATOM   3261 C CA   . GLU   B 1 89  ? 15.309 3.97    -25.824 1   14.171 ? 101 GLU   B CA   1 ? 
ATOM   3262 C C    . GLU   B 1 89  ? 16.167 4.841   -26.743 1   14.642 ? 101 GLU   B C    1 ? 
ATOM   3263 O O    . GLU   B 1 89  ? 16.01  4.81    -27.964 1   12.976 ? 101 GLU   B O    1 ? 
ATOM   3264 C CB   . GLU   B 1 89  ? 15.84  2.536   -25.739 1   13.856 ? 101 GLU   B CB   1 ? 
ATOM   3265 C CG   . GLU   B 1 89  ? 17.25  2.44    -25.157 1   14.247 ? 101 GLU   B CG   1 ? 
ATOM   3266 C CD   . GLU   B 1 89  ? 17.717 1.013   -25.058 1   15.531 ? 101 GLU   B CD   1 ? 
ATOM   3267 O OE1  . GLU   B 1 89  ? 16.92  0.142   -24.641 1   15.939 ? 101 GLU   B OE1  1 ? 
ATOM   3268 O OE2  . GLU   B 1 89  ? 18.876 0.793   -25.405 1   15.89  ? 101 GLU   B OE2  1 ? 
ATOM   3269 H H    . GLU   B 1 89  ? 13.644 3.116   -26.653 1   14.385 ? 101 GLU   B H    1 c 
ATOM   3270 H HA   . GLU   B 1 89  ? 15.302 4.366   -24.918 1   14.238 ? 101 GLU   B HA   1 c 
ATOM   3271 H HB2  . GLU   B 1 89  ? 15.227 2.006   -25.188 1   14.044 ? 101 GLU   B HB2  1 c 
ATOM   3272 H HB3  . GLU   B 1 89  ? 15.846 2.148   -26.638 1   13.886 ? 101 GLU   B HB3  1 c 
ATOM   3273 H HG2  . GLU   B 1 89  ? 17.874 2.941   -25.724 1   14.264 ? 101 GLU   B HG2  1 c 
ATOM   3274 H HG3  . GLU   B 1 89  ? 17.261 2.84    -24.262 1   14.357 ? 101 GLU   B HG3  1 c 
ATOM   3275 N N    . ILE   B 1 90  ? 17.104 5.587   -26.114 1   13.587 ? 102 ILE   B N    1 ? 
ATOM   3276 C CA   . ILE   B 1 90  ? 18.189 6.202   -26.844 1   14.497 ? 102 ILE   B CA   1 ? 
ATOM   3277 C C    . ILE   B 1 90  ? 19.49  5.624   -26.314 1   14.089 ? 102 ILE   B C    1 ? 
ATOM   3278 O O    . ILE   B 1 90  ? 19.709 5.55    -25.104 1   16.019 ? 102 ILE   B O    1 ? 
ATOM   3279 C CB   . ILE   B 1 90  ? 18.163 7.737   -26.702 1   14.913 ? 102 ILE   B CB   1 ? 
ATOM   3280 C CG1  . ILE   B 1 90  ? 16.854 8.315   -27.176 1   16.965 ? 102 ILE   B CG1  1 ? 
ATOM   3281 C CG2  . ILE   B 1 90  ? 19.341 8.309   -27.466 1   14.822 ? 102 ILE   B CG2  1 ? 
ATOM   3282 C CD1  . ILE   B 1 90  ? 16.745 9.811   -26.99  1   18.48  ? 102 ILE   B CD1  1 ? 
ATOM   3283 H H    . ILE   B 1 90  ? 17.054 5.71    -25.209 1   13.853 ? 102 ILE   B H    1 c 
ATOM   3284 H HA   . ILE   B 1 90  ? 18.101 5.975   -27.786 1   14.398 ? 102 ILE   B HA   1 c 
ATOM   3285 H HB   . ILE   B 1 90  ? 18.271 7.959   -25.756 1   15.139 ? 102 ILE   B HB   1 c 
ATOM   3286 H HG12 . ILE   B 1 90  ? 16.744 8.107   -28.126 1   16.807 ? 102 ILE   B HG12 1 c 
ATOM   3287 H HG13 . ILE   B 1 90  ? 16.123 7.884   -26.688 1   16.907 ? 102 ILE   B HG13 1 c 
ATOM   3288 H HG21 . ILE   B 1 90  ? 19.326 9.278   -27.415 1   14.983 ? 102 ILE   B HG21 1 c 
ATOM   3289 H HG22 . ILE   B 1 90  ? 19.288 8.036   -28.397 1   14.802 ? 102 ILE   B HG22 1 c 
ATOM   3290 H HG23 . ILE   B 1 90  ? 20.171 7.982   -27.082 1   14.958 ? 102 ILE   B HG23 1 c 
ATOM   3291 H HD11 . ILE   B 1 90  ? 16.868 10.031  -26.047 1   18.277 ? 102 ILE   B HD11 1 c 
ATOM   3292 H HD12 . ILE   B 1 90  ? 15.862 10.108  -27.279 1   18.304 ? 102 ILE   B HD12 1 c 
ATOM   3293 H HD13 . ILE   B 1 90  ? 17.426 10.268  -27.519 1   18.362 ? 102 ILE   B HD13 1 c 
ATOM   3294 N N    . ALA   B 1 91  ? 20.336 5.159   -27.248 1   13.746 ? 103 ALA   B N    1 ? 
ATOM   3295 C CA   . ALA   B 1 91  ? 21.623 4.605   -26.892 1   13.634 ? 103 ALA   B CA   1 ? 
ATOM   3296 C C    . ALA   B 1 91  ? 22.735 5.255   -27.704 1   13.025 ? 103 ALA   B C    1 ? 
ATOM   3297 O O    . ALA   B 1 91  ? 22.493 5.742   -28.829 1   13.245 ? 103 ALA   B O    1 ? 
ATOM   3298 C CB   . ALA   B 1 91  ? 21.591 3.114   -27.158 1   13.76  ? 103 ALA   B CB   1 ? 
ATOM   3299 H H    . ALA   B 1 91  ? 20.099 5.192   -28.131 1   13.831 ? 103 ALA   B H    1 c 
ATOM   3300 H HA   . ALA   B 1 91  ? 21.791 4.771   -25.925 1   13.485 ? 103 ALA   B HA   1 c 
ATOM   3301 H HB1  . ALA   B 1 91  ? 20.894 2.701   -26.622 1   13.7   ? 103 ALA   B HB1  1 c 
ATOM   3302 H HB2  . ALA   B 1 91  ? 21.41  2.954   -28.099 1   13.801 ? 103 ALA   B HB2  1 c 
ATOM   3303 H HB3  . ALA   B 1 91  ? 22.45  2.721   -26.925 1   13.724 ? 103 ALA   B HB3  1 c 
ATOM   3304 N N    . HIS   B 1 92  ? 23.928 5.223   -27.125 1   13.511 ? 104 HIS   B N    1 ? 
ATOM   3305 C CA   . HIS   B 1 92  ? 25.151 5.464   -27.845 1   14.854 ? 104 HIS   B CA   1 ? 
ATOM   3306 C C    . HIS   B 1 92  ? 25.894 4.155   -28.109 1   14.105 ? 104 HIS   B C    1 ? 
ATOM   3307 O O    . HIS   B 1 92  ? 26.027 3.341   -27.195 1   15.404 ? 104 HIS   B O    1 ? 
ATOM   3308 C CB   . HIS   B 1 92  ? 26.049 6.391   -27.023 1   13.217 ? 104 HIS   B CB   1 ? 
ATOM   3309 C CG   . HIS   B 1 92  ? 25.566 7.814   -26.982 1   13.074 ? 104 HIS   B CG   1 ? 
ATOM   3310 N ND1  . HIS   B 1 92  ? 26.175 8.793   -26.215 1   12.801 ? 104 HIS   B ND1  1 ? 
ATOM   3311 C CD2  . HIS   B 1 92  ? 24.533 8.39    -27.616 1   13.238 ? 104 HIS   B CD2  1 ? 
ATOM   3312 C CE1  . HIS   B 1 92  ? 25.552 9.948   -26.434 1   14.377 ? 104 HIS   B CE1  1 ? 
ATOM   3313 N NE2  . HIS   B 1 92  ? 24.539 9.727   -27.312 1   13.208 ? 104 HIS   B NE2  1 ? 
ATOM   3314 H H    . HIS   B 1 92  ? 23.979 5.04    -26.231 1   13.548 ? 104 HIS   B H    1 c 
ATOM   3315 H HA   . HIS   B 1 92  ? 24.939 5.889   -28.709 1   14.278 ? 104 HIS   B HA   1 c 
ATOM   3316 H HB2  . HIS   B 1 92  ? 26.102 6.045   -26.105 1   13.442 ? 104 HIS   B HB2  1 c 
ATOM   3317 H HB3  . HIS   B 1 92  ? 26.954 6.372   -27.403 1   13.377 ? 104 HIS   B HB3  1 c 
ATOM   3318 H HD1  . HIS   B 1 92  ? 26.864 8.671   -25.676 0   12.87  ? 104 HIS   B HD1  1 c 
ATOM   3319 H HD2  . HIS   B 1 92  ? 23.943 7.974   -28.213 1   13.272 ? 104 HIS   B HD2  1 c 
ATOM   3320 H HE1  . HIS   B 1 92  ? 25.766 10.772  -26.032 1   13.92  ? 104 HIS   B HE1  1 c 
ATOM   3321 H HE2  . HIS   B 1 92  ? 24.001 10.337  -27.638 0   13.62  ? 104 HIS   B HE2  1 c 
ATOM   3322 N N    . LEU   B 1 93  ? 26.425 4.011   -29.334 1   14.43  ? 105 LEU   B N    1 ? 
ATOM   3323 C CA   . LEU   B 1 93  ? 27.252 2.873   -29.711 1   14.296 ? 105 LEU   B CA   1 ? 
ATOM   3324 C C    . LEU   B 1 93  ? 28.586 3.399   -30.235 1   14.473 ? 105 LEU   B C    1 ? 
ATOM   3325 O O    . LEU   B 1 93  ? 28.591 4.29    -31.078 1   14.505 ? 105 LEU   B O    1 ? 
ATOM   3326 C CB   . LEU   B 1 93  ? 26.604 2.06    -30.841 1   14.99  ? 105 LEU   B CB   1 ? 
ATOM   3327 C CG   . LEU   B 1 93  ? 25.242 1.422   -30.582 1   16.089 ? 105 LEU   B CG   1 ? 
ATOM   3328 C CD1  . LEU   B 1 93  ? 24.776 0.639   -31.824 1   16.997 ? 105 LEU   B CD1  1 ? 
ATOM   3329 C CD2  . LEU   B 1 93  ? 25.307 0.513   -29.392 1   16.197 ? 105 LEU   B CD2  1 ? 
ATOM   3330 H H    . LEU   B 1 93  ? 26.261 4.654   -29.963 1   14.336 ? 105 LEU   B H    1 c 
ATOM   3331 H HA   . LEU   B 1 93  ? 27.402 2.299   -28.922 1   14.415 ? 105 LEU   B HA   1 c 
ATOM   3332 H HB2  . LEU   B 1 93  ? 26.519 2.65    -31.625 1   15.065 ? 105 LEU   B HB2  1 c 
ATOM   3333 H HB3  . LEU   B 1 93  ? 27.232 1.345   -31.095 1   14.971 ? 105 LEU   B HB3  1 c 
ATOM   3334 H HG   . LEU   B 1 93  ? 24.585 2.142   -30.396 1   16.038 ? 105 LEU   B HG   1 c 
ATOM   3335 H HD11 . LEU   B 1 93  ? 24.701 1.245   -32.581 1   16.827 ? 105 LEU   B HD11 1 c 
ATOM   3336 H HD12 . LEU   B 1 93  ? 23.91  0.235   -31.647 1   16.768 ? 105 LEU   B HD12 1 c 
ATOM   3337 H HD13 . LEU   B 1 93  ? 25.422 -0.057  -32.03  1   16.85  ? 105 LEU   B HD13 1 c 
ATOM   3338 H HD21 . LEU   B 1 93  ? 25.542 1.026   -28.601 1   16.093 ? 105 LEU   B HD21 1 c 
ATOM   3339 H HD22 . LEU   B 1 93  ? 25.979 -0.173  -29.544 1   16.22  ? 105 LEU   B HD22 1 c 
ATOM   3340 H HD23 . LEU   B 1 93  ? 24.442 0.092   -29.257 1   16.243 ? 105 LEU   B HD23 1 c 
ATOM   3341 N N    . LEU   B 1 94  ? 29.676 2.797   -29.778 1   13.311 ? 106 LEU   B N    1 ? 
ATOM   3342 C CA   . LEU   B 1 94  ? 30.974 2.953   -30.413 1   13.601 ? 106 LEU   B CA   1 ? 
ATOM   3343 C C    . LEU   B 1 94  ? 31.367 1.611   -31.006 1   13.986 ? 106 LEU   B C    1 ? 
ATOM   3344 O O    . LEU   B 1 94  ? 31.286 0.585   -30.325 1   15.081 ? 106 LEU   B O    1 ? 
ATOM   3345 C CB   . LEU   B 1 94  ? 31.932 3.433   -29.318 1   14.825 ? 106 LEU   B CB   1 ? 
ATOM   3346 C CG   . LEU   B 1 94  ? 33.353 3.785   -29.762 1   16.473 ? 106 LEU   B CG   1 ? 
ATOM   3347 C CD1  . LEU   B 1 94  ? 33.333 4.996   -30.694 1   16.43  ? 106 LEU   B CD1  1 ? 
ATOM   3348 C CD2  . LEU   B 1 94  ? 34.278 3.991   -28.555 1   18.058 ? 106 LEU   B CD2  1 ? 
ATOM   3349 H H    . LEU   B 1 94  ? 29.613 2.264   -29.039 1   13.474 ? 106 LEU   B H    1 c 
ATOM   3350 H HA   . LEU   B 1 94  ? 30.909 3.632   -31.129 1   13.784 ? 106 LEU   B HA   1 c 
ATOM   3351 H HB2  . LEU   B 1 94  ? 31.536 4.228   -28.892 1   14.806 ? 106 LEU   B HB2  1 c 
ATOM   3352 H HB3  . LEU   B 1 94  ? 31.988 2.73    -28.631 1   14.836 ? 106 LEU   B HB3  1 c 
ATOM   3353 H HG   . LEU   B 1 94  ? 33.708 3.017   -30.28  1   16.418 ? 106 LEU   B HG   1 c 
ATOM   3354 H HD11 . LEU   B 1 94  ? 32.814 4.789   -31.489 1   16.482 ? 106 LEU   B HD11 1 c 
ATOM   3355 H HD12 . LEU   B 1 94  ? 34.243 5.221   -30.953 1   16.375 ? 106 LEU   B HD12 1 c 
ATOM   3356 H HD13 . LEU   B 1 94  ? 32.933 5.753   -30.235 1   16.455 ? 106 LEU   B HD13 1 c 
ATOM   3357 H HD21 . LEU   B 1 94  ? 34.313 3.175   -28.029 1   17.807 ? 106 LEU   B HD21 1 c 
ATOM   3358 H HD22 . LEU   B 1 94  ? 33.937 4.716   -28.004 1   17.818 ? 106 LEU   B HD22 1 c 
ATOM   3359 H HD23 . LEU   B 1 94  ? 35.172 4.214   -28.865 1   17.764 ? 106 LEU   B HD23 1 c 
ATOM   3360 N N    . ILE   B 1 95  ? 31.866 1.655   -32.246 1   13.846 ? 107 ILE   B N    1 ? 
ATOM   3361 C CA   . ILE   B 1 95  ? 31.942 0.484   -33.093 1   14.313 ? 107 ILE   B CA   1 ? 
ATOM   3362 C C    . ILE   B 1 95  ? 33.303 0.392   -33.757 1   15.705 ? 107 ILE   B C    1 ? 
ATOM   3363 O O    . ILE   B 1 95  ? 33.669 1.276   -34.536 1   15.991 ? 107 ILE   B O    1 ? 
ATOM   3364 C CB   . ILE   B 1 95  ? 30.834 0.524   -34.163 1   13.127 ? 107 ILE   B CB   1 ? 
ATOM   3365 C CG1  . ILE   B 1 95  ? 29.444 0.595   -33.549 1   12.655 ? 107 ILE   B CG1  1 ? 
ATOM   3366 C CG2  . ILE   B 1 95  ? 30.989 -0.641  -35.155 1   13.494 ? 107 ILE   B CG2  1 ? 
ATOM   3367 C CD1  . ILE   B 1 95  ? 28.385 1.13    -34.518 1   13.234 ? 107 ILE   B CD1  1 ? 
ATOM   3368 H H    . ILE   B 1 95  ? 32.175 2.451   -32.573 1   14.068 ? 107 ILE   B H    1 c 
ATOM   3369 H HA   . ILE   B 1 95  ? 31.807 -0.308  -32.541 1   14.301 ? 107 ILE   B HA   1 c 
ATOM   3370 H HB   . ILE   B 1 95  ? 30.961 1.35    -34.67  1   13.383 ? 107 ILE   B HB   1 c 
ATOM   3371 H HG12 . ILE   B 1 95  ? 29.181 -0.3    -33.253 1   12.942 ? 107 ILE   B HG12 1 c 
ATOM   3372 H HG13 . ILE   B 1 95  ? 29.47  1.175   -32.761 1   12.902 ? 107 ILE   B HG13 1 c 
ATOM   3373 H HG21 . ILE   B 1 95  ? 30.256 -0.626  -35.792 1   13.456 ? 107 ILE   B HG21 1 c 
ATOM   3374 H HG22 . ILE   B 1 95  ? 30.978 -1.484  -34.672 1   13.574 ? 107 ILE   B HG22 1 c 
ATOM   3375 H HG23 . ILE   B 1 95  ? 31.83  -0.555  -35.633 1   13.561 ? 107 ILE   B HG23 1 c 
ATOM   3376 H HD11 . ILE   B 1 95  ? 28.639 2.026   -34.811 1   13.183 ? 107 ILE   B HD11 1 c 
ATOM   3377 H HD12 . ILE   B 1 95  ? 27.519 1.17    -34.069 1   13.094 ? 107 ILE   B HD12 1 c 
ATOM   3378 H HD13 . ILE   B 1 95  ? 28.32  0.543   -35.294 1   13.171 ? 107 ILE   B HD13 1 c 
ATOM   3379 N N    . LYS   B 1 96  ? 33.981 -0.739  -33.534 1   17.272 ? 108 LYS   B N    1 ? 
ATOM   3380 C CA   . LYS   B 1 96  ? 35.261 -0.97   -34.18  1   18.284 ? 108 LYS   B CA   1 ? 
ATOM   3381 C C    . LYS   B 1 96  ? 35.044 -1.431  -35.615 1   17.086 ? 108 LYS   B C    1 ? 
ATOM   3382 O O    . LYS   B 1 96  ? 33.995 -1.938  -35.95  1   15.273 ? 108 LYS   B O    1 ? 
ATOM   3383 C CB   . LYS   B 1 96  ? 36.073 -1.967  -33.364 1   21.853 ? 108 LYS   B CB   1 ? 
ATOM   3384 C CG   . LYS   B 1 96  ? 36.616 -1.398  -32.054 1   25.194 ? 108 LYS   B CG   1 ? 
ATOM   3385 C CD   . LYS   B 1 96  ? 37.513 -2.377  -31.291 1   30.374 ? 108 LYS   B CD   1 ? 
ATOM   3386 C CE   . LYS   B 1 96  ? 37.981 -1.91   -29.904 1   34.731 ? 108 LYS   B CE   1 ? 
ATOM   3387 N NZ   . LYS   B 1 96  ? 39.196 -2.637  -29.548 1   42.314 ? 108 LYS   B NZ   1 ? 
ATOM   3388 H H    . LYS   B 1 96  ? 33.642 -1.375  -32.973 1   17.311 ? 108 LYS   B H    1 c 
ATOM   3389 H HA   . LYS   B 1 96  ? 35.755 -0.112  -34.197 1   18.205 ? 108 LYS   B HA   1 c 
ATOM   3390 H HB2  . LYS   B 1 96  ? 35.511 -2.744  -33.158 1   21.662 ? 108 LYS   B HB2  1 c 
ATOM   3391 H HB3  . LYS   B 1 96  ? 36.829 -2.281  -33.904 1   21.638 ? 108 LYS   B HB3  1 c 
ATOM   3392 H HG2  . LYS   B 1 96  ? 37.127 -0.584  -32.253 1   25.338 ? 108 LYS   B HG2  1 c 
ATOM   3393 H HG3  . LYS   B 1 96  ? 35.858 -1.146  -31.483 1   25.311 ? 108 LYS   B HG3  1 c 
ATOM   3394 H HD2  . LYS   B 1 96  ? 37.027 -3.224  -31.188 1   29.847 ? 108 LYS   B HD2  1 c 
ATOM   3395 H HD3  . LYS   B 1 96  ? 38.305 -2.562  -31.842 1   30.04  ? 108 LYS   B HD3  1 c 
ATOM   3396 H HE2  . LYS   B 1 96  ? 38.166 -0.954  -29.917 1   35.138 ? 108 LYS   B HE2  1 c 
ATOM   3397 H HE3  . LYS   B 1 96  ? 37.29  -2.085  -29.24  1   35.143 ? 108 LYS   B HE3  1 c 
ATOM   3398 H HZ1  . LYS   B 1 96  ? 39.853 -2.451  -30.144 1   40.516 ? 108 LYS   B HZ1  1 c 
ATOM   3399 H HZ2  . LYS   B 1 96  ? 39.032 -3.528  -29.553 1   40.282 ? 108 LYS   B HZ2  1 c 
ATOM   3400 H HZ3  . LYS   B 1 96  ? 39.468 -2.39   -28.72  1   40.63  ? 108 LYS   B HZ3  1 c 
ATOM   3401 N N    . PRO   B 1 97  ? 36.048 -1.32   -36.515 1   16.842 ? 109 PRO   B N    1 ? 
ATOM   3402 C CA   . PRO   B 1 97  ? 35.805 -1.616  -37.927 1   17.465 ? 109 PRO   B CA   1 ? 
ATOM   3403 C C    . PRO   B 1 97  ? 35.259 -3.012  -38.224 1   16.153 ? 109 PRO   B C    1 ? 
ATOM   3404 O O    . PRO   B 1 97  ? 34.493 -3.197  -39.156 1   17.109 ? 109 PRO   B O    1 ? 
ATOM   3405 C CB   . PRO   B 1 97  ? 37.123 -1.387  -38.601 1   18.866 ? 109 PRO   B CB   1 ? 
ATOM   3406 C CG   . PRO   B 1 97  ? 38.037 -0.732  -37.597 1   20.468 ? 109 PRO   B CG   1 ? 
ATOM   3407 C CD   . PRO   B 1 97  ? 37.39  -0.779  -36.235 1   17.424 ? 109 PRO   B CD   1 ? 
ATOM   3408 H HA   . PRO   B 1 97  ? 35.168 -0.957  -38.274 1   17.549 ? 109 PRO   B HA   1 c 
ATOM   3409 H HB2  . PRO   B 1 97  ? 37.504 -2.234  -38.905 1   18.972 ? 109 PRO   B HB2  1 c 
ATOM   3410 H HB3  . PRO   B 1 97  ? 37.01  -0.811  -39.383 1   19.023 ? 109 PRO   B HB3  1 c 
ATOM   3411 H HG2  . PRO   B 1 97  ? 38.895 -1.201  -37.571 1   19.966 ? 109 PRO   B HG2  1 c 
ATOM   3412 H HG3  . PRO   B 1 97  ? 38.203 0.196   -37.85  1   19.755 ? 109 PRO   B HG3  1 c 
ATOM   3413 H HD2  . PRO   B 1 97  ? 37.882 -1.367  -35.63  1   17.944 ? 109 PRO   B HD2  1 c 
ATOM   3414 H HD3  . PRO   B 1 97  ? 37.33  0.112   -35.841 1   17.865 ? 109 PRO   B HD3  1 c 
ATOM   3415 N N    . GLU   B 1 98  ? 35.657 -4.003  -37.421 1   17.577 ? 110 GLU   B N    1 ? 
ATOM   3416 C CA   . GLU   B 1 98  ? 35.262 -5.382  -37.65  1   19.011 ? 110 GLU   B CA   1 ? 
ATOM   3417 C C    . GLU   B 1 98  ? 33.731 -5.508  -37.618 1   17.189 ? 110 GLU   B C    1 ? 
ATOM   3418 O O    . GLU   B 1 98  ? 33.209 -6.466  -38.151 1   19.455 ? 110 GLU   B O    1 ? 
ATOM   3419 C CB   . GLU   B 1 98  ? 35.87  -6.303  -36.584 1   20.923 ? 110 GLU   B CB   1 ? 
ATOM   3420 C CG   . GLU   B 1 98  ? 37.402 -6.296  -36.653 1   24.524 ? 110 GLU   B CG   1 ? 
ATOM   3421 C CD   . GLU   B 1 98  ? 38.196 -5.073  -36.149 1   28.33  ? 110 GLU   B CD   1 ? 
ATOM   3422 O OE1  . GLU   B 1 98  ? 37.651 -4.246  -35.381 1   23.82  ? 110 GLU   B OE1  1 ? 
ATOM   3423 O OE2  . GLU   B 1 98  ? 39.407 -4.979  -36.507 1   34.698 ? 110 GLU   B OE2  1 ? 
ATOM   3424 H H    . GLU   B 1 98  ? 36.178 -3.808  -36.698 1   17.706 ? 110 GLU   B H    1 c 
ATOM   3425 H HA   . GLU   B 1 98  ? 35.588 -5.657  -38.544 1   18.975 ? 110 GLU   B HA   1 c 
ATOM   3426 H HB2  . GLU   B 1 98  ? 35.579 -6.004  -35.697 1   21.242 ? 110 GLU   B HB2  1 c 
ATOM   3427 H HB3  . GLU   B 1 98  ? 35.537 -7.215  -36.719 1   21.187 ? 110 GLU   B HB3  1 c 
ATOM   3428 H HG2  . GLU   B 1 98  ? 37.727 -7.077  -36.157 1   24.616 ? 110 GLU   B HG2  1 c 
ATOM   3429 H HG3  . GLU   B 1 98  ? 37.658 -6.443  -37.589 1   24.603 ? 110 GLU   B HG3  1 c 
ATOM   3430 N N    . TYR   B 1 99  ? 33.021 -4.574  -36.954 1   16.484 ? 111 TYR   B N    1 ? 
ATOM   3431 C CA   . TYR   B 1 99  ? 31.57  -4.633  -36.879 1   14.024 ? 111 TYR   B CA   1 ? 
ATOM   3432 C C    . TYR   B 1 99  ? 30.934 -3.544  -37.745 1   14.883 ? 111 TYR   B C    1 ? 
ATOM   3433 O O    . TYR   B 1 99  ? 29.751 -3.231  -37.583 1   14.515 ? 111 TYR   B O    1 ? 
ATOM   3434 C CB   . TYR   B 1 99  ? 31.093 -4.587  -35.419 1   12.835 ? 111 TYR   B CB   1 ? 
ATOM   3435 C CG   . TYR   B 1 99  ? 31.537 -5.775  -34.579 1   13.897 ? 111 TYR   B CG   1 ? 
ATOM   3436 C CD1  . TYR   B 1 99  ? 32.799 -5.827  -33.981 1   14.18  ? 111 TYR   B CD1  1 ? 
ATOM   3437 C CD2  . TYR   B 1 99  ? 30.767 -6.905  -34.51  1   15.078 ? 111 TYR   B CD2  1 ? 
ATOM   3438 C CE1  . TYR   B 1 99  ? 33.255 -6.949  -33.303 1   14.804 ? 111 TYR   B CE1  1 ? 
ATOM   3439 C CE2  . TYR   B 1 99  ? 31.172 -8.01   -33.799 1   17.766 ? 111 TYR   B CE2  1 ? 
ATOM   3440 C CZ   . TYR   B 1 99  ? 32.416 -8.046  -33.19  1   17.634 ? 111 TYR   B CZ   1 ? 
ATOM   3441 O OH   . TYR   B 1 99  ? 32.75  -9.174  -32.485 1   20.612 ? 111 TYR   B OH   1 ? 
ATOM   3442 H H    . TYR   B 1 99  ? 33.455 -3.894  -36.526 1   16.1   ? 111 TYR   B H    1 c 
ATOM   3443 H HA   . TYR   B 1 99  ? 31.287 -5.51   -37.251 1   14.272 ? 111 TYR   B HA   1 c 
ATOM   3444 H HB2  . TYR   B 1 99  ? 31.433 -3.762  -35.006 1   13.178 ? 111 TYR   B HB2  1 c 
ATOM   3445 H HB3  . TYR   B 1 99  ? 30.111 -4.544  -35.412 1   13.151 ? 111 TYR   B HB3  1 c 
ATOM   3446 H HD1  . TYR   B 1 99  ? 33.371 -5.08   -34.059 1   14.34  ? 111 TYR   B HD1  1 c 
ATOM   3447 H HD2  . TYR   B 1 99  ? 29.916 -6.908  -34.918 1   15.248 ? 111 TYR   B HD2  1 c 
ATOM   3448 H HE1  . TYR   B 1 99  ? 34.095 -6.943  -32.875 1   15.254 ? 111 TYR   B HE1  1 c 
ATOM   3449 H HE2  . TYR   B 1 99  ? 30.6   -8.756  -33.731 1   17.204 ? 111 TYR   B HE2  1 c 
ATOM   3450 H HH   . TYR   B 1 99  ? 33.534 -9.083  -32.139 0   20.75  ? 111 TYR   B HH   1 c 
ATOM   3451 N N    . ALA   B 1 100 ? 31.706 -2.924  -38.638 1   17.353 ? 112 ALA   B N    1 ? 
ATOM   3452 C CA   . ALA   B 1 100 ? 31.257 -1.838  -39.477 1   14.781 ? 112 ALA   B CA   1 ? 
ATOM   3453 C C    . ALA   B 1 100 ? 31.727 -2.137  -40.91  1   15.4   ? 112 ALA   B C    1 ? 
ATOM   3454 O O    . ALA   B 1 100 ? 31.195 -3.079  -41.503 1   16.91  ? 112 ALA   B O    1 ? 
ATOM   3455 C CB   . ALA   B 1 100 ? 31.687 -0.517  -38.93  1   14.252 ? 112 ALA   B CB   1 ? 
ATOM   3456 H H    . ALA   B 1 100 ? 32.57  -3.205  -38.733 1   16.772 ? 112 ALA   B H    1 c 
ATOM   3457 H HA   . ALA   B 1 100 ? 30.262 -1.857  -39.485 1   15.178 ? 112 ALA   B HA   1 c 
ATOM   3458 H HB1  . ALA   B 1 100 ? 31.274 -0.372  -38.062 1   14.481 ? 112 ALA   B HB1  1 c 
ATOM   3459 H HB2  . ALA   B 1 100 ? 32.654 -0.503  -38.83  1   14.402 ? 112 ALA   B HB2  1 c 
ATOM   3460 H HB3  . ALA   B 1 100 ? 31.416 0.193   -39.537 1   14.444 ? 112 ALA   B HB3  1 c 
ATOM   3461 N N    . TYR   B 1 101 ? 32.684 -1.384  -41.476 1   14.589 ? 113 TYR   B N    1 ? 
ATOM   3462 C CA   . TYR   B 1 101 ? 33.104 -1.563  -42.873 1   16.984 ? 113 TYR   B CA   1 ? 
ATOM   3463 C C    . TYR   B 1 101 ? 34.518 -2.144  -43.011 1   18.852 ? 113 TYR   B C    1 ? 
ATOM   3464 O O    . TYR   B 1 101 ? 35.027 -2.257  -44.127 1   20.293 ? 113 TYR   B O    1 ? 
ATOM   3465 C CB   . TYR   B 1 101 ? 32.953 -0.234  -43.592 1   16.03  ? 113 TYR   B CB   1 ? 
ATOM   3466 C CG   . TYR   B 1 101 ? 31.51  0.252   -43.557 1   16.974 ? 113 TYR   B CG   1 ? 
ATOM   3467 C CD1  . TYR   B 1 101 ? 30.596 -0.129  -44.53  1   17.553 ? 113 TYR   B CD1  1 ? 
ATOM   3468 C CD2  . TYR   B 1 101 ? 31.119 1.182   -42.626 1   17.453 ? 113 TYR   B CD2  1 ? 
ATOM   3469 C CE1  . TYR   B 1 101 ? 29.289 0.328   -44.505 1   17.963 ? 113 TYR   B CE1  1 ? 
ATOM   3470 C CE2  . TYR   B 1 101 ? 29.817 1.64    -42.586 1   16.504 ? 113 TYR   B CE2  1 ? 
ATOM   3471 C CZ   . TYR   B 1 101 ? 28.901 1.242   -43.537 1   16.32  ? 113 TYR   B CZ   1 ? 
ATOM   3472 O OH   . TYR   B 1 101 ? 27.621 1.772   -43.463 1   15.634 ? 113 TYR   B OH   1 ? 
ATOM   3473 H H    . TYR   B 1 101 ? 33.094 -0.737  -40.979 1   15.142 ? 113 TYR   B H    1 c 
ATOM   3474 H HA   . TYR   B 1 101 ? 32.476 -2.204  -43.298 1   16.684 ? 113 TYR   B HA   1 c 
ATOM   3475 H HB2  . TYR   B 1 101 ? 33.533 0.432   -43.159 1   16.504 ? 113 TYR   B HB2  1 c 
ATOM   3476 H HB3  . TYR   B 1 101 ? 33.239 -0.34   -44.526 1   16.281 ? 113 TYR   B HB3  1 c 
ATOM   3477 H HD1  . TYR   B 1 101 ? 30.856 -0.748  -45.194 1   17.861 ? 113 TYR   B HD1  1 c 
ATOM   3478 H HD2  . TYR   B 1 101 ? 31.732 1.47    -41.969 1   17.345 ? 113 TYR   B HD2  1 c 
ATOM   3479 H HE1  . TYR   B 1 101 ? 28.674 0.042   -45.158 1   17.736 ? 113 TYR   B HE1  1 c 
ATOM   3480 H HE2  . TYR   B 1 101 ? 29.561 2.26    -41.925 1   16.887 ? 113 TYR   B HE2  1 c 
ATOM   3481 H HH   . TYR   B 1 101 ? 27.138 1.451   -44.098 0   15.69  ? 113 TYR   B HH   1 c 
ATOM   3482 N N    . GLY   B 1 102 ? 35.151 -2.581  -41.892 1   20.779 ? 114 GLY   B N    1 ? 
ATOM   3483 C CA   . GLY   B 1 102 ? 36.358 -3.392  -41.958 1   21.408 ? 114 GLY   B CA   1 ? 
ATOM   3484 C C    . GLY   B 1 102 ? 37.575 -2.677  -42.533 1   21.91  ? 114 GLY   B C    1 ? 
ATOM   3485 O O    . GLY   B 1 102 ? 37.604 -1.459  -42.624 1   20.693 ? 114 GLY   B O    1 ? 
ATOM   3486 H H    . GLY   B 1 102 ? 34.818 -2.359  -41.071 1   20.607 ? 114 GLY   B H    1 c 
ATOM   3487 H HA2  . GLY   B 1 102 ? 36.572 -3.705  -41.048 1   21.597 ? 114 GLY   B HA2  1 c 
ATOM   3488 H HA3  . GLY   B 1 102 ? 36.167 -4.189  -42.507 1   21.56  ? 114 GLY   B HA3  1 c 
ATOM   3489 N N    . SER   B 1 103 ? 38.596 -3.483  -42.867 1   23.447 ? 115 SER   B N    1 ? 
ATOM   3490 C CA   . SER   B 1 103 ? 39.861 -2.949  -43.327 1   25.63  ? 115 SER   B CA   1 ? 
ATOM   3491 C C    . SER   B 1 103 ? 39.692 -2.309  -44.704 1   27.944 ? 115 SER   B C    1 ? 
ATOM   3492 O O    . SER   B 1 103 ? 40.326 -1.309  -45.007 1   31.591 ? 115 SER   B O    1 ? 
ATOM   3493 C CB   . SER   B 1 103 ? 40.95  -4.034  -43.31  1   29.021 ? 115 SER   B CB   1 ? 
ATOM   3494 O OG   . SER   B 1 103 ? 40.553 -5.162  -44.073 1   29.851 ? 115 SER   B OG   1 ? 
ATOM   3495 H H    . SER   B 1 103 ? 38.494 -4.389  -42.806 1   23.76  ? 115 SER   B H    1 c 
ATOM   3496 H HA   . SER   B 1 103 ? 40.132 -2.236  -42.698 1   26.065 ? 115 SER   B HA   1 c 
ATOM   3497 H HB2  . SER   B 1 103 ? 41.777 -3.668  -43.677 1   29.076 ? 115 SER   B HB2  1 c 
ATOM   3498 H HB3  . SER   B 1 103 ? 41.119 -4.309  -42.389 1   28.734 ? 115 SER   B HB3  1 c 
ATOM   3499 H HG   . SER   B 1 103 ? 41.151 -5.759  -44.053 0   29.71  ? 115 SER   B HG   1 c 
ATOM   3500 N N    . ALA   B 1 104 ? 38.828 -2.884  -45.535 1   27.759 ? 116 ALA   B N    1 ? 
ATOM   3501 C CA   . ALA   B 1 104 ? 38.597 -2.372  -46.884 1   32.881 ? 116 ALA   B CA   1 ? 
ATOM   3502 C C    . ALA   B 1 104 ? 37.873 -1.031  -46.845 1   30.609 ? 116 ALA   B C    1 ? 
ATOM   3503 O O    . ALA   B 1 104 ? 37.992 -0.233  -47.765 1   30.322 ? 116 ALA   B O    1 ? 
ATOM   3504 C CB   . ALA   B 1 104 ? 37.763 -3.37   -47.682 1   38.396 ? 116 ALA   B CB   1 ? 
ATOM   3505 H H    . ALA   B 1 104 ? 38.367 -3.625  -45.263 1   29.294 ? 116 ALA   B H    1 c 
ATOM   3506 H HA   . ALA   B 1 104 ? 39.479 -2.245  -47.33  1   32.938 ? 116 ALA   B HA   1 c 
ATOM   3507 H HB1  . ALA   B 1 104 ? 38.228 -4.223  -47.728 1   37.462 ? 116 ALA   B HB1  1 c 
ATOM   3508 H HB2  . ALA   B 1 104 ? 36.903 -3.498  -47.249 1   37.723 ? 116 ALA   B HB2  1 c 
ATOM   3509 H HB3  . ALA   B 1 104 ? 37.622 -3.033  -48.583 1   37.407 ? 116 ALA   B HB3  1 c 
ATOM   3510 N N    . GLY   B 1 105 ? 37.063 -0.796  -45.814 1   26.603 ? 117 GLY   B N    1 ? 
ATOM   3511 C CA   . GLY   B 1 105 ? 36.173 0.343   -45.842 1   25.682 ? 117 GLY   B CA   1 ? 
ATOM   3512 C C    . GLY   B 1 105 ? 35.092 0.139   -46.915 1   23.533 ? 117 GLY   B C    1 ? 
ATOM   3513 O O    . GLY   B 1 105 ? 34.804 -0.972  -47.383 1   25.633 ? 117 GLY   B O    1 ? 
ATOM   3514 H H    . GLY   B 1 105 ? 37.057 -1.353  -45.089 1   27.809 ? 117 GLY   B H    1 c 
ATOM   3515 H HA2  . GLY   B 1 105 ? 35.751 0.45    -44.958 1   26.24  ? 117 GLY   B HA2  1 c 
ATOM   3516 H HA3  . GLY   B 1 105 ? 36.691 1.159   -46.037 1   25.892 ? 117 GLY   B HA3  1 c 
ATOM   3517 N N    . SER   B 1 106 ? 34.459 1.244   -47.273 1   19.209 ? 118 SER   B N    1 ? 
ATOM   3518 C CA   . SER   B 1 106 ? 33.479 1.244   -48.329 1   19.711 ? 118 SER   B CA   1 ? 
ATOM   3519 C C    . SER   B 1 106 ? 33.537 2.619   -48.964 1   22.88  ? 118 SER   B C    1 ? 
ATOM   3520 O O    . SER   B 1 106 ? 32.733 3.484   -48.656 1   24.37  ? 118 SER   B O    1 ? 
ATOM   3521 C CB   . SER   B 1 106 ? 32.122 0.908   -47.816 1   20.183 ? 118 SER   B CB   1 ? 
ATOM   3522 O OG   . SER   B 1 106 ? 31.281 0.651   -48.928 1   21.436 ? 118 SER   B OG   1 ? 
ATOM   3523 H H    . SER   B 1 106 ? 34.645 2.028   -46.843 1   20.35  ? 118 SER   B H    1 c 
ATOM   3524 H HA   . SER   B 1 106 ? 33.742 0.571   -49.007 1   20.608 ? 118 SER   B HA   1 c 
ATOM   3525 H HB2  . SER   B 1 106 ? 32.17  0.118   -47.245 1   20.826 ? 118 SER   B HB2  1 c 
ATOM   3526 H HB3  . SER   B 1 106 ? 31.768 1.652   -47.293 1   20.902 ? 118 SER   B HB3  1 c 
ATOM   3527 H HG   . SER   B 1 106 ? 30.51  0.454   -48.637 0   21.53  ? 118 SER   B HG   1 c 
ATOM   3528 N N    . LEU   B 1 107 ? 34.534 2.784   -49.836 1   24.913 ? 119 LEU   B N    1 ? 
ATOM   3529 C CA   . LEU   B 1 107 ? 34.79  4.072   -50.457 1   28.203 ? 119 LEU   B CA   1 ? 
ATOM   3530 C C    . LEU   B 1 107 ? 33.666 4.369   -51.451 1   29.133 ? 119 LEU   B C    1 ? 
ATOM   3531 O O    . LEU   B 1 107 ? 33.112 3.442   -52.043 1   28.582 ? 119 LEU   B O    1 ? 
ATOM   3532 C CB   . LEU   B 1 107 ? 36.154 4.052   -51.145 1   30.799 ? 119 LEU   B CB   1 ? 
ATOM   3533 C CG   . LEU   B 1 107 ? 37.383 4.076   -50.231 1   29.127 ? 119 LEU   B CG   1 ? 
ATOM   3534 C CD1  . LEU   B 1 107 ? 38.641 3.893   -51.09  1   31.97  ? 119 LEU   B CD1  1 ? 
ATOM   3535 C CD2  . LEU   B 1 107 ? 37.443 5.36    -49.384 1   31.336 ? 119 LEU   B CD2  1 ? 
ATOM   3536 H H    . LEU   B 1 107 ? 35.07  2.075   -50.049 1   25.463 ? 119 LEU   B H    1 c 
ATOM   3537 H HA   . LEU   B 1 107 ? 34.787 4.762   -49.75  1   28.34  ? 119 LEU   B HA   1 c 
ATOM   3538 H HB2  . LEU   B 1 107 ? 36.202 3.244   -51.705 1   30.275 ? 119 LEU   B HB2  1 c 
ATOM   3539 H HB3  . LEU   B 1 107 ? 36.204 4.828   -51.749 1   30.89  ? 119 LEU   B HB3  1 c 
ATOM   3540 H HG   . LEU   B 1 107 ? 37.321 3.304   -49.611 1   30.575 ? 119 LEU   B HG   1 c 
ATOM   3541 H HD11 . LEU   B 1 107 ? 38.594 3.043   -51.559 1   31.659 ? 119 LEU   B HD11 1 c 
ATOM   3542 H HD12 . LEU   B 1 107 ? 39.428 3.903   -50.519 1   31.837 ? 119 LEU   B HD12 1 c 
ATOM   3543 H HD13 . LEU   B 1 107 ? 38.702 4.616   -51.736 1   32.297 ? 119 LEU   B HD13 1 c 
ATOM   3544 H HD21 . LEU   B 1 107 ? 36.659 5.412   -48.812 1   31.442 ? 119 LEU   B HD21 1 c 
ATOM   3545 H HD22 . LEU   B 1 107 ? 37.467 6.135   -49.969 1   31.62  ? 119 LEU   B HD22 1 c 
ATOM   3546 H HD23 . LEU   B 1 107 ? 38.243 5.347   -48.832 1   31.219 ? 119 LEU   B HD23 1 c 
ATOM   3547 N N    . PRO   B 1 108 ? 33.327 5.656   -51.709 1   28.235 ? 120 PRO   B N    1 ? 
ATOM   3548 C CA   . PRO   B 1 108 ? 34.03  6.796   -51.116 1   30.728 ? 120 PRO   B CA   1 ? 
ATOM   3549 C C    . PRO   B 1 108 ? 33.649 7.184   -49.692 1   29.334 ? 120 PRO   B C    1 ? 
ATOM   3550 O O    . PRO   B 1 108 ? 34.355 7.953   -49.063 1   29.295 ? 120 PRO   B O    1 ? 
ATOM   3551 C CB   . PRO   B 1 108 ? 33.634 7.947   -52.043 1   31.753 ? 120 PRO   B CB   1 ? 
ATOM   3552 C CG   . PRO   B 1 108 ? 32.206 7.552   -52.444 1   29.947 ? 120 PRO   B CG   1 ? 
ATOM   3553 C CD   . PRO   B 1 108 ? 32.35  6.072   -52.73  1   29.59  ? 120 PRO   B CD   1 ? 
ATOM   3554 H HA   . PRO   B 1 108 ? 34.997 6.651   -51.169 1   30.662 ? 120 PRO   B HA   1 c 
ATOM   3555 H HB2  . PRO   B 1 108 ? 33.647 8.803   -51.574 1   31.451 ? 120 PRO   B HB2  1 c 
ATOM   3556 H HB3  . PRO   B 1 108 ? 34.22  7.99    -52.823 1   31.788 ? 120 PRO   B HB3  1 c 
ATOM   3557 H HG2  . PRO   B 1 108 ? 31.573 7.71    -51.715 1   30.568 ? 120 PRO   B HG2  1 c 
ATOM   3558 H HG3  . PRO   B 1 108 ? 31.91  8.038   -53.239 1   30.328 ? 120 PRO   B HG3  1 c 
ATOM   3559 H HD2  . PRO   B 1 108 ? 31.503 5.599   -52.617 1   29.42  ? 120 PRO   B HD2  1 c 
ATOM   3560 H HD3  . PRO   B 1 108 ? 32.695 5.912   -53.63  1   29.844 ? 120 PRO   B HD3  1 c 
ATOM   3561 N N    . LYS   B 1 109 ? 32.524 6.682   -49.185 1   26.89  ? 121 LYS   B N    1 ? 
ATOM   3562 C CA   . LYS   B 1 109 ? 32.013 7.231   -47.94  1   27.821 ? 121 LYS   B CA   1 ? 
ATOM   3563 C C    . LYS   B 1 109 ? 32.908 6.847   -46.756 1   25.537 ? 121 LYS   B C    1 ? 
ATOM   3564 O O    . LYS   B 1 109 ? 33.144 7.676   -45.871 1   25.961 ? 121 LYS   B O    1 ? 
ATOM   3565 C CB   . LYS   B 1 109 ? 30.576 6.766   -47.694 1   27.834 ? 121 LYS   B CB   1 ? 
ATOM   3566 C CG   . LYS   B 1 109 ? 29.914 7.316   -46.436 1   31.186 ? 121 LYS   B CG   1 ? 
ATOM   3567 C CD   . LYS   B 1 109 ? 29.812 8.824   -46.241 1   33.395 ? 121 LYS   B CD   1 ? 
ATOM   3568 C CE   . LYS   B 1 109 ? 28.445 9.392   -46.45  1   34.223 ? 121 LYS   B CE   1 ? 
ATOM   3569 N NZ   . LYS   B 1 109 ? 28.552 10.836  -46.625 1   34.104 ? 121 LYS   B NZ   1 ? 
ATOM   3570 H H    . LYS   B 1 109 ? 32.075 6.005   -49.604 1   27.558 ? 121 LYS   B H    1 c 
ATOM   3571 H HA   . LYS   B 1 109 ? 32.009 8.218   -48.019 1   27.525 ? 121 LYS   B HA   1 c 
ATOM   3572 H HB2  . LYS   B 1 109 ? 30.03  7.025   -48.466 1   28.335 ? 121 LYS   B HB2  1 c 
ATOM   3573 H HB3  . LYS   B 1 109 ? 30.57  5.787   -47.643 1   28.341 ? 121 LYS   B HB3  1 c 
ATOM   3574 H HG2  . LYS   B 1 109 ? 29.005 6.947   -46.4   1   30.966 ? 121 LYS   B HG2  1 c 
ATOM   3575 H HG3  . LYS   B 1 109 ? 30.394 6.945   -45.665 1   30.808 ? 121 LYS   B HG3  1 c 
ATOM   3576 H HD2  . LYS   B 1 109 ? 30.106 9.039   -45.328 1   33.234 ? 121 LYS   B HD2  1 c 
ATOM   3577 H HD3  . LYS   B 1 109 ? 30.434 9.265   -46.859 1   32.865 ? 121 LYS   B HD3  1 c 
ATOM   3578 H HE2  . LYS   B 1 109 ? 28.035 8.997   -47.24  1   34.078 ? 121 LYS   B HE2  1 c 
ATOM   3579 H HE3  . LYS   B 1 109 ? 27.883 9.2     -45.678 1   34.286 ? 121 LYS   B HE3  1 c 
ATOM   3580 H HZ1  . LYS   B 1 109 ? 28.982 11.021  -47.401 1   34.093 ? 121 LYS   B HZ1  1 c 
ATOM   3581 H HZ2  . LYS   B 1 109 ? 29.017 11.194  -45.934 1   34.098 ? 121 LYS   B HZ2  1 c 
ATOM   3582 H HZ3  . LYS   B 1 109 ? 27.726 11.206  -46.643 1   34.13  ? 121 LYS   B HZ3  1 c 
ATOM   3583 N N    . ILE   B 1 110 ? 33.288 5.569   -46.684 1   25.592 ? 122 ILE   B N    1 ? 
ATOM   3584 C CA   . ILE   B 1 110 ? 33.942 5.038   -45.487 1   24.181 ? 122 ILE   B CA   1 ? 
ATOM   3585 C C    . ILE   B 1 110 ? 35.372 4.603   -45.802 1   24.889 ? 122 ILE   B C    1 ? 
ATOM   3586 O O    . ILE   B 1 110 ? 35.622 3.69    -46.609 1   23.861 ? 122 ILE   B O    1 ? 
ATOM   3587 C CB   . ILE   B 1 110 ? 33.15  3.884   -44.854 1   21.51  ? 122 ILE   B CB   1 ? 
ATOM   3588 C CG1  . ILE   B 1 110 ? 31.667 4.176   -44.717 1   21.366 ? 122 ILE   B CG1  1 ? 
ATOM   3589 C CG2  . ILE   B 1 110 ? 33.787 3.465   -43.534 1   19.583 ? 122 ILE   B CG2  1 ? 
ATOM   3590 C CD1  . ILE   B 1 110 ? 31.319 5.227   -43.667 1   20.421 ? 122 ILE   B CD1  1 ? 
ATOM   3591 H H    . ILE   B 1 110 ? 33.136 5.01    -47.391 1   25.416 ? 122 ILE   B H    1 c 
ATOM   3592 H HA   . ILE   B 1 110 ? 33.982 5.756   -44.83  1   24.169 ? 122 ILE   B HA   1 c 
ATOM   3593 H HB   . ILE   B 1 110 ? 33.229 3.122   -45.461 1   21.524 ? 122 ILE   B HB   1 c 
ATOM   3594 H HG12 . ILE   B 1 110 ? 31.325 4.475   -45.583 1   21.301 ? 122 ILE   B HG12 1 c 
ATOM   3595 H HG13 . ILE   B 1 110 ? 31.206 3.344   -44.488 1   21.434 ? 122 ILE   B HG13 1 c 
ATOM   3596 H HG21 . ILE   B 1 110 ? 33.254 2.767   -43.122 1   19.89  ? 122 ILE   B HG21 1 c 
ATOM   3597 H HG22 . ILE   B 1 110 ? 33.834 4.23    -42.936 1   20.086 ? 122 ILE   B HG22 1 c 
ATOM   3598 H HG23 . ILE   B 1 110 ? 34.684 3.129   -43.695 1   19.75  ? 122 ILE   B HG23 1 c 
ATOM   3599 H HD11 . ILE   B 1 110 ? 31.604 4.923   -42.785 1   20.843 ? 122 ILE   B HD11 1 c 
ATOM   3600 H HD12 . ILE   B 1 110 ? 30.354 5.373   -43.662 1   20.621 ? 122 ILE   B HD12 1 c 
ATOM   3601 H HD13 . ILE   B 1 110 ? 31.771 6.065   -43.882 1   20.73  ? 122 ILE   B HD13 1 c 
ATOM   3602 N N    . PRO   B 1 111 ? 36.36  5.216   -45.127 1   24.272 ? 123 PRO   B N    1 ? 
ATOM   3603 C CA   . PRO   B 1 111 ? 37.733 4.787   -45.288 1   27.313 ? 123 PRO   B CA   1 ? 
ATOM   3604 C C    . PRO   B 1 111 ? 38.024 3.466   -44.593 1   24.054 ? 123 PRO   B C    1 ? 
ATOM   3605 O O    . PRO   B 1 111 ? 37.259 2.947   -43.813 1   22.511 ? 123 PRO   B O    1 ? 
ATOM   3606 C CB   . PRO   B 1 111 ? 38.554 5.927   -44.655 1   27.644 ? 123 PRO   B CB   1 ? 
ATOM   3607 C CG   . PRO   B 1 111 ? 37.616 6.63    -43.727 1   27.636 ? 123 PRO   B CG   1 ? 
ATOM   3608 C CD   . PRO   B 1 111 ? 36.211 6.324   -44.16  1   25.942 ? 123 PRO   B CD   1 ? 
ATOM   3609 H HA   . PRO   B 1 111 ? 37.947 4.713   -46.242 1   26.66  ? 123 PRO   B HA   1 c 
ATOM   3610 H HB2  . PRO   B 1 111 ? 39.321 5.572   -44.164 1   27.614 ? 123 PRO   B HB2  1 c 
ATOM   3611 H HB3  . PRO   B 1 111 ? 38.883 6.538   -45.342 1   27.953 ? 123 PRO   B HB3  1 c 
ATOM   3612 H HG2  . PRO   B 1 111 ? 37.756 6.326   -42.808 1   27.579 ? 123 PRO   B HG2  1 c 
ATOM   3613 H HG3  . PRO   B 1 111 ? 37.771 7.595   -43.758 1   27.521 ? 123 PRO   B HG3  1 c 
ATOM   3614 H HD2  . PRO   B 1 111 ? 35.663 6.046   -43.401 1   26.118 ? 123 PRO   B HD2  1 c 
ATOM   3615 H HD3  . PRO   B 1 111 ? 35.797 7.1     -44.587 1   25.881 ? 123 PRO   B HD3  1 c 
ATOM   3616 N N    . SER   B 1 112 ? 39.217 2.989   -44.838 1   25.418 ? 124 SER   B N    1 ? 
ATOM   3617 C CA   . SER   B 1 112 ? 39.802 1.835   -44.202 1   27.436 ? 124 SER   B CA   1 ? 
ATOM   3618 C C    . SER   B 1 112 ? 39.827 1.995   -42.674 1   23.607 ? 124 SER   B C    1 ? 
ATOM   3619 O O    . SER   B 1 112 ? 40.151 3.061   -42.153 1   24.5   ? 124 SER   B O    1 ? 
ATOM   3620 C CB   . SER   B 1 112 ? 41.182 1.729   -44.797 1   30.241 ? 124 SER   B CB   1 ? 
ATOM   3621 O OG   . SER   B 1 112 ? 41.858 0.627   -44.259 1   38.755 ? 124 SER   B OG   1 ? 
ATOM   3622 H H    . SER   B 1 112 ? 39.718 3.423   -45.468 1   25.875 ? 124 SER   B H    1 c 
ATOM   3623 H HA   . SER   B 1 112 ? 39.275 1.031   -44.442 1   27.152 ? 124 SER   B HA   1 c 
ATOM   3624 H HB2  . SER   B 1 112 ? 41.113 1.627   -45.766 1   31.052 ? 124 SER   B HB2  1 c 
ATOM   3625 H HB3  . SER   B 1 112 ? 41.683 2.545   -44.608 1   30.759 ? 124 SER   B HB3  1 c 
ATOM   3626 H HG   . SER   B 1 112 ? 42.653 0.616   -44.602 0   39.02  ? 124 SER   B HG   1 c 
ATOM   3627 N N    . ASN   B 1 113 ? 39.44  0.933   -41.974 1   23.549 ? 125 ASN   B N    1 ? 
ATOM   3628 C CA   . ASN   B 1 113 ? 39.633 0.788   -40.534 1   21.601 ? 125 ASN   B CA   1 ? 
ATOM   3629 C C    . ASN   B 1 113 ? 38.995 1.935   -39.765 1   20.597 ? 125 ASN   B C    1 ? 
ATOM   3630 O O    . ASN   B 1 113 ? 39.623 2.451   -38.829 1   24.017 ? 125 ASN   B O    1 ? 
ATOM   3631 C CB   . ASN   B 1 113 ? 41.128 0.688   -40.192 1   21.694 ? 125 ASN   B CB   1 ? 
ATOM   3632 C CG   . ASN   B 1 113 ? 41.692 -0.627  -40.634 1   23.924 ? 125 ASN   B CG   1 ? 
ATOM   3633 O OD1  . ASN   B 1 113 ? 42.832 -0.698  -41.101 1   28.44  ? 125 ASN   B OD1  1 ? 
ATOM   3634 N ND2  . ASN   B 1 113 ? 40.967 -1.687  -40.368 1   22.878 ? 125 ASN   B ND2  1 ? 
ATOM   3635 H H    . ASN   B 1 113 ? 39.029 0.248   -42.419 1   23.498 ? 125 ASN   B H    1 c 
ATOM   3636 H HA   . ASN   B 1 113 ? 39.201 -0.046  -40.25  1   22.373 ? 125 ASN   B HA   1 c 
ATOM   3637 H HB2  . ASN   B 1 113 ? 41.614 1.414   -40.631 1   22.49  ? 125 ASN   B HB2  1 c 
ATOM   3638 H HB3  . ASN   B 1 113 ? 41.25  0.78    -39.226 1   22.671 ? 125 ASN   B HB3  1 c 
ATOM   3639 H HD21 . ASN   B 1 113 ? 41.187 -2.468  -40.73  1   23.32  ? 125 ASN   B HD21 1 c 
ATOM   3640 H HD22 . ASN   B 1 113 ? 40.274 -1.64   -39.817 1   23.551 ? 125 ASN   B HD22 1 c 
ATOM   3641 N N    . ALA   B 1 114 ? 37.737 2.275   -40.107 1   18.541 ? 126 ALA   B N    1 ? 
ATOM   3642 C CA   . ALA   B 1 114 ? 37.04  3.359   -39.421 1   18.289 ? 126 ALA   B CA   1 ? 
ATOM   3643 C C    . ALA   B 1 114 ? 36.264 2.864   -38.202 1   17.744 ? 126 ALA   B C    1 ? 
ATOM   3644 O O    . ALA   B 1 114 ? 35.419 1.965   -38.308 1   17.648 ? 126 ALA   B O    1 ? 
ATOM   3645 C CB   . ALA   B 1 114 ? 36.042 4.012   -40.36  1   19.207 ? 126 ALA   B CB   1 ? 
ATOM   3646 H H    . ALA   B 1 114 ? 37.307 1.822   -40.774 1   19.124 ? 126 ALA   B H    1 c 
ATOM   3647 H HA   . ALA   B 1 114 ? 37.71  4.035   -39.125 1   18.677 ? 126 ALA   B HA   1 c 
ATOM   3648 H HB1  . ALA   B 1 114 ? 36.508 4.368   -41.136 1   19.239 ? 126 ALA   B HB1  1 c 
ATOM   3649 H HB2  . ALA   B 1 114 ? 35.389 3.354   -40.653 1   19.226 ? 126 ALA   B HB2  1 c 
ATOM   3650 H HB3  . ALA   B 1 114 ? 35.585 4.736   -39.901 1   19.385 ? 126 ALA   B HB3  1 c 
ATOM   3651 N N    . THR   B 1 115 ? 36.462 3.565   -37.084 1   17.373 ? 127 THR   B N    1 ? 
ATOM   3652 C CA   . THR   B 1 115 ? 35.604 3.452   -35.93  1   15.893 ? 127 THR   B CA   1 ? 
ATOM   3653 C C    . THR   B 1 115 ? 34.443 4.418   -36.113 1   15.736 ? 127 THR   B C    1 ? 
ATOM   3654 O O    . THR   B 1 115 ? 34.642 5.57    -36.508 1   18.46  ? 127 THR   B O    1 ? 
ATOM   3655 C CB   . THR   B 1 115 ? 36.378 3.742   -34.637 1   15.908 ? 127 THR   B CB   1 ? 
ATOM   3656 O OG1  . THR   B 1 115 ? 37.276 2.664   -34.39  1   20.652 ? 127 THR   B OG1  1 ? 
ATOM   3657 C CG2  . THR   B 1 115 ? 35.502 3.839   -33.407 1   14.625 ? 127 THR   B CG2  1 ? 
ATOM   3658 H H    . THR   B 1 115 ? 37.172 4.14    -37.043 1   17.265 ? 127 THR   B H    1 c 
ATOM   3659 H HA   . THR   B 1 115 ? 35.257 2.536   -35.888 1   16.249 ? 127 THR   B HA   1 c 
ATOM   3660 H HB   . THR   B 1 115 ? 36.891 4.579   -34.737 1   16.546 ? 127 THR   B HB   1 c 
ATOM   3661 H HG1  . THR   B 1 115 ? 36.813 1.925   -34.299 0   20.9   ? 127 THR   B HG1  1 c 
ATOM   3662 H HG21 . THR   B 1 115 ? 36.051 4.054   -32.635 1   14.995 ? 127 THR   B HG21 1 c 
ATOM   3663 H HG22 . THR   B 1 115 ? 35.057 2.988   -33.258 1   15.016 ? 127 THR   B HG22 1 c 
ATOM   3664 H HG23 . THR   B 1 115 ? 34.835 4.533   -33.532 1   15.086 ? 127 THR   B HG23 1 c 
ATOM   3665 N N    . LEU   B 1 116 ? 33.232 3.935   -35.796 1   15.083 ? 128 LEU   B N    1 ? 
ATOM   3666 C CA   . LEU   B 1 116 ? 32.026 4.731   -35.937 1   14.831 ? 128 LEU   B CA   1 ? 
ATOM   3667 C C    . LEU   B 1 116 ? 31.379 4.957   -34.575 1   13.911 ? 128 LEU   B C    1 ? 
ATOM   3668 O O    . LEU   B 1 116 ? 31.424 4.091   -33.692 1   14.624 ? 128 LEU   B O    1 ? 
ATOM   3669 C CB   . LEU   B 1 116 ? 31.014 4.041   -36.861 1   16.757 ? 128 LEU   B CB   1 ? 
ATOM   3670 C CG   . LEU   B 1 116 ? 31.479 3.602   -38.257 1   19.83  ? 128 LEU   B CG   1 ? 
ATOM   3671 C CD1  . LEU   B 1 116 ? 30.261 3.285   -39.183 1   17.933 ? 128 LEU   B CD1  1 ? 
ATOM   3672 C CD2  . LEU   B 1 116 ? 32.341 4.548   -38.888 1   20.777 ? 128 LEU   B CD2  1 ? 
ATOM   3673 H H    . LEU   B 1 116 ? 33.158 3.08    -35.481 1   15.095 ? 128 LEU   B H    1 c 
ATOM   3674 H HA   . LEU   B 1 116 ? 32.271 5.61    -36.322 1   15.043 ? 128 LEU   B HA   1 c 
ATOM   3675 H HB2  . LEU   B 1 116 ? 30.673 3.246   -36.391 1   17.038 ? 128 LEU   B HB2  1 c 
ATOM   3676 H HB3  . LEU   B 1 116 ? 30.248 4.65    -36.974 1   16.872 ? 128 LEU   B HB3  1 c 
ATOM   3677 H HG   . LEU   B 1 116 ? 31.994 2.761   -38.15  1   19.417 ? 128 LEU   B HG   1 c 
ATOM   3678 H HD11 . LEU   B 1 116 ? 29.734 2.567   -38.793 1   18.419 ? 128 LEU   B HD11 1 c 
ATOM   3679 H HD12 . LEU   B 1 116 ? 30.582 3.011   -40.058 1   18.337 ? 128 LEU   B HD12 1 c 
ATOM   3680 H HD13 . LEU   B 1 116 ? 29.708 4.079   -39.276 1   18.584 ? 128 LEU   B HD13 1 c 
ATOM   3681 H HD21 . LEU   B 1 116 ? 33.157 4.643   -38.373 1   20.656 ? 128 LEU   B HD21 1 c 
ATOM   3682 H HD22 . LEU   B 1 116 ? 31.891 5.406   -38.943 1   20.835 ? 128 LEU   B HD22 1 c 
ATOM   3683 H HD23 . LEU   B 1 116 ? 32.56  4.24    -39.783 1   20.679 ? 128 LEU   B HD23 1 c 
ATOM   3684 N N    . PHE   B 1 117 ? 30.726 6.097   -34.46  1   14.104 ? 129 PHE   B N    1 ? 
ATOM   3685 C CA   . PHE   B 1 117 ? 29.9   6.416   -33.3   1   13.813 ? 129 PHE   B CA   1 ? 
ATOM   3686 C C    . PHE   B 1 117 ? 28.479 6.738   -33.748 1   13.856 ? 129 PHE   B C    1 ? 
ATOM   3687 O O    . PHE   B 1 117 ? 28.305 7.477   -34.699 1   15.665 ? 129 PHE   B O    1 ? 
ATOM   3688 C CB   . PHE   B 1 117 ? 30.469 7.639   -32.584 1   14.185 ? 129 PHE   B CB   1 ? 
ATOM   3689 C CG   . PHE   B 1 117 ? 29.629 8.058   -31.398 1   16.304 ? 129 PHE   B CG   1 ? 
ATOM   3690 C CD1  . PHE   B 1 117 ? 29.803 7.48    -30.145 1   16.008 ? 129 PHE   B CD1  1 ? 
ATOM   3691 C CD2  . PHE   B 1 117 ? 28.626 9.019   -31.572 1   17.07  ? 129 PHE   B CD2  1 ? 
ATOM   3692 C CE1  . PHE   B 1 117 ? 28.992 7.881   -29.09  1   16.718 ? 129 PHE   B CE1  1 ? 
ATOM   3693 C CE2  . PHE   B 1 117 ? 27.837 9.388   -30.516 1   18.23  ? 129 PHE   B CE2  1 ? 
ATOM   3694 C CZ   . PHE   B 1 117 ? 28.035 8.813   -29.289 1   18.283 ? 129 PHE   B CZ   1 ? 
ATOM   3695 H H    . PHE   B 1 117 ? 30.788 6.713   -35.132 1   13.902 ? 129 PHE   B H    1 c 
ATOM   3696 H HA   . PHE   B 1 117 ? 29.888 5.644   -32.677 1   14.088 ? 129 PHE   B HA   1 c 
ATOM   3697 H HB2  . PHE   B 1 117 ? 31.38  7.431   -32.277 1   14.374 ? 129 PHE   B HB2  1 c 
ATOM   3698 H HB3  . PHE   B 1 117 ? 30.521 8.384   -33.223 1   14.451 ? 129 PHE   B HB3  1 c 
ATOM   3699 H HD1  . PHE   B 1 117 ? 30.472 6.826   -30.012 1   16.237 ? 129 PHE   B HD1  1 c 
ATOM   3700 H HD2  . PHE   B 1 117 ? 28.492 9.409   -32.421 1   17.089 ? 129 PHE   B HD2  1 c 
ATOM   3701 H HE1  . PHE   B 1 117 ? 29.109 7.499   -28.235 1   16.903 ? 129 PHE   B HE1  1 c 
ATOM   3702 H HE2  . PHE   B 1 117 ? 27.166 10.04   -30.631 1   17.878 ? 129 PHE   B HE2  1 c 
ATOM   3703 H HZ   . PHE   B 1 117 ? 27.495 9.081   -28.564 1   17.931 ? 129 PHE   B HZ   1 c 
ATOM   3704 N N    . PHE   B 1 118 ? 27.483 6.228   -33.043 1   13.623 ? 130 PHE   B N    1 ? 
ATOM   3705 C CA   . PHE   B 1 118 ? 26.086 6.585   -33.288 1   13.356 ? 130 PHE   B CA   1 ? 
ATOM   3706 C C    . PHE   B 1 118 ? 25.33  6.897   -31.997 1   13.681 ? 130 PHE   B C    1 ? 
ATOM   3707 O O    . PHE   B 1 118 ? 25.583 6.285   -30.976 1   11.799 ? 130 PHE   B O    1 ? 
ATOM   3708 C CB   . PHE   B 1 118 ? 25.317 5.46    -33.954 1   12.559 ? 130 PHE   B CB   1 ? 
ATOM   3709 C CG   . PHE   B 1 118 ? 25.766 5.088   -35.349 1   13.04  ? 130 PHE   B CG   1 ? 
ATOM   3710 C CD1  . PHE   B 1 118 ? 26.794 4.153   -35.532 1   14.45  ? 130 PHE   B CD1  1 ? 
ATOM   3711 C CD2  . PHE   B 1 118 ? 25.13  5.635   -36.469 1   12.77  ? 130 PHE   B CD2  1 ? 
ATOM   3712 C CE1  . PHE   B 1 118 ? 27.206 3.8     -36.811 1   12.844 ? 130 PHE   B CE1  1 ? 
ATOM   3713 C CE2  . PHE   B 1 118 ? 25.554 5.264   -37.747 1   14.11  ? 130 PHE   B CE2  1 ? 
ATOM   3714 C CZ   . PHE   B 1 118 ? 26.566 4.359   -37.893 1   14.582 ? 130 PHE   B CZ   1 ? 
ATOM   3715 H H    . PHE   B 1 118 ? 27.67  5.631   -32.377 1   13.582 ? 130 PHE   B H    1 c 
ATOM   3716 H HA   . PHE   B 1 118 ? 26.059 7.382   -33.876 1   13.306 ? 130 PHE   B HA   1 c 
ATOM   3717 H HB2  . PHE   B 1 118 ? 25.384 4.663   -33.382 1   12.853 ? 130 PHE   B HB2  1 c 
ATOM   3718 H HB3  . PHE   B 1 118 ? 24.368 5.715   -33.99  1   12.622 ? 130 PHE   B HB3  1 c 
ATOM   3719 H HD1  . PHE   B 1 118 ? 27.221 3.777   -34.78  1   13.829 ? 130 PHE   B HD1  1 c 
ATOM   3720 H HD2  . PHE   B 1 118 ? 24.429 6.257   -36.36  1   13.177 ? 130 PHE   B HD2  1 c 
ATOM   3721 H HE1  . PHE   B 1 118 ? 27.905 3.177   -36.935 1   13.424 ? 130 PHE   B HE1  1 c 
ATOM   3722 H HE2  . PHE   B 1 118 ? 25.137 5.635   -38.508 1   13.918 ? 130 PHE   B HE2  1 c 
ATOM   3723 H HZ   . PHE   B 1 118 ? 26.841 4.117   -38.763 1   14.033 ? 130 PHE   B HZ   1 c 
ATOM   3724 N N    . GLU   B 1 119 ? 24.375 7.824   -32.118 1   12.494 ? 131 GLU   B N    1 ? 
ATOM   3725 C CA   . GLU   B 1 119 ? 23.286 7.953   -31.174 1   12.661 ? 131 GLU   B CA   1 ? 
ATOM   3726 C C    . GLU   B 1 119 ? 22.019 7.525   -31.906 1   13.107 ? 131 GLU   B C    1 ? 
ATOM   3727 O O    . GLU   B 1 119 ? 21.734 8.019   -32.992 1   15.605 ? 131 GLU   B O    1 ? 
ATOM   3728 C CB   . GLU   B 1 119 ? 23.198 9.415   -30.71  1   12.709 ? 131 GLU   B CB   1 ? 
ATOM   3729 C CG   . GLU   B 1 119 ? 22.014 9.739   -29.814 1   12.81  ? 131 GLU   B CG   1 ? 
ATOM   3730 C CD   . GLU   B 1 119 ? 22.048 11.204  -29.404 1   13.956 ? 131 GLU   B CD   1 ? 
ATOM   3731 O OE1  . GLU   B 1 119 ? 22.852 11.553  -28.5   1   15.603 ? 131 GLU   B OE1  1 ? 
ATOM   3732 O OE2  . GLU   B 1 119 ? 21.291 12.001  -30.036 1   17.228 ? 131 GLU   B OE2  1 ? 
ATOM   3733 H H    . GLU   B 1 119 ? 24.409 8.403   -32.824 1   12.733 ? 131 GLU   B H    1 c 
ATOM   3734 H HA   . GLU   B 1 119 ? 23.449 7.356   -30.404 1   12.831 ? 131 GLU   B HA   1 c 
ATOM   3735 H HB2  . GLU   B 1 119 ? 24.021 9.639   -30.229 1   12.694 ? 131 GLU   B HB2  1 c 
ATOM   3736 H HB3  . GLU   B 1 119 ? 23.151 9.99    -31.502 1   12.816 ? 131 GLU   B HB3  1 c 
ATOM   3737 H HG2  . GLU   B 1 119 ? 21.176 9.557   -30.29  1   13.045 ? 131 GLU   B HG2  1 c 
ATOM   3738 H HG3  . GLU   B 1 119 ? 22.045 9.178   -29.009 1   13.094 ? 131 GLU   B HG3  1 c 
ATOM   3739 N N    . ILE   B 1 120 ? 21.294 6.569   -31.324 1   12.352 ? 132 ILE   B N    1 ? 
ATOM   3740 C CA   . ILE   B 1 120 ? 20.148 5.943   -31.964 1   11.872 ? 132 ILE   B CA   1 ? 
ATOM   3741 C C    . ILE   B 1 120 ? 18.96  6.013   -30.991 1   12.524 ? 132 ILE   B C    1 ? 
ATOM   3742 O O    . ILE   B 1 120 ? 19.087 5.614   -29.839 1   12.016 ? 132 ILE   B O    1 ? 
ATOM   3743 C CB   . ILE   B 1 120 ? 20.443 4.466   -32.281 1   10.628 ? 132 ILE   B CB   1 ? 
ATOM   3744 C CG1  . ILE   B 1 120 ? 21.7   4.292   -33.133 1   10.88  ? 132 ILE   B CG1  1 ? 
ATOM   3745 C CG2  . ILE   B 1 120 ? 19.215 3.762   -32.882 1   11.974 ? 132 ILE   B CG2  1 ? 
ATOM   3746 C CD1  . ILE   B 1 120 ? 22.102 2.834   -33.273 1   12.558 ? 132 ILE   B CD1  1 ? 
ATOM   3747 H H    . ILE   B 1 120 ? 21.524 6.294   -30.484 1   12.317 ? 132 ILE   B H    1 c 
ATOM   3748 H HA   . ILE   B 1 120 ? 19.93  6.417   -32.788 1   11.927 ? 132 ILE   B HA   1 c 
ATOM   3749 H HB   . ILE   B 1 120 ? 20.626 4.029   -31.426 1   11.063 ? 132 ILE   B HB   1 c 
ATOM   3750 H HG12 . ILE   B 1 120 ? 21.537 4.666   -34.023 1   11.069 ? 132 ILE   B HG12 1 c 
ATOM   3751 H HG13 . ILE   B 1 120 ? 22.437 4.788   -32.725 1   11.133 ? 132 ILE   B HG13 1 c 
ATOM   3752 H HG21 . ILE   B 1 120 ? 19.428 2.833   -33.068 1   11.645 ? 132 ILE   B HG21 1 c 
ATOM   3753 H HG22 . ILE   B 1 120 ? 18.958 4.205   -33.708 1   11.72  ? 132 ILE   B HG22 1 c 
ATOM   3754 H HG23 . ILE   B 1 120 ? 18.476 3.8     -32.253 1   11.769 ? 132 ILE   B HG23 1 c 
ATOM   3755 H HD11 . ILE   B 1 120 ? 22.248 2.45    -32.388 1   12.237 ? 132 ILE   B HD11 1 c 
ATOM   3756 H HD12 . ILE   B 1 120 ? 22.928 2.777   -33.79  1   12.255 ? 132 ILE   B HD12 1 c 
ATOM   3757 H HD13 . ILE   B 1 120 ? 21.401 2.333   -33.731 1   12.206 ? 132 ILE   B HD13 1 c 
ATOM   3758 N N    . GLU   B 1 121 ? 17.812 6.471   -31.496 1   12.701 ? 133 GLU   B N    1 ? 
ATOM   3759 C CA   . GLU   B 1 121 ? 16.537 6.374   -30.81  1   13.308 ? 133 GLU   B CA   1 ? 
ATOM   3760 C C    . GLU   B 1 121 ? 15.645 5.363   -31.509 1   12.962 ? 133 GLU   B C    1 ? 
ATOM   3761 O O    . GLU   B 1 121 ? 15.381 5.498   -32.693 1   13.881 ? 133 GLU   B O    1 ? 
ATOM   3762 C CB   . GLU   B 1 121 ? 15.872 7.744   -30.843 1   14.535 ? 133 GLU   B CB   1 ? 
ATOM   3763 C CG   . GLU   B 1 121 ? 14.503 7.76    -30.19  1   17.097 ? 133 GLU   B CG   1 ? 
ATOM   3764 C CD   . GLU   B 1 121 ? 13.859 9.154   -30.209 1   21.692 ? 133 GLU   B CD   1 ? 
ATOM   3765 O OE1  . GLU   B 1 121 ? 14.426 10.103  -30.744 1   24.084 ? 133 GLU   B OE1  1 ? 
ATOM   3766 O OE2  . GLU   B 1 121 ? 12.746 9.339   -29.693 1   24.389 ? 133 GLU   B OE2  1 ? 
ATOM   3767 H H    . GLU   B 1 121 ? 17.827 6.87    -32.318 1   12.727 ? 133 GLU   B H    1 c 
ATOM   3768 H HA   . GLU   B 1 121 ? 16.692 6.096   -29.875 1   13.309 ? 133 GLU   B HA   1 c 
ATOM   3769 H HB2  . GLU   B 1 121 ? 16.454 8.389   -30.39  1   14.607 ? 133 GLU   B HB2  1 c 
ATOM   3770 H HB3  . GLU   B 1 121 ? 15.783 8.028   -31.777 1   14.656 ? 133 GLU   B HB3  1 c 
ATOM   3771 H HG2  . GLU   B 1 121 ? 13.911 7.135   -30.658 1   16.966 ? 133 GLU   B HG2  1 c 
ATOM   3772 H HG3  . GLU   B 1 121 ? 14.584 7.462   -29.259 1   16.985 ? 133 GLU   B HG3  1 c 
ATOM   3773 N N    . LEU   B 1 122 ? 15.249 4.318   -30.79  1   13.087 ? 134 LEU   B N    1 ? 
ATOM   3774 C CA   . LEU   B 1 122 ? 14.354 3.302   -31.34  1   13.183 ? 134 LEU   B CA   1 ? 
ATOM   3775 C C    . LEU   B 1 122 ? 12.922 3.788   -31.186 1   13.863 ? 134 LEU   B C    1 ? 
ATOM   3776 O O    . LEU   B 1 122 ? 12.423 3.9     -30.071 1   16.535 ? 134 LEU   B O    1 ? 
ATOM   3777 C CB   . LEU   B 1 122 ? 14.582 1.932   -30.678 1   12.506 ? 134 LEU   B CB   1 ? 
ATOM   3778 C CG   . LEU   B 1 122 ? 13.65  0.815   -31.166 1   14.788 ? 134 LEU   B CG   1 ? 
ATOM   3779 C CD1  . LEU   B 1 122 ? 13.784 0.628   -32.646 1   15.838 ? 134 LEU   B CD1  1 ? 
ATOM   3780 C CD2  . LEU   B 1 122 ? 13.921 -0.487  -30.404 1   17.232 ? 134 LEU   B CD2  1 ? 
ATOM   3781 H H    . LEU   B 1 122 ? 15.541 4.226   -29.929 1   13.161 ? 134 LEU   B H    1 c 
ATOM   3782 H HA   . LEU   B 1 122 ? 14.549 3.221   -32.306 1   13.184 ? 134 LEU   B HA   1 c 
ATOM   3783 H HB2  . LEU   B 1 122 ? 15.513 1.658   -30.846 1   12.817 ? 134 LEU   B HB2  1 c 
ATOM   3784 H HB3  . LEU   B 1 122 ? 14.465 2.035   -29.706 1   12.91  ? 134 LEU   B HB3  1 c 
ATOM   3785 H HG   . LEU   B 1 122 ? 12.715 1.088   -30.976 1   14.882 ? 134 LEU   B HG   1 c 
ATOM   3786 H HD11 . LEU   B 1 122 ? 13.507 1.439   -33.105 1   15.621 ? 134 LEU   B HD11 1 c 
ATOM   3787 H HD12 . LEU   B 1 122 ? 13.22  -0.11   -32.932 1   15.589 ? 134 LEU   B HD12 1 c 
ATOM   3788 H HD13 . LEU   B 1 122 ? 14.709 0.432   -32.867 1   15.689 ? 134 LEU   B HD13 1 c 
ATOM   3789 H HD21 . LEU   B 1 122 ? 13.776 -0.345  -29.456 1   16.815 ? 134 LEU   B HD21 1 c 
ATOM   3790 H HD22 . LEU   B 1 122 ? 14.841 -0.764  -30.552 1   16.681 ? 134 LEU   B HD22 1 c 
ATOM   3791 H HD23 . LEU   B 1 122 ? 13.32  -1.181  -30.723 1   16.654 ? 134 LEU   B HD23 1 c 
ATOM   3792 N N    . LEU   B 1 123 ? 12.277 4.134   -32.293 1   15.914 ? 135 LEU   B N    1 ? 
ATOM   3793 C CA   . LEU   B 1 123 ? 10.954 4.752   -32.252 1   17.787 ? 135 LEU   B CA   1 ? 
ATOM   3794 C C    . LEU   B 1 123 ? 9.893  3.672   -32.133 1   17.104 ? 135 LEU   B C    1 ? 
ATOM   3795 O O    . LEU   B 1 123 ? 8.909  3.843   -31.364 1   17.116 ? 135 LEU   B O    1 ? 
ATOM   3796 C CB   . LEU   B 1 123 ? 10.684 5.589   -33.493 1   18.944 ? 135 LEU   B CB   1 ? 
ATOM   3797 C CG   . LEU   B 1 123 ? 11.681 6.706   -33.732 1   22.143 ? 135 LEU   B CG   1 ? 
ATOM   3798 C CD1  . LEU   B 1 123 ? 11.532 7.235   -35.146 1   24.769 ? 135 LEU   B CD1  1 ? 
ATOM   3799 C CD2  . LEU   B 1 123 ? 11.499 7.789   -32.708 1   24.479 ? 135 LEU   B CD2  1 ? 
ATOM   3800 H H    . LEU   B 1 123 ? 12.667 3.983   -33.106 1   15.612 ? 135 LEU   B H    1 c 
ATOM   3801 H HA   . LEU   B 1 123 ? 10.904 5.333   -31.451 1   17.602 ? 135 LEU   B HA   1 c 
ATOM   3802 H HB2  . LEU   B 1 123 ? 10.686 4.992   -34.276 1   18.931 ? 135 LEU   B HB2  1 c 
ATOM   3803 H HB3  . LEU   B 1 123 ? 9.785  5.983   -33.411 1   19.067 ? 135 LEU   B HB3  1 c 
ATOM   3804 H HG   . LEU   B 1 123 ? 12.596 6.335   -33.634 1   22.154 ? 135 LEU   B HG   1 c 
ATOM   3805 H HD11 . LEU   B 1 123 ? 11.685 6.514   -35.78  1   24.282 ? 135 LEU   B HD11 1 c 
ATOM   3806 H HD12 . LEU   B 1 123 ? 12.18  7.942   -35.298 1   24.22  ? 135 LEU   B HD12 1 c 
ATOM   3807 H HD13 . LEU   B 1 123 ? 10.634 7.587   -35.269 1   24.236 ? 135 LEU   B HD13 1 c 
ATOM   3808 H HD21 . LEU   B 1 123 ? 11.657 7.429   -31.82  1   23.936 ? 135 LEU   B HD21 1 c 
ATOM   3809 H HD22 . LEU   B 1 123 ? 10.593 8.136   -32.76  1   23.92  ? 135 LEU   B HD22 1 c 
ATOM   3810 H HD23 . LEU   B 1 123 ? 12.13  8.508   -32.882 1   24.04  ? 135 LEU   B HD23 1 c 
ATOM   3811 N N    . ASP   B 1 124 ? 10.058 2.607   -32.942 1   16.311 ? 136 ASP   B N    1 ? 
ATOM   3812 C CA   . ASP   B 1 124 ? 9.048  1.568   -32.985 1   16.474 ? 136 ASP   B CA   1 ? 
ATOM   3813 C C    . ASP   B 1 124 ? 9.615  0.361   -33.682 1   14.72  ? 136 ASP   B C    1 ? 
ATOM   3814 O O    . ASP   B 1 124 ? 10.659 0.45    -34.332 1   15.581 ? 136 ASP   B O    1 ? 
ATOM   3815 C CB   . ASP   B 1 124 ? 7.796  2.055   -33.696 1   19.156 ? 136 ASP   B CB   1 ? 
ATOM   3816 C CG   . ASP   B 1 124 ? 6.502  1.301   -33.413 1   22.682 ? 136 ASP   B CG   1 ? 
ATOM   3817 O OD1  . ASP   B 1 124 ? 6.477  0.41    -32.545 1   23.58  ? 136 ASP   B OD1  1 ? 
ATOM   3818 O OD2  . ASP   B 1 124 ? 5.501  1.633   -34.076 1   29.218 ? 136 ASP   B OD2  1 ? 
ATOM   3819 H H    . ASP   B 1 124 ? 10.8   2.537   -33.471 1   16.719 ? 136 ASP   B H    1 c 
ATOM   3820 H HA   . ASP   B 1 124 ? 8.816  1.321   -32.061 1   16.507 ? 136 ASP   B HA   1 c 
ATOM   3821 H HB2  . ASP   B 1 124 ? 7.644  2.994   -33.463 1   18.979 ? 136 ASP   B HB2  1 c 
ATOM   3822 H HB3  . ASP   B 1 124 ? 7.956  2.015   -34.662 1   19.065 ? 136 ASP   B HB3  1 c 
ATOM   3823 N N    . PHE   B 1 125 ? 8.93   -0.76   -33.558 1   15.514 ? 137 PHE   B N    1 ? 
ATOM   3824 C CA   . PHE   B 1 125 ? 9.236  -1.94   -34.361 1   15.109 ? 137 PHE   B CA   1 ? 
ATOM   3825 C C    . PHE   B 1 125 ? 7.978  -2.778  -34.467 1   15.72  ? 137 PHE   B C    1 ? 
ATOM   3826 O O    . PHE   B 1 125 ? 7.124  -2.83   -33.539 1   17.949 ? 137 PHE   B O    1 ? 
ATOM   3827 C CB   . PHE   B 1 125 ? 10.424 -2.762  -33.812 1   15.673 ? 137 PHE   B CB   1 ? 
ATOM   3828 C CG   . PHE   B 1 125 ? 10.269 -3.236  -32.372 1   16.374 ? 137 PHE   B CG   1 ? 
ATOM   3829 C CD1  . PHE   B 1 125 ? 10.762 -2.458  -31.327 1   17.952 ? 137 PHE   B CD1  1 ? 
ATOM   3830 C CD2  . PHE   B 1 125 ? 9.677  -4.466  -32.054 1   19.059 ? 137 PHE   B CD2  1 ? 
ATOM   3831 C CE1  . PHE   B 1 125 ? 10.649 -2.879  -29.999 1   19.233 ? 137 PHE   B CE1  1 ? 
ATOM   3832 C CE2  . PHE   B 1 125 ? 9.583  -4.88   -30.722 1   19.066 ? 137 PHE   B CE2  1 ? 
ATOM   3833 C CZ   . PHE   B 1 125 ? 10.11  -4.101  -29.706 1   18.842 ? 137 PHE   B CZ   1 ? 
ATOM   3834 H H    . PHE   B 1 125 ? 8.249  -0.805  -32.95  1   14.901 ? 137 PHE   B H    1 c 
ATOM   3835 H HA   . PHE   B 1 125 ? 9.476  -1.629  -35.272 1   15.759 ? 137 PHE   B HA   1 c 
ATOM   3836 H HB2  . PHE   B 1 125 ? 10.551 -3.547  -34.39  1   15.762 ? 137 PHE   B HB2  1 c 
ATOM   3837 H HB3  . PHE   B 1 125 ? 11.236 -2.212  -33.876 1   15.826 ? 137 PHE   B HB3  1 c 
ATOM   3838 H HD1  . PHE   B 1 125 ? 11.173 -1.63   -31.521 1   18.006 ? 137 PHE   B HD1  1 c 
ATOM   3839 H HD2  . PHE   B 1 125 ? 9.348  -5.02   -32.743 1   18.426 ? 137 PHE   B HD2  1 c 
ATOM   3840 H HE1  . PHE   B 1 125 ? 10.993 -2.339  -29.305 1   18.82  ? 137 PHE   B HE1  1 c 
ATOM   3841 H HE2  . PHE   B 1 125 ? 9.185  -5.711  -30.518 1   19.093 ? 137 PHE   B HE2  1 c 
ATOM   3842 H HZ   . PHE   B 1 125 ? 10.025 -4.377  -28.806 1   18.963 ? 137 PHE   B HZ   1 c 
ATOM   3843 N N    . LYS   B 1 126 ? 7.824  -3.379  -35.637 1   17.39  ? 138 LYS   B N    1 ? 
ATOM   3844 C CA   . LYS   B 1 126 ? 6.622  -4.115  -35.973 1   20.424 ? 138 LYS   B CA   1 ? 
ATOM   3845 C C    . LYS   B 1 126 ? 7.027  -5.398  -36.666 1   20.518 ? 138 LYS   B C    1 ? 
ATOM   3846 O O    . LYS   B 1 126 ? 7.965  -5.442  -37.442 1   21.386 ? 138 LYS   B O    1 ? 
ATOM   3847 C CB   . LYS   B 1 126 ? 5.73   -3.277  -36.898 1   23.33  ? 138 LYS   B CB   1 ? 
ATOM   3848 C CG   . LYS   B 1 126 ? 5.359  -1.866  -36.459 1   30.9   ? 138 LYS   B CG   1 ? 
ATOM   3849 H H    . LYS   B 1 126 ? 8.496  -3.332  -36.255 1   17.654 ? 138 LYS   B H    1 c 
ATOM   3850 H HA   . LYS   B 1 126 ? 6.132  -4.334  -35.141 1   20.456 ? 138 LYS   B HA   1 c 
ATOM   3851 H HB2  . LYS   B 1 126 ? 6.18   -3.21   -37.768 1   23.832 ? 138 LYS   B HB2  1 c 
ATOM   3852 H HB3  . LYS   B 1 126 ? 4.897  -3.774  -37.041 1   23.614 ? 138 LYS   B HB3  1 c 
ATOM   3853 H HG2  . LYS   B 1 126 ? 6.207  -1.371  -36.301 0   30.85  ? 138 LYS   B HG2  1 c 
ATOM   3854 H HG3  . LYS   B 1 126 ? 4.396  -1.791  -36.433 0   30.85  ? 138 LYS   B HG3  1 c 
ATOM   3855 N N    . GLY   B 1 127 ? 6.307  -6.469  -36.395 1   24.516 ? 139 GLY   B N    1 ? 
ATOM   3856 C CA   . GLY   B 1 127 ? 6.615  -7.753  -37.001 1   27.829 ? 139 GLY   B CA   1 ? 
ATOM   3857 C C    . GLY   B 1 127 ? 6.287  -7.757  -38.489 1   33.712 ? 139 GLY   B C    1 ? 
ATOM   3858 O O    . GLY   B 1 127 ? 5.347  -7.087  -38.885 1   33.533 ? 139 GLY   B O    1 ? 
ATOM   3859 H H    . GLY   B 1 127 ? 5.601  -6.409  -35.818 1   23.697 ? 139 GLY   B H    1 c 
ATOM   3860 H HA2  . GLY   B 1 127 ? 7.571  -7.95   -36.873 1   27.775 ? 139 GLY   B HA2  1 c 
ATOM   3861 H HA3  . GLY   B 1 127 ? 6.096  -8.456  -36.547 1   27.888 ? 139 GLY   B HA3  1 c 
ATOM   3862 N N    . GLU   B 1 128 ? 7.085  -8.483  -39.294 1   41.256 ? 140 GLU   B N    1 ? 
ATOM   3863 C CA   . GLU   B 1 128 ? 6.828  -8.598  -40.719 1   48.568 ? 140 GLU   B CA   1 ? 
ATOM   3864 C C    . GLU   B 1 128 ? 5.613  -9.521  -40.893 1   53.422 ? 140 GLU   B C    1 ? 
ATOM   3865 O O    . GLU   B 1 128 ? 5.763  -10.705 -40.536 1   63.945 ? 140 GLU   B O    1 ? 
ATOM   3866 C CB   . GLU   B 1 128 ? 8.047  -9.149  -41.456 1   50.603 ? 140 GLU   B CB   1 ? 
ATOM   3867 O OXT  . GLU   B 1 128 ? 4.569  -9.04   -41.364 1   53.572 ? 140 GLU   B OXT  1 ? 
ATOM   3868 H H    . GLU   B 1 128 ? 7.804  -8.921  -38.937 1   40.504 ? 140 GLU   B H    1 c 
ATOM   3869 H HA   . GLU   B 1 128 ? 6.606  -7.7    -41.075 1   47.852 ? 140 GLU   B HA   1 c 
ATOM   3870 H HB2  . GLU   B 1 128 ? 8.879  -8.788  -40.99  0   50.99  ? 140 GLU   B HB2  1 c 
ATOM   3871 H HB3  . GLU   B 1 128 ? 7.779  -9.668  -42.201 0   50.99  ? 140 GLU   B HB3  1 c 
ATOM   3872 N N    . GLY   C 1 1   ? 3.34   37.619  -36.813 1   32.329 ? 13  GLY   C N    1 ? 
ATOM   3873 C CA   . GLY   C 1 1   ? 4.786  37.741  -36.536 1   29.537 ? 13  GLY   C CA   1 ? 
ATOM   3874 C C    . GLY   C 1 1   ? 5.503  36.4    -36.653 1   29.362 ? 13  GLY   C C    1 ? 
ATOM   3875 O O    . GLY   C 1 1   ? 4.994  35.435  -37.225 1   30.343 ? 13  GLY   C O    1 ? 
ATOM   3876 H H1   . GLY   C 1 1   ? 2.945  38.432  -36.761 1   32.096 ? 13  GLY   C H1   1 c 
ATOM   3877 H H2   . GLY   C 1 1   ? 2.955  37.066  -36.209 1   32.237 ? 13  GLY   C H2   1 c 
ATOM   3878 H H3   . GLY   C 1 1   ? 3.21   37.282  -37.643 1   31.892 ? 13  GLY   C H3   1 c 
ATOM   3879 H HA2  . GLY   C 1 1   ? 5.181  38.379  -37.174 1   30.106 ? 13  GLY   C HA2  1 c 
ATOM   3880 H HA3  . GLY   C 1 1   ? 4.91   38.103  -35.627 1   30.238 ? 13  GLY   C HA3  1 c 
ATOM   3881 N N    . ALA   C 1 2   ? 6.691  36.359  -36.047 1   27.35  ? 14  ALA   C N    1 ? 
ATOM   3882 C CA   . ALA   C 1 2   ? 7.501  35.16   -36.004 1   24.618 ? 14  ALA   C CA   1 ? 
ATOM   3883 C C    . ALA   C 1 2   ? 6.699  33.943  -35.531 1   23.198 ? 14  ALA   C C    1 ? 
ATOM   3884 O O    . ALA   C 1 2   ? 6.821  32.861  -36.113 1   23.129 ? 14  ALA   C O    1 ? 
ATOM   3885 C CB   . ALA   C 1 2   ? 8.706  35.412  -35.126 1   24.31  ? 14  ALA   C CB   1 ? 
ATOM   3886 H H    . ALA   C 1 2   ? 7.008  37.115  -35.643 1   27.189 ? 14  ALA   C H    1 c 
ATOM   3887 H HA   . ALA   C 1 2   ? 7.816  34.973  -36.931 1   24.708 ? 14  ALA   C HA   1 c 
ATOM   3888 H HB1  . ALA   C 1 2   ? 9.229  36.144  -35.493 1   24.387 ? 14  ALA   C HB1  1 c 
ATOM   3889 H HB2  . ALA   C 1 2   ? 8.42   35.644  -34.229 1   24.322 ? 14  ALA   C HB2  1 c 
ATOM   3890 H HB3  . ALA   C 1 2   ? 9.257  34.612  -35.09  1   24.455 ? 14  ALA   C HB3  1 c 
ATOM   3891 N N    . PRO   C 1 3   ? 5.923  34.002  -34.416 1   24.179 ? 15  PRO   C N    1 ? 
ATOM   3892 C CA   . PRO   C 1 3   ? 5.223  32.799  -33.955 1   24.543 ? 15  PRO   C CA   1 ? 
ATOM   3893 C C    . PRO   C 1 3   ? 4.286  32.231  -35.022 1   25.824 ? 15  PRO   C C    1 ? 
ATOM   3894 O O    . PRO   C 1 3   ? 4.272  31.029  -35.289 1   25.013 ? 15  PRO   C O    1 ? 
ATOM   3895 C CB   . PRO   C 1 3   ? 4.52   33.26   -32.677 1   24.67  ? 15  PRO   C CB   1 ? 
ATOM   3896 C CG   . PRO   C 1 3   ? 5.414  34.396  -32.192 1   24.136 ? 15  PRO   C CG   1 ? 
ATOM   3897 C CD   . PRO   C 1 3   ? 5.815  35.12   -33.455 1   26.476 ? 15  PRO   C CD   1 ? 
ATOM   3898 H HA   . PRO   C 1 3   ? 5.886  32.117  -33.72  1   24.744 ? 15  PRO   C HA   1 c 
ATOM   3899 H HB2  . PRO   C 1 3   ? 3.617  33.579  -32.868 1   24.72  ? 15  PRO   C HB2  1 c 
ATOM   3900 H HB3  . PRO   C 1 3   ? 4.477  32.539  -32.019 1   24.7   ? 15  PRO   C HB3  1 c 
ATOM   3901 H HG2  . PRO   C 1 3   ? 4.926  34.993  -31.591 1   24.581 ? 15  PRO   C HG2  1 c 
ATOM   3902 H HG3  . PRO   C 1 3   ? 6.201  34.049  -31.726 1   24.553 ? 15  PRO   C HG3  1 c 
ATOM   3903 H HD2  . PRO   C 1 3   ? 5.133  35.76   -33.737 1   25.683 ? 15  PRO   C HD2  1 c 
ATOM   3904 H HD3  . PRO   C 1 3   ? 6.667  35.578  -33.348 1   25.787 ? 15  PRO   C HD3  1 c 
ATOM   3905 N N    . ALA   C 1 4   ? 3.508  33.125  -35.643 1   31.083 ? 16  ALA   C N    1 ? 
ATOM   3906 C CA   . ALA   C 1 4   ? 2.548  32.727  -36.654 1   32.305 ? 16  ALA   C CA   1 ? 
ATOM   3907 C C    . ALA   C 1 4   ? 3.252  32.067  -37.841 1   32.696 ? 16  ALA   C C    1 ? 
ATOM   3908 O O    . ALA   C 1 4   ? 2.721  31.119  -38.43  1   31.561 ? 16  ALA   C O    1 ? 
ATOM   3909 C CB   . ALA   C 1 4   ? 1.715  33.922  -37.065 1   35.692 ? 16  ALA   C CB   1 ? 
ATOM   3910 H H    . ALA   C 1 4   ? 3.577  34.01   -35.424 1   30.234 ? 16  ALA   C H    1 c 
ATOM   3911 H HA   . ALA   C 1 4   ? 1.944  32.047  -36.245 1   32.683 ? 16  ALA   C HA   1 c 
ATOM   3912 H HB1  . ALA   C 1 4   ? 1.239  34.271  -36.293 1   35.017 ? 16  ALA   C HB1  1 c 
ATOM   3913 H HB2  . ALA   C 1 4   ? 2.294  34.615  -37.425 1   35.041 ? 16  ALA   C HB2  1 c 
ATOM   3914 H HB3  . ALA   C 1 4   ? 1.074  33.655  -37.745 1   35.144 ? 16  ALA   C HB3  1 c 
ATOM   3915 N N    . THR   C 1 5   ? 4.44   32.563  -38.209 1   30.121 ? 17  THR   C N    1 ? 
ATOM   3916 C CA   . THR   C 1 5   ? 5.173  31.972  -39.314 1   28.052 ? 17  THR   C CA   1 ? 
ATOM   3917 C C    . THR   C 1 5   ? 5.549  30.527  -38.981 1   24.624 ? 17  THR   C C    1 ? 
ATOM   3918 O O    . THR   C 1 5   ? 5.515  29.633  -39.839 1   28.687 ? 17  THR   C O    1 ? 
ATOM   3919 C CB   . THR   C 1 5   ? 6.398  32.826  -39.647 1   32.921 ? 17  THR   C CB   1 ? 
ATOM   3920 O OG1  . THR   C 1 5   ? 5.839  34.067  -40.079 1   35.051 ? 17  THR   C OG1  1 ? 
ATOM   3921 C CG2  . THR   C 1 5   ? 7.234  32.271  -40.786 1   33.122 ? 17  THR   C CG2  1 ? 
ATOM   3922 H H    . THR   C 1 5   ? 4.795  33.281  -37.769 1   30.211 ? 17  THR   C H    1 c 
ATOM   3923 H HA   . THR   C 1 5   ? 4.584  31.965  -40.099 1   28.298 ? 17  THR   C HA   1 c 
ATOM   3924 H HB   . THR   C 1 5   ? 6.955  32.967  -38.844 1   32.608 ? 17  THR   C HB   1 c 
ATOM   3925 H HG1  . THR   C 1 5   ? 5.34   33.936  -40.77  0   34.84  ? 17  THR   C HG1  1 c 
ATOM   3926 H HG21 . THR   C 1 5   ? 7.988  32.861  -40.952 1   33.1   ? 17  THR   C HG21 1 c 
ATOM   3927 H HG22 . THR   C 1 5   ? 6.689  32.208  -41.588 1   33.086 ? 17  THR   C HG22 1 c 
ATOM   3928 H HG23 . THR   C 1 5   ? 7.562  31.389  -40.549 1   33.044 ? 17  THR   C HG23 1 c 
ATOM   3929 N N    . VAL   C 1 6   ? 5.93   30.293  -37.73  1   20.701 ? 18  VAL   C N    1 ? 
ATOM   3930 C CA   . VAL   C 1 6   ? 6.281  28.944  -37.31  1   19.962 ? 18  VAL   C CA   1 ? 
ATOM   3931 C C    . VAL   C 1 6   ? 5.036  28.039  -37.383 1   21.092 ? 18  VAL   C C    1 ? 
ATOM   3932 O O    . VAL   C 1 6   ? 5.131  26.929  -37.893 1   23.517 ? 18  VAL   C O    1 ? 
ATOM   3933 C CB   . VAL   C 1 6   ? 6.941  28.874  -35.924 1   22.311 ? 18  VAL   C CB   1 ? 
ATOM   3934 C CG1  . VAL   C 1 6   ? 7.242  27.419  -35.552 1   22.869 ? 18  VAL   C CG1  1 ? 
ATOM   3935 C CG2  . VAL   C 1 6   ? 8.193  29.725  -35.844 1   22.892 ? 18  VAL   C CG2  1 ? 
ATOM   3936 H H    . VAL   C 1 6   ? 5.975  30.977  -37.125 1   21.251 ? 18  VAL   C H    1 c 
ATOM   3937 H HA   . VAL   C 1 6   ? 6.928  28.6    -37.955 1   20.511 ? 18  VAL   C HA   1 c 
ATOM   3938 H HB   . VAL   C 1 6   ? 6.291  29.227  -35.273 1   22.157 ? 18  VAL   C HB   1 c 
ATOM   3939 H HG11 . VAL   C 1 6   ? 7.818  27.024  -36.227 1   22.732 ? 18  VAL   C HG11 1 c 
ATOM   3940 H HG12 . VAL   C 1 6   ? 6.413  26.916  -35.499 1   22.725 ? 18  VAL   C HG12 1 c 
ATOM   3941 H HG13 . VAL   C 1 6   ? 7.691  27.392  -34.689 1   22.56  ? 18  VAL   C HG13 1 c 
ATOM   3942 H HG21 . VAL   C 1 6   ? 8.581  29.648  -34.956 1   22.751 ? 18  VAL   C HG21 1 c 
ATOM   3943 H HG22 . VAL   C 1 6   ? 7.968  30.653  -36.018 1   22.727 ? 18  VAL   C HG22 1 c 
ATOM   3944 H HG23 . VAL   C 1 6   ? 8.836  29.419  -36.505 1   22.689 ? 18  VAL   C HG23 1 c 
ATOM   3945 N N    . THR   C 1 7   ? 3.874  28.525  -36.912 1   24.493 ? 19  THR   C N    1 ? 
ATOM   3946 C CA   . THR   C 1 7   ? 2.638  27.759  -37.009 1   25.479 ? 19  THR   C CA   1 ? 
ATOM   3947 C C    . THR   C 1 7   ? 2.389  27.342  -38.453 1   27.571 ? 19  THR   C C    1 ? 
ATOM   3948 O O    . THR   C 1 7   ? 2.064  26.175  -38.705 1   27.094 ? 19  THR   C O    1 ? 
ATOM   3949 C CB   . THR   C 1 7   ? 1.442  28.579  -36.503 1   27.193 ? 19  THR   C CB   1 ? 
ATOM   3950 O OG1  . THR   C 1 7   ? 1.637  28.674  -35.102 1   27.637 ? 19  THR   C OG1  1 ? 
ATOM   3951 C CG2  . THR   C 1 7   ? 0.102  27.911  -36.761 1   28.91  ? 19  THR   C CG2  1 ? 
ATOM   3952 H H    . THR   C 1 7   ? 3.855  29.35   -36.517 1   23.787 ? 19  THR   C H    1 c 
ATOM   3953 H HA   . THR   C 1 7   ? 2.726  26.953  -36.455 1   25.941 ? 19  THR   C HA   1 c 
ATOM   3954 H HB   . THR   C 1 7   ? 1.451  29.482  -36.902 1   27.535 ? 19  THR   C HB   1 c 
ATOM   3955 H HG1  . THR   C 1 7   ? 1.65   27.882  -34.756 0   27.61  ? 19  THR   C HG1  1 c 
ATOM   3956 H HG21 . THR   C 1 7   ? -0.609 28.454  -36.38  1   28.996 ? 19  THR   C HG21 1 c 
ATOM   3957 H HG22 . THR   C 1 7   ? 0.093  27.031  -36.349 1   28.97  ? 19  THR   C HG22 1 c 
ATOM   3958 H HG23 . THR   C 1 7   ? -0.041 27.821  -37.718 1   28.884 ? 19  THR   C HG23 1 c 
ATOM   3959 N N    . GLU   C 1 8   ? 2.523  28.313  -39.377 1   30.294 ? 20  GLU   C N    1 ? 
ATOM   3960 C CA   . GLU   C 1 8   ? 2.111  28.135  -40.764 1   33.297 ? 20  GLU   C CA   1 ? 
ATOM   3961 C C    . GLU   C 1 8   ? 3.096  27.2    -41.461 1   33.653 ? 20  GLU   C C    1 ? 
ATOM   3962 O O    . GLU   C 1 8   ? 2.634  26.277  -42.143 1   34.346 ? 20  GLU   C O    1 ? 
ATOM   3963 C CB   . GLU   C 1 8   ? 1.899  29.435  -41.548 1   33.739 ? 20  GLU   C CB   1 ? 
ATOM   3964 H H    . GLU   C 1 8   ? 2.886  29.115  -39.129 1   29.892 ? 20  GLU   C H    1 c 
ATOM   3965 H HA   . GLU   C 1 8   ? 1.233  27.675  -40.749 1   32.744 ? 20  GLU   C HA   1 c 
ATOM   3966 H HB2  . GLU   C 1 8   ? 2.776  29.81   -41.784 0   33.75  ? 20  GLU   C HB2  1 c 
ATOM   3967 H HB3  . GLU   C 1 8   ? 0.938  29.585  -41.648 0   33.75  ? 20  GLU   C HB3  1 c 
ATOM   3968 N N    . GLN   C 1 9   ? 4.411  27.421  -41.261 1   33.155 ? 21  GLN   C N    1 ? 
ATOM   3969 C CA   . GLN   C 1 9   ? 5.401  26.773  -42.118 1   35.109 ? 21  GLN   C CA   1 ? 
ATOM   3970 C C    . GLN   C 1 9   ? 6.493  26.036  -41.333 1   28.403 ? 21  GLN   C C    1 ? 
ATOM   3971 O O    . GLN   C 1 9   ? 7.42   25.488  -41.922 1   30.629 ? 21  GLN   C O    1 ? 
ATOM   3972 C CB   . GLN   C 1 9   ? 6.068  27.74   -43.11  1   41.771 ? 21  GLN   C CB   1 ? 
ATOM   3973 C CG   . GLN   C 1 9   ? 6.768  28.935  -42.482 1   45.075 ? 21  GLN   C CG   1 ? 
ATOM   3974 C CD   . GLN   C 1 9   ? 7.378  29.841  -43.527 1   51.96  ? 21  GLN   C CD   1 ? 
ATOM   3975 O OE1  . GLN   C 1 9   ? 6.659  30.352  -44.386 1   52.199 ? 21  GLN   C OE1  1 ? 
ATOM   3976 N NE2  . GLN   C 1 9   ? 8.691  30.062  -43.465 1   57.723 ? 21  GLN   C NE2  1 ? 
ATOM   3977 H H    . GLN   C 1 9   ? 4.69   27.989  -40.602 1   33.199 ? 21  GLN   C H    1 c 
ATOM   3978 H HA   . GLN   C 1 9   ? 4.926  26.095  -42.662 1   34.437 ? 21  GLN   C HA   1 c 
ATOM   3979 H HB2  . GLN   C 1 9   ? 6.721  27.238  -43.641 1   40.762 ? 21  GLN   C HB2  1 c 
ATOM   3980 H HB3  . GLN   C 1 9   ? 5.381  28.069  -43.727 1   41.04  ? 21  GLN   C HB3  1 c 
ATOM   3981 H HG2  . GLN   C 1 9   ? 6.122  29.45   -41.958 1   45.164 ? 21  GLN   C HG2  1 c 
ATOM   3982 H HG3  . GLN   C 1 9   ? 7.469  28.62   -41.876 1   45.123 ? 21  GLN   C HG3  1 c 
ATOM   3983 H HE21 . GLN   C 1 9   ? 9.08   30.586  -44.066 1   55.789 ? 21  GLN   C HE21 1 c 
ATOM   3984 H HE22 . GLN   C 1 9   ? 9.177  29.688  -42.824 1   56.593 ? 21  GLN   C HE22 1 c 
ATOM   3985 N N    . GLY   C 1 10  ? 6.414  25.996  -40.007 1   25.22  ? 22  GLY   C N    1 ? 
ATOM   3986 C CA   . GLY   C 1 10  ? 7.414  25.285  -39.21  1   24.12  ? 22  GLY   C CA   1 ? 
ATOM   3987 C C    . GLY   C 1 10  ? 7.364  23.77   -39.415 1   24.392 ? 22  GLY   C C    1 ? 
ATOM   3988 O O    . GLY   C 1 10  ? 6.311  23.198  -39.663 1   26.126 ? 22  GLY   C O    1 ? 
ATOM   3989 H H    . GLY   C 1 10  ? 5.722  26.411  -39.578 1   25.663 ? 22  GLY   C H    1 c 
ATOM   3990 H HA2  . GLY   C 1 10  ? 8.31   25.618  -39.454 1   24.411 ? 22  GLY   C HA2  1 c 
ATOM   3991 H HA3  . GLY   C 1 10  ? 7.267  25.489  -38.257 1   24.265 ? 22  GLY   C HA3  1 c 
ATOM   3992 N N    . GLU   C 1 11  ? 8.527  23.125  -39.35  1   25.139 ? 23  GLU   C N    1 ? 
ATOM   3993 C CA   . GLU   C 1 11  ? 8.634  21.68   -39.403 1   24.935 ? 23  GLU   C CA   1 ? 
ATOM   3994 C C    . GLU   C 1 11  ? 8.296  21.071  -38.043 1   21.524 ? 23  GLU   C C    1 ? 
ATOM   3995 O O    . GLU   C 1 11  ? 8.761  21.562  -37.01  1   22.334 ? 23  GLU   C O    1 ? 
ATOM   3996 C CB   . GLU   C 1 11  ? 10.06  21.389  -39.848 1   27.91  ? 23  GLU   C CB   1 ? 
ATOM   3997 C CG   . GLU   C 1 11  ? 10.398 19.901  -39.897 1   37.674 ? 23  GLU   C CG   1 ? 
ATOM   3998 C CD   . GLU   C 1 11  ? 11.878 19.605  -40.1   1   47.019 ? 23  GLU   C CD   1 ? 
ATOM   3999 O OE1  . GLU   C 1 11  ? 12.627 20.551  -40.492 1   54.691 ? 23  GLU   C OE1  1 ? 
ATOM   4000 O OE2  . GLU   C 1 11  ? 12.277 18.429  -39.839 1   55.252 ? 23  GLU   C OE2  1 ? 
ATOM   4001 H H    . GLU   C 1 11  ? 9.294  23.614  -39.265 1   24.986 ? 23  GLU   C H    1 c 
ATOM   4002 H HA   . GLU   C 1 11  ? 7.999  21.338  -40.084 1   24.536 ? 23  GLU   C HA   1 c 
ATOM   4003 H HB2  . GLU   C 1 11  ? 10.198 21.776  -40.737 1   28.48  ? 23  GLU   C HB2  1 c 
ATOM   4004 H HB3  . GLU   C 1 11  ? 10.679 21.832  -39.23  1   28.215 ? 23  GLU   C HB3  1 c 
ATOM   4005 H HG2  . GLU   C 1 11  ? 10.111 19.478  -39.061 1   36.083 ? 23  GLU   C HG2  1 c 
ATOM   4006 H HG3  . GLU   C 1 11  ? 9.895  19.484  -40.628 1   36.101 ? 23  GLU   C HG3  1 c 
ATOM   4007 N N    . ASP   C 1 12  ? 7.545  19.967  -38.071 1   21.777 ? 24  ASP   C N    1 ? 
ATOM   4008 C CA   . ASP   C 1 12  ? 7.245  19.2    -36.869 1   22.788 ? 24  ASP   C CA   1 ? 
ATOM   4009 C C    . ASP   C 1 12  ? 8.421  18.267  -36.563 1   22.596 ? 24  ASP   C C    1 ? 
ATOM   4010 O O    . ASP   C 1 12  ? 8.666  17.281  -37.281 1   24.51  ? 24  ASP   C O    1 ? 
ATOM   4011 C CB   . ASP   C 1 12  ? 5.952  18.428  -37.05  1   21.848 ? 24  ASP   C CB   1 ? 
ATOM   4012 C CG   . ASP   C 1 12  ? 5.499  17.611  -35.859 1   23.867 ? 24  ASP   C CG   1 ? 
ATOM   4013 O OD1  . ASP   C 1 12  ? 6.237  17.584  -34.828 1   24.483 ? 24  ASP   C OD1  1 ? 
ATOM   4014 O OD2  . ASP   C 1 12  ? 4.387  17.025  -35.971 1   27.218 ? 24  ASP   C OD2  1 ? 
ATOM   4015 H H    . ASP   C 1 12  ? 7.207  19.679  -38.87  1   21.944 ? 24  ASP   C H    1 c 
ATOM   4016 H HA   . ASP   C 1 12  ? 7.129  19.824  -36.119 1   22.51  ? 24  ASP   C HA   1 c 
ATOM   4017 H HB2  . ASP   C 1 12  ? 5.239  19.062  -37.271 1   22.164 ? 24  ASP   C HB2  1 c 
ATOM   4018 H HB3  . ASP   C 1 12  ? 6.059  17.819  -37.81  1   22.153 ? 24  ASP   C HB3  1 c 
ATOM   4019 N N    . ILE   C 1 13  ? 9.134  18.569  -35.476 1   21.747 ? 25  ILE   C N    1 ? 
ATOM   4020 C CA   . ILE   C 1 13  ? 10.329 17.811  -35.137 1   21.346 ? 25  ILE   C CA   1 ? 
ATOM   4021 C C    . ILE   C 1 13  ? 10.084 16.803  -34.01  1   23.41  ? 25  ILE   C C    1 ? 
ATOM   4022 O O    . ILE   C 1 13  ? 11.042 16.233  -33.463 1   23.991 ? 25  ILE   C O    1 ? 
ATOM   4023 C CB   . ILE   C 1 13  ? 11.506 18.74   -34.823 1   20.262 ? 25  ILE   C CB   1 ? 
ATOM   4024 C CG1  . ILE   C 1 13  ? 11.21  19.635  -33.634 1   19.605 ? 25  ILE   C CG1  1 ? 
ATOM   4025 C CG2  . ILE   C 1 13  ? 11.927 19.51   -36.078 1   22.77  ? 25  ILE   C CG2  1 ? 
ATOM   4026 C CD1  . ILE   C 1 13  ? 12.43  20.395  -33.128 1   21.404 ? 25  ILE   C CD1  1 ? 
ATOM   4027 H H    . ILE   C 1 13  ? 8.867  19.252  -34.93  1   21.718 ? 25  ILE   C H    1 c 
ATOM   4028 H HA   . ILE   C 1 13  ? 10.579 17.299  -35.929 1   21.306 ? 25  ILE   C HA   1 c 
ATOM   4029 H HB   . ILE   C 1 13  ? 12.26  18.171  -34.57  1   20.489 ? 25  ILE   C HB   1 c 
ATOM   4030 H HG12 . ILE   C 1 13  ? 10.52  20.28   -33.887 1   20.044 ? 25  ILE   C HG12 1 c 
ATOM   4031 H HG13 . ILE   C 1 13  ? 10.856 19.087  -32.904 1   20.059 ? 25  ILE   C HG13 1 c 
ATOM   4032 H HG21 . ILE   C 1 13  ? 12.692 20.074  -35.875 1   22.283 ? 25  ILE   C HG21 1 c 
ATOM   4033 H HG22 . ILE   C 1 13  ? 11.19  20.065  -36.383 1   22.256 ? 25  ILE   C HG22 1 c 
ATOM   4034 H HG23 . ILE   C 1 13  ? 12.169 18.882  -36.779 1   22.315 ? 25  ILE   C HG23 1 c 
ATOM   4035 H HD11 . ILE   C 1 13  ? 13.128 19.76   -32.877 1   21.022 ? 25  ILE   C HD11 1 c 
ATOM   4036 H HD12 . ILE   C 1 13  ? 12.183 20.928  -32.349 1   21.075 ? 25  ILE   C HD12 1 c 
ATOM   4037 H HD13 . ILE   C 1 13  ? 12.767 20.985  -33.829 1   20.948 ? 25  ILE   C HD13 1 c 
ATOM   4038 N N    . THR   C 1 14  ? 8.819  16.58   -33.638 1   22.651 ? 26  THR   C N    1 ? 
ATOM   4039 C CA   . THR   C 1 14  ? 8.472  15.559  -32.662 1   22.668 ? 26  THR   C CA   1 ? 
ATOM   4040 C C    . THR   C 1 14  ? 8.539  14.166  -33.294 1   26.624 ? 26  THR   C C    1 ? 
ATOM   4041 O O    . THR   C 1 14  ? 8.273  13.991  -34.498 1   29.007 ? 26  THR   C O    1 ? 
ATOM   4042 C CB   . THR   C 1 14  ? 7.083  15.817  -32.058 1   22.148 ? 26  THR   C CB   1 ? 
ATOM   4043 O OG1  . THR   C 1 14  ? 6.068  15.638  -33.042 1   24.455 ? 26  THR   C OG1  1 ? 
ATOM   4044 C CG2  . THR   C 1 14  ? 6.985  17.171  -31.375 1   19.669 ? 26  THR   C CG2  1 ? 
ATOM   4045 H H    . THR   C 1 14  ? 8.148  17.08   -34.004 1   22.694 ? 26  THR   C H    1 c 
ATOM   4046 H HA   . THR   C 1 14  ? 9.13   15.6    -31.936 1   23.038 ? 26  THR   C HA   1 c 
ATOM   4047 H HB   . THR   C 1 14  ? 6.941  15.141  -31.354 1   22.116 ? 26  THR   C HB   1 c 
ATOM   4048 H HG1  . THR   C 1 14  ? 6.208  16.19   -33.698 0   24.53  ? 26  THR   C HG1  1 c 
ATOM   4049 H HG21 . THR   C 1 14  ? 6.093  17.288  -31.009 1   20.141 ? 26  THR   C HG21 1 c 
ATOM   4050 H HG22 . THR   C 1 14  ? 7.164  17.875  -32.021 1   20.238 ? 26  THR   C HG22 1 c 
ATOM   4051 H HG23 . THR   C 1 14  ? 7.638  17.22   -30.656 1   19.984 ? 26  THR   C HG23 1 c 
ATOM   4052 N N    . SER   C 1 15  ? 8.819  13.16   -32.445 1   29.249 ? 27  SER   C N    1 ? 
ATOM   4053 C CA   . SER   C 1 15  ? 8.765  11.764  -32.85  1   29.459 ? 27  SER   C CA   1 ? 
ATOM   4054 C C    . SER   C 1 15  ? 7.315  11.353  -33.151 1   32.811 ? 27  SER   C C    1 ? 
ATOM   4055 O O    . SER   C 1 15  ? 7.052  10.571  -34.057 1   36.135 ? 27  SER   C O    1 ? 
ATOM   4056 C CB   . SER   C 1 15  ? 9.368  10.888  -31.778 1   32.826 ? 27  SER   C CB   1 ? 
ATOM   4057 O OG   . SER   C 1 15  ? 10.725 11.259  -31.512 1   35.767 ? 27  SER   C OG   1 ? 
ATOM   4058 H H    . SER   C 1 15  ? 9.051  13.357  -31.583 1   28.854 ? 27  SER   C H    1 c 
ATOM   4059 H HA   . SER   C 1 15  ? 9.298  11.66   -33.679 1   30.42  ? 27  SER   C HA   1 c 
ATOM   4060 H HB2  . SER   C 1 15  ? 8.843  10.972  -30.959 1   32.79  ? 27  SER   C HB2  1 c 
ATOM   4061 H HB3  . SER   C 1 15  ? 9.335  9.956   -32.066 1   32.724 ? 27  SER   C HB3  1 c 
ATOM   4062 H HG   . SER   C 1 15  ? 11.044 10.746  -30.923 0   35.58  ? 27  SER   C HG   1 c 
ATOM   4063 N N    . LYS   C 1 16  ? 6.375  11.823  -32.32  1   31.387 ? 28  LYS   C N    1 ? 
ATOM   4064 C CA   . LYS   C 1 16  ? 4.984  11.442  -32.421 1   33.852 ? 28  LYS   C CA   1 ? 
ATOM   4065 C C    . LYS   C 1 16  ? 4.291  12.146  -33.595 1   32.669 ? 28  LYS   C C    1 ? 
ATOM   4066 O O    . LYS   C 1 16  ? 3.198  11.737  -33.985 1   34.986 ? 28  LYS   C O    1 ? 
ATOM   4067 C CB   . LYS   C 1 16  ? 4.285  11.79   -31.105 1   38.232 ? 28  LYS   C CB   1 ? 
ATOM   4068 C CG   . LYS   C 1 16  ? 4.524  10.937  -29.862 1   43.324 ? 28  LYS   C CG   1 ? 
ATOM   4069 C CD   . LYS   C 1 16  ? 3.534  11.344  -28.766 1   50.291 ? 28  LYS   C CD   1 ? 
ATOM   4070 C CE   . LYS   C 1 16  ? 3.559  10.577  -27.479 1   58.3   ? 28  LYS   C CE   1 ? 
ATOM   4071 N NZ   . LYS   C 1 16  ? 4.811  10.717  -26.739 1   62.753 ? 28  LYS   C NZ   1 ? 
ATOM   4072 H H    . LYS   C 1 16  ? 6.62   12.406  -31.66  1   31.578 ? 28  LYS   C H    1 c 
ATOM   4073 H HA   . LYS   C 1 16  ? 4.936  10.462  -32.562 1   33.988 ? 28  LYS   C HA   1 c 
ATOM   4074 H HB2  . LYS   C 1 16  ? 4.529  12.713  -30.878 1   38.132 ? 28  LYS   C HB2  1 c 
ATOM   4075 H HB3  . LYS   C 1 16  ? 3.319  11.786  -31.279 1   38.306 ? 28  LYS   C HB3  1 c 
ATOM   4076 H HG2  . LYS   C 1 16  ? 4.4    9.99    -30.088 1   43.214 ? 28  LYS   C HG2  1 c 
ATOM   4077 H HG3  . LYS   C 1 16  ? 5.444  11.07   -29.547 1   43.034 ? 28  LYS   C HG3  1 c 
ATOM   4078 H HD2  . LYS   C 1 16  ? 3.689  12.292  -28.56  1   49.785 ? 28  LYS   C HD2  1 c 
ATOM   4079 H HD3  . LYS   C 1 16  ? 2.629  11.282  -29.141 1   49.916 ? 28  LYS   C HD3  1 c 
ATOM   4080 H HE2  . LYS   C 1 16  ? 2.831  10.887  -26.911 1   57.23  ? 28  LYS   C HE2  1 c 
ATOM   4081 H HE3  . LYS   C 1 16  ? 3.411  9.633   -27.667 1   57.634 ? 28  LYS   C HE3  1 c 
ATOM   4082 H HZ1  . LYS   C 1 16  ? 4.95   11.585  -26.525 1   61.764 ? 28  LYS   C HZ1  1 c 
ATOM   4083 H HZ2  . LYS   C 1 16  ? 5.5    10.423  -27.251 1   61.544 ? 28  LYS   C HZ2  1 c 
ATOM   4084 H HZ3  . LYS   C 1 16  ? 4.775  10.222  -25.982 1   61.647 ? 28  LYS   C HZ3  1 c 
ATOM   4085 N N    . LYS   C 1 17  ? 4.91   13.206  -34.146 1   30.095 ? 29  LYS   C N    1 ? 
ATOM   4086 C CA   . LYS   C 1 17  ? 4.334  13.993  -35.239 1   27.584 ? 29  LYS   C CA   1 ? 
ATOM   4087 C C    . LYS   C 1 17  ? 2.977  14.557  -34.819 1   26.068 ? 29  LYS   C C    1 ? 
ATOM   4088 O O    . LYS   C 1 17  ? 1.983  14.495  -35.554 1   33.222 ? 29  LYS   C O    1 ? 
ATOM   4089 C CB   . LYS   C 1 17  ? 4.318  13.264  -36.59  1   29.114 ? 29  LYS   C CB   1 ? 
ATOM   4090 C CG   . LYS   C 1 17  ? 5.716  12.865  -37.143 1   29.884 ? 29  LYS   C CG   1 ? 
ATOM   4091 C CD   . LYS   C 1 17  ? 6.574  14.038  -37.61  1   29.741 ? 29  LYS   C CD   1 ? 
ATOM   4092 H H    . LYS   C 1 17  ? 5.726  13.456  -33.822 1   30.187 ? 29  LYS   C H    1 c 
ATOM   4093 H HA   . LYS   C 1 17  ? 4.931  14.77   -35.367 1   27.862 ? 29  LYS   C HA   1 c 
ATOM   4094 H HB2  . LYS   C 1 17  ? 3.778  12.45   -36.5   1   29.043 ? 29  LYS   C HB2  1 c 
ATOM   4095 H HB3  . LYS   C 1 17  ? 3.877  13.84   -37.251 1   28.9   ? 29  LYS   C HB3  1 c 
ATOM   4096 H HG2  . LYS   C 1 17  ? 6.199  12.378  -36.441 1   29.778 ? 29  LYS   C HG2  1 c 
ATOM   4097 H HG3  . LYS   C 1 17  ? 5.586  12.248  -37.897 1   29.774 ? 29  LYS   C HG3  1 c 
ATOM   4098 H HD2  . LYS   C 1 17  ? 7.521  13.787  -37.512 0   29.66  ? 29  LYS   C HD2  1 c 
ATOM   4099 H HD3  . LYS   C 1 17  ? 5.991  14.766  -37.9   0   29.66  ? 29  LYS   C HD3  1 c 
ATOM   4100 N N    . ASP   C 1 18  ? 2.978  15.206  -33.646 1   26.312 ? 30  ASP   C N    1 ? 
ATOM   4101 C CA   . ASP   C 1 18  ? 1.789  15.79   -33.035 1   24.433 ? 30  ASP   C CA   1 ? 
ATOM   4102 C C    . ASP   C 1 18  ? 1.837  17.327  -33.085 1   23.774 ? 30  ASP   C C    1 ? 
ATOM   4103 O O    . ASP   C 1 18  ? 1.067  18.002  -32.403 1   23.076 ? 30  ASP   C O    1 ? 
ATOM   4104 C CB   . ASP   C 1 18  ? 1.629  15.27   -31.613 1   24.362 ? 30  ASP   C CB   1 ? 
ATOM   4105 C CG   . ASP   C 1 18  ? 2.787  15.595  -30.669 1   24.2   ? 30  ASP   C CG   1 ? 
ATOM   4106 O OD1  . ASP   C 1 18  ? 3.606  16.471  -31.018 1   22.994 ? 30  ASP   C OD1  1 ? 
ATOM   4107 O OD2  . ASP   C 1 18  ? 2.865  14.97   -29.573 1   26.44  ? 30  ASP   C OD2  1 ? 
ATOM   4108 H H    . ASP   C 1 18  ? 3.773  15.295  -33.204 1   25.729 ? 30  ASP   C H    1 c 
ATOM   4109 H HA   . ASP   C 1 18  ? 1.002  15.491  -33.544 1   24.673 ? 30  ASP   C HA   1 c 
ATOM   4110 H HB2  . ASP   C 1 18  ? 0.808  15.643  -31.229 1   24.355 ? 30  ASP   C HB2  1 c 
ATOM   4111 H HB3  . ASP   C 1 18  ? 1.528  14.295  -31.646 1   24.286 ? 30  ASP   C HB3  1 c 
ATOM   4112 N N    . ARG   C 1 19  ? 2.772  17.884  -33.863 1   21.463 ? 31  ARG   C N    1 ? 
ATOM   4113 C CA   . ARG   C 1 19  ? 2.957  19.323  -34.005 1   21.237 ? 31  ARG   C CA   1 ? 
ATOM   4114 C C    . ARG   C 1 19  ? 3.24   20.013  -32.662 1   19.791 ? 31  ARG   C C    1 ? 
ATOM   4115 O O    . ARG   C 1 19  ? 3.069  21.24   -32.522 1   19.868 ? 31  ARG   C O    1 ? 
ATOM   4116 C CB   . ARG   C 1 19  ? 1.757  19.942  -34.726 1   21.781 ? 31  ARG   C CB   1 ? 
ATOM   4117 C CG   . ARG   C 1 19  ? 1.734  19.567  -36.203 1   23.939 ? 31  ARG   C CG   1 ? 
ATOM   4118 C CD   . ARG   C 1 19  ? 0.494  20.155  -36.888 1   26.169 ? 31  ARG   C CD   1 ? 
ATOM   4119 N NE   . ARG   C 1 19  ? 0.398  21.619  -36.807 1   25.459 ? 31  ARG   C NE   1 ? 
ATOM   4120 C CZ   . ARG   C 1 19  ? 1.103  22.486  -37.533 1   25.163 ? 31  ARG   C CZ   1 ? 
ATOM   4121 N NH1  . ARG   C 1 19  ? 1.994  22.056  -38.4   1   24.253 ? 31  ARG   C NH1  1 ? 
ATOM   4122 N NH2  . ARG   C 1 19  ? 0.896  23.781  -37.417 1   26.517 ? 31  ARG   C NH2  1 ? 
ATOM   4123 H H    . ARG   C 1 19  ? 3.324  17.334  -34.338 1   21.822 ? 31  ARG   C H    1 c 
ATOM   4124 H HA   . ARG   C 1 19  ? 3.748  19.464  -34.584 1   21.079 ? 31  ARG   C HA   1 c 
ATOM   4125 H HB2  . ARG   C 1 19  ? 0.926  19.637  -34.304 1   21.971 ? 31  ARG   C HB2  1 c 
ATOM   4126 H HB3  . ARG   C 1 19  ? 1.797  20.918  -34.644 1   21.882 ? 31  ARG   C HB3  1 c 
ATOM   4127 H HG2  . ARG   C 1 19  ? 2.542  19.911  -36.642 1   23.991 ? 31  ARG   C HG2  1 c 
ATOM   4128 H HG3  . ARG   C 1 19  ? 1.722  18.589  -36.294 1   23.968 ? 31  ARG   C HG3  1 c 
ATOM   4129 H HD2  . ARG   C 1 19  ? 0.496  19.887  -37.829 1   25.942 ? 31  ARG   C HD2  1 c 
ATOM   4130 H HD3  . ARG   C 1 19  ? -0.3   19.764  -36.472 1   25.698 ? 31  ARG   C HD3  1 c 
ATOM   4131 H HE   . ARG   C 1 19  ? -0.169 21.95   -36.234 1   25.519 ? 31  ARG   C HE   1 c 
ATOM   4132 H HH11 . ARG   C 1 19  ? 2.123  21.192  -38.525 1   24.589 ? 31  ARG   C HH11 1 c 
ATOM   4133 H HH12 . ARG   C 1 19  ? 2.469  22.64   -38.864 1   24.655 ? 31  ARG   C HH12 1 c 
ATOM   4134 H HH21 . ARG   C 1 19  ? 0.283  24.08   -36.855 1   26.208 ? 31  ARG   C HH21 1 c 
ATOM   4135 H HH22 . ARG   C 1 19  ? 1.37   24.35   -37.9   1   26.269 ? 31  ARG   C HH22 1 c 
ATOM   4136 N N    . GLY   C 1 20  ? 3.754  19.25   -31.692 1   20.721 ? 32  GLY   C N    1 ? 
ATOM   4137 C CA   . GLY   C 1 20  ? 4.027  19.776  -30.358 1   20.472 ? 32  GLY   C CA   1 ? 
ATOM   4138 C C    . GLY   C 1 20  ? 5.238  20.702  -30.297 1   18.152 ? 32  GLY   C C    1 ? 
ATOM   4139 O O    . GLY   C 1 20  ? 5.327  21.542  -29.396 1   18.335 ? 32  GLY   C O    1 ? 
ATOM   4140 H H    . GLY   C 1 20  ? 3.959  18.377  -31.867 1   20.433 ? 32  GLY   C H    1 c 
ATOM   4141 H HA2  . GLY   C 1 20  ? 3.231  20.266  -30.044 1   20.144 ? 32  GLY   C HA2  1 c 
ATOM   4142 H HA3  . GLY   C 1 20  ? 4.171  19.019  -29.748 1   20.077 ? 32  GLY   C HA3  1 c 
ATOM   4143 N N    . VAL   C 1 21  ? 6.182  20.503  -31.219 1   18.964 ? 33  VAL   C N    1 ? 
ATOM   4144 C CA   . VAL   C 1 21  ? 7.369  21.331  -31.321 1   18.339 ? 33  VAL   C CA   1 ? 
ATOM   4145 C C    . VAL   C 1 21  ? 7.559  21.611  -32.808 1   19.466 ? 33  VAL   C C    1 ? 
ATOM   4146 O O    . VAL   C 1 21  ? 7.815  20.671  -33.586 1   19.428 ? 33  VAL   C O    1 ? 
ATOM   4147 C CB   . VAL   C 1 21  ? 8.627  20.68   -30.721 1   18.933 ? 33  VAL   C CB   1 ? 
ATOM   4148 C CG1  . VAL   C 1 21  ? 9.829  21.598  -30.813 1   21.959 ? 33  VAL   C CG1  1 ? 
ATOM   4149 C CG2  . VAL   C 1 21  ? 8.414  20.203  -29.304 1   18.04  ? 33  VAL   C CG2  1 ? 
ATOM   4150 H H    . VAL   C 1 21  ? 6.081  19.816  -31.812 1   18.622 ? 33  VAL   C H    1 c 
ATOM   4151 H HA   . VAL   C 1 21  ? 7.204  22.176  -30.86  1   18.597 ? 33  VAL   C HA   1 c 
ATOM   4152 H HB   . VAL   C 1 21  ? 8.825  19.884  -31.269 1   19.148 ? 33  VAL   C HB   1 c 
ATOM   4153 H HG11 . VAL   C 1 21  ? 9.639  22.429  -30.345 1   21.319 ? 33  VAL   C HG11 1 c 
ATOM   4154 H HG12 . VAL   C 1 21  ? 10.024 21.79   -31.745 1   21.385 ? 33  VAL   C HG12 1 c 
ATOM   4155 H HG13 . VAL   C 1 21  ? 10.598 21.167  -30.405 1   21.379 ? 33  VAL   C HG13 1 c 
ATOM   4156 H HG21 . VAL   C 1 21  ? 9.238  19.813  -28.966 1   18.112 ? 33  VAL   C HG21 1 c 
ATOM   4157 H HG22 . VAL   C 1 21  ? 7.71   19.533  -29.288 1   18.223 ? 33  VAL   C HG22 1 c 
ATOM   4158 H HG23 . VAL   C 1 21  ? 8.158  20.954  -28.744 1   18.232 ? 33  VAL   C HG23 1 c 
ATOM   4159 N N    . LEU   C 1 22  ? 7.37   22.885  -33.194 1   18.774 ? 34  LEU   C N    1 ? 
ATOM   4160 C CA   . LEU   C 1 22  ? 7.537  23.27   -34.585 1   18.091 ? 34  LEU   C CA   1 ? 
ATOM   4161 C C    . LEU   C 1 22  ? 8.749  24.187  -34.703 1   17.127 ? 34  LEU   C C    1 ? 
ATOM   4162 O O    . LEU   C 1 22  ? 8.95   25.042  -33.84  1   18.366 ? 34  LEU   C O    1 ? 
ATOM   4163 C CB   . LEU   C 1 22  ? 6.279  24.004  -35.057 1   18.554 ? 34  LEU   C CB   1 ? 
ATOM   4164 C CG   . LEU   C 1 22  ? 4.96   23.237  -35.024 1   20.685 ? 34  LEU   C CG   1 ? 
ATOM   4165 C CD1  . LEU   C 1 22  ? 3.792  24.215  -35.269 1   21.244 ? 34  LEU   C CD1  1 ? 
ATOM   4166 C CD2  . LEU   C 1 22  ? 4.982  22.091  -36.023 1   20.367 ? 34  LEU   C CD2  1 ? 
ATOM   4167 H H    . LEU   C 1 22  ? 7.134  23.521  -32.581 1   18.878 ? 34  LEU   C H    1 c 
ATOM   4168 H HA   . LEU   C 1 22  ? 7.678  22.461  -35.133 1   18.1   ? 34  LEU   C HA   1 c 
ATOM   4169 H HB2  . LEU   C 1 22  ? 6.177  24.812  -34.504 1   18.834 ? 34  LEU   C HB2  1 c 
ATOM   4170 H HB3  . LEU   C 1 22  ? 6.435  24.307  -35.982 1   18.811 ? 34  LEU   C HB3  1 c 
ATOM   4171 H HG   . LEU   C 1 22  ? 4.85   22.851  -34.118 1   20.388 ? 34  LEU   C HG   1 c 
ATOM   4172 H HD11 . LEU   C 1 22  ? 3.788  24.898  -34.577 1   21.154 ? 34  LEU   C HD11 1 c 
ATOM   4173 H HD12 . LEU   C 1 22  ? 2.95   23.729  -35.247 1   20.985 ? 34  LEU   C HD12 1 c 
ATOM   4174 H HD13 . LEU   C 1 22  ? 3.898  24.637  -36.138 1   21.196 ? 34  LEU   C HD13 1 c 
ATOM   4175 H HD21 . LEU   C 1 22  ? 5.693  21.472  -35.792 1   20.506 ? 34  LEU   C HD21 1 c 
ATOM   4176 H HD22 . LEU   C 1 22  ? 5.137  22.442  -36.917 1   20.44  ? 34  LEU   C HD22 1 c 
ATOM   4177 H HD23 . LEU   C 1 22  ? 4.13   21.625  -36.002 1   20.186 ? 34  LEU   C HD23 1 c 
ATOM   4178 N N    . LYS   C 1 23  ? 9.514  24.059  -35.801 1   19.114 ? 35  LYS   C N    1 ? 
ATOM   4179 C CA   . LYS   C 1 23  ? 10.783 24.737  -35.965 1   17.892 ? 35  LYS   C CA   1 ? 
ATOM   4180 C C    . LYS   C 1 23  ? 10.892 25.4    -37.331 1   17.933 ? 35  LYS   C C    1 ? 
ATOM   4181 O O    . LYS   C 1 23  ? 10.616 24.775  -38.357 1   19.621 ? 35  LYS   C O    1 ? 
ATOM   4182 C CB   . LYS   C 1 23  ? 11.891 23.681  -35.879 1   18.004 ? 35  LYS   C CB   1 ? 
ATOM   4183 C CG   . LYS   C 1 23  ? 13.288 24.226  -36.008 1   18.479 ? 35  LYS   C CG   1 ? 
ATOM   4184 C CD   . LYS   C 1 23  ? 14.408 23.189  -35.997 1   17.624 ? 35  LYS   C CD   1 ? 
ATOM   4185 C CE   . LYS   C 1 23  ? 15.72  23.835  -36.012 1   17.374 ? 35  LYS   C CE   1 ? 
ATOM   4186 N NZ   . LYS   C 1 23  ? 16.843 22.946  -36.386 1   16.731 ? 35  LYS   C NZ   1 ? 
ATOM   4187 H H    . LYS   C 1 23  ? 9.221  23.521  -36.479 1   18.564 ? 35  LYS   C H    1 c 
ATOM   4188 H HA   . LYS   C 1 23  ? 10.891 25.411  -35.251 1   18.008 ? 35  LYS   C HA   1 c 
ATOM   4189 H HB2  . LYS   C 1 23  ? 11.818 23.218  -35.017 1   18.081 ? 35  LYS   C HB2  1 c 
ATOM   4190 H HB3  . LYS   C 1 23  ? 11.75  23.017  -36.587 1   18.193 ? 35  LYS   C HB3  1 c 
ATOM   4191 H HG2  . LYS   C 1 23  ? 13.344 24.735  -36.845 1   18.264 ? 35  LYS   C HG2  1 c 
ATOM   4192 H HG3  . LYS   C 1 23  ? 13.439 24.858  -35.271 1   18.245 ? 35  LYS   C HG3  1 c 
ATOM   4193 H HD2  . LYS   C 1 23  ? 14.329 22.632  -35.192 1   17.713 ? 35  LYS   C HD2  1 c 
ATOM   4194 H HD3  . LYS   C 1 23  ? 14.323 22.609  -36.785 1   17.715 ? 35  LYS   C HD3  1 c 
ATOM   4195 H HE2  . LYS   C 1 23  ? 15.698 24.58   -36.639 1   17.32  ? 35  LYS   C HE2  1 c 
ATOM   4196 H HE3  . LYS   C 1 23  ? 15.899 24.2    -35.126 1   17.321 ? 35  LYS   C HE3  1 c 
ATOM   4197 H HZ1  . LYS   C 1 23  ? 16.707 22.613  -37.218 1   16.844 ? 35  LYS   C HZ1  1 c 
ATOM   4198 H HZ2  . LYS   C 1 23  ? 16.9   22.26   -35.797 1   16.904 ? 35  LYS   C HZ2  1 c 
ATOM   4199 H HZ3  . LYS   C 1 23  ? 17.62  23.413  -36.376 1   16.901 ? 35  LYS   C HZ3  1 c 
ATOM   4200 N N    . ILE   C 1 24  ? 11.421 26.628  -37.335 1   17.796 ? 36  ILE   C N    1 ? 
ATOM   4201 C CA   . ILE   C 1 24  ? 11.975 27.243  -38.536 1   20.088 ? 36  ILE   C CA   1 ? 
ATOM   4202 C C    . ILE   C 1 24  ? 13.446 27.583  -38.317 1   19.9   ? 36  ILE   C C    1 ? 
ATOM   4203 O O    . ILE   C 1 24  ? 13.801 28.205  -37.308 1   19.446 ? 36  ILE   C O    1 ? 
ATOM   4204 C CB   . ILE   C 1 24  ? 11.199 28.521  -38.892 1   21.75  ? 36  ILE   C CB   1 ? 
ATOM   4205 C CG1  . ILE   C 1 24  ? 9.814  28.186  -39.358 1   25.425 ? 36  ILE   C CG1  1 ? 
ATOM   4206 C CG2  . ILE   C 1 24  ? 11.959 29.406  -39.898 1   23.952 ? 36  ILE   C CG2  1 ? 
ATOM   4207 C CD1  . ILE   C 1 24  ? 9.002  29.402  -39.705 1   28.916 ? 36  ILE   C CD1  1 ? 
ATOM   4208 H H    . ILE   C 1 24  ? 11.436 27.106  -36.556 1   18.002 ? 36  ILE   C H    1 c 
ATOM   4209 H HA   . ILE   C 1 24  ? 11.9   26.613  -39.278 1   19.94  ? 36  ILE   C HA   1 c 
ATOM   4210 H HB   . ILE   C 1 24  ? 11.105 29.037  -38.067 1   22.094 ? 36  ILE   C HB   1 c 
ATOM   4211 H HG12 . ILE   C 1 24  ? 9.875  27.608  -40.147 1   25.083 ? 36  ILE   C HG12 1 c 
ATOM   4212 H HG13 . ILE   C 1 24  ? 9.353  27.686  -38.654 1   25.091 ? 36  ILE   C HG13 1 c 
ATOM   4213 H HG21 . ILE   C 1 24  ? 11.445 30.209  -40.083 1   23.461 ? 36  ILE   C HG21 1 c 
ATOM   4214 H HG22 . ILE   C 1 24  ? 12.097 28.915  -40.725 1   23.627 ? 36  ILE   C HG22 1 c 
ATOM   4215 H HG23 . ILE   C 1 24  ? 12.82  29.659  -39.526 1   23.406 ? 36  ILE   C HG23 1 c 
ATOM   4216 H HD11 . ILE   C 1 24  ? 8.983  30.009  -38.941 1   28.308 ? 36  ILE   C HD11 1 c 
ATOM   4217 H HD12 . ILE   C 1 24  ? 8.092  29.129  -39.923 1   28.083 ? 36  ILE   C HD12 1 c 
ATOM   4218 H HD13 . ILE   C 1 24  ? 9.392  29.86   -40.473 1   28.257 ? 36  ILE   C HD13 1 c 
ATOM   4219 N N    . VAL   C 1 25  ? 14.271 27.298  -39.323 1   20.607 ? 37  VAL   C N    1 ? 
ATOM   4220 C CA   . VAL   C 1 25  ? 15.655 27.738  -39.325 1   20.976 ? 37  VAL   C CA   1 ? 
ATOM   4221 C C    . VAL   C 1 25  ? 15.705 29.153  -39.894 1   20.491 ? 37  VAL   C C    1 ? 
ATOM   4222 O O    . VAL   C 1 25  ? 15.346 29.36   -41.055 1   21.77  ? 37  VAL   C O    1 ? 
ATOM   4223 C CB   . VAL   C 1 25  ? 16.578 26.792  -40.119 1   21.127 ? 37  VAL   C CB   1 ? 
ATOM   4224 C CG1  . VAL   C 1 25  ? 17.993 27.355  -40.21  1   20.05  ? 37  VAL   C CG1  1 ? 
ATOM   4225 C CG2  . VAL   C 1 25  ? 16.592 25.384  -39.546 1   21.832 ? 37  VAL   C CG2  1 ? 
ATOM   4226 H H    . VAL   C 1 25  ? 13.963 26.812  -40.033 1   20.64  ? 37  VAL   C H    1 c 
ATOM   4227 H HA   . VAL   C 1 25  ? 15.969 27.764  -38.401 1   20.886 ? 37  VAL   C HA   1 c 
ATOM   4228 H HB   . VAL   C 1 25  ? 16.218 26.739  -41.035 1   21.056 ? 37  VAL   C HB   1 c 
ATOM   4229 H HG11 . VAL   C 1 25  ? 18.343 27.5    -39.315 1   20.404 ? 37  VAL   C HG11 1 c 
ATOM   4230 H HG12 . VAL   C 1 25  ? 17.979 28.199  -40.692 1   20.604 ? 37  VAL   C HG12 1 c 
ATOM   4231 H HG13 . VAL   C 1 25  ? 18.563 26.725  -40.681 1   20.236 ? 37  VAL   C HG13 1 c 
ATOM   4232 H HG21 . VAL   C 1 25  ? 17.19  24.826  -40.072 1   21.719 ? 37  VAL   C HG21 1 c 
ATOM   4233 H HG22 . VAL   C 1 25  ? 15.695 25.012  -39.575 1   21.837 ? 37  VAL   C HG22 1 c 
ATOM   4234 H HG23 . VAL   C 1 25  ? 16.902 25.411  -38.625 1   21.815 ? 37  VAL   C HG23 1 c 
ATOM   4235 N N    . LYS   C 1 26  ? 16.094 30.113  -39.048 1   19.7   ? 38  LYS   C N    1 ? 
ATOM   4236 C CA   . LYS   C 1 26  ? 16.172 31.521  -39.428 1   20.008 ? 38  LYS   C CA   1 ? 
ATOM   4237 C C    . LYS   C 1 26  ? 17.551 31.934  -39.939 1   21.396 ? 38  LYS   C C    1 ? 
ATOM   4238 O O    . LYS   C 1 26  ? 17.664 32.87   -40.735 1   24.909 ? 38  LYS   C O    1 ? 
ATOM   4239 C CB   . LYS   C 1 26  ? 15.822 32.424  -38.244 1   19.146 ? 38  LYS   C CB   1 ? 
ATOM   4240 C CG   . LYS   C 1 26  ? 14.402 32.249  -37.737 1   19.028 ? 38  LYS   C CG   1 ? 
ATOM   4241 C CD   . LYS   C 1 26  ? 13.304 32.533  -38.756 1   22.726 ? 38  LYS   C CD   1 ? 
ATOM   4242 C CE   . LYS   C 1 26  ? 13.326 33.933  -39.305 1   23.797 ? 38  LYS   C CE   1 ? 
ATOM   4243 N NZ   . LYS   C 1 26  ? 12.316 34.127  -40.354 1   24.651 ? 38  LYS   C NZ   1 ? 
ATOM   4244 H H    . LYS   C 1 26  ? 16.315 29.882  -38.192 1   20.022 ? 38  LYS   C H    1 c 
ATOM   4245 H HA   . LYS   C 1 26  ? 15.516 31.684  -40.151 1   19.953 ? 38  LYS   C HA   1 c 
ATOM   4246 H HB2  . LYS   C 1 26  ? 16.441 32.234  -37.508 1   19.351 ? 38  LYS   C HB2  1 c 
ATOM   4247 H HB3  . LYS   C 1 26  ? 15.949 33.36   -38.507 1   19.291 ? 38  LYS   C HB3  1 c 
ATOM   4248 H HG2  . LYS   C 1 26  ? 14.302 31.326  -37.416 1   19.57  ? 38  LYS   C HG2  1 c 
ATOM   4249 H HG3  . LYS   C 1 26  ? 14.276 32.843  -36.966 1   19.544 ? 38  LYS   C HG3  1 c 
ATOM   4250 H HD2  . LYS   C 1 26  ? 13.389 31.9    -39.501 1   22.112 ? 38  LYS   C HD2  1 c 
ATOM   4251 H HD3  . LYS   C 1 26  ? 12.433 32.374  -38.331 1   22.313 ? 38  LYS   C HD3  1 c 
ATOM   4252 H HE2  . LYS   C 1 26  ? 13.159 34.565  -38.583 1   23.877 ? 38  LYS   C HE2  1 c 
ATOM   4253 H HE3  . LYS   C 1 26  ? 14.204 34.126  -39.678 1   23.922 ? 38  LYS   C HE3  1 c 
ATOM   4254 H HZ1  . LYS   C 1 26  ? 11.491 33.966  -40.017 1   24.464 ? 38  LYS   C HZ1  1 c 
ATOM   4255 H HZ2  . LYS   C 1 26  ? 12.475 33.558  -41.04  1   24.564 ? 38  LYS   C HZ2  1 c 
ATOM   4256 H HZ3  . LYS   C 1 26  ? 12.353 34.979  -40.659 1   24.612 ? 38  LYS   C HZ3  1 c 
ATOM   4257 N N    A ARG   C 1 27  ? 18.586 31.23   -39.479 0.5 21.071 ? 39  ARG   C N    1 ? 
ATOM   4258 N N    B ARG   C 1 27  ? 18.583 31.215  -39.493 0.5 21.052 ? 39  ARG   C N    1 ? 
ATOM   4259 C CA   A ARG   C 1 27  ? 19.927 31.4    -39.994 0.5 21.893 ? 39  ARG   C CA   1 ? 
ATOM   4260 C CA   B ARG   C 1 27  ? 19.938 31.412  -39.968 0.5 21.85  ? 39  ARG   C CA   1 ? 
ATOM   4261 C C    A ARG   C 1 27  ? 20.599 30.034  -39.983 0.5 20.74  ? 39  ARG   C C    1 ? 
ATOM   4262 C C    B ARG   C 1 27  ? 20.62  30.048  -39.973 0.5 20.731 ? 39  ARG   C C    1 ? 
ATOM   4263 O O    A ARG   C 1 27  ? 20.644 29.376  -38.947 0.5 21.187 ? 39  ARG   C O    1 ? 
ATOM   4264 O O    B ARG   C 1 27  ? 20.65  29.381  -38.943 0.5 21.161 ? 39  ARG   C O    1 ? 
ATOM   4265 C CB   A ARG   C 1 27  ? 20.744 32.412  -39.182 0.5 22.399 ? 39  ARG   C CB   1 ? 
ATOM   4266 C CB   B ARG   C 1 27  ? 20.722 32.42   -39.116 0.5 22.132 ? 39  ARG   C CB   1 ? 
ATOM   4267 C CG   A ARG   C 1 27  ? 22.188 32.522  -39.67  0.5 24.127 ? 39  ARG   C CG   1 ? 
ATOM   4268 C CG   B ARG   C 1 27  ? 22.127 32.637  -39.678 0.5 24.231 ? 39  ARG   C CG   1 ? 
ATOM   4269 C CD   A ARG   C 1 27  ? 23.019 33.435  -38.764 0.5 25.327 ? 39  ARG   C CD   1 ? 
ATOM   4270 C CD   B ARG   C 1 27  ? 22.973 33.633  -38.869 0.5 25.337 ? 39  ARG   C CD   1 ? 
ATOM   4271 N NE   A ARG   C 1 27  ? 22.385 34.755  -38.746 0.5 23.068 ? 39  ARG   C NE   1 ? 
ATOM   4272 N NE   B ARG   C 1 27  ? 23.635 32.975  -37.731 0.5 24.161 ? 39  ARG   C NE   1 ? 
ATOM   4273 C CZ   A ARG   C 1 27  ? 22.616 35.734  -37.849 0.5 22.369 ? 39  ARG   C CZ   1 ? 
ATOM   4274 C CZ   B ARG   C 1 27  ? 24.075 33.615  -36.656 0.5 22.494 ? 39  ARG   C CZ   1 ? 
ATOM   4275 N NH1  A ARG   C 1 27  ? 23.495 35.55   -36.876 0.5 23.314 ? 39  ARG   C NH1  1 ? 
ATOM   4276 N NH1  B ARG   C 1 27  ? 23.917 34.93   -36.585 0.5 24.726 ? 39  ARG   C NH1  1 ? 
ATOM   4277 N NH2  A ARG   C 1 27  ? 21.993 36.897  -37.964 0.5 19.945 ? 39  ARG   C NH2  1 ? 
ATOM   4278 N NH2  B ARG   C 1 27  ? 24.625 32.967  -35.654 0.5 18.777 ? 39  ARG   C NH2  1 ? 
ATOM   4279 H H    A ARG   C 1 27  ? 18.45  30.621  -38.812 0.5 21.358 ? 39  ARG   C H    1 c 
ATOM   4280 H H    B ARG   C 1 27  ? 18.436 30.574  -38.859 0.5 21.345 ? 39  ARG   C H    1 c 
ATOM   4281 H HA   A ARG   C 1 27  ? 19.867 31.715  -40.932 0.5 21.856 ? 39  ARG   C HA   1 c 
ATOM   4282 H HA   B ARG   C 1 27  ? 19.898 31.746  -40.9   0.5 21.762 ? 39  ARG   C HA   1 c 
ATOM   4283 H HB2  A ARG   C 1 27  ? 20.317 33.293  -39.243 0.5 22.734 ? 39  ARG   C HB2  1 c 
ATOM   4284 H HB2  B ARG   C 1 27  ? 20.243 33.276  -39.1   0.5 22.518 ? 39  ARG   C HB2  1 c 
ATOM   4285 H HB3  A ARG   C 1 27  ? 20.744 32.141  -38.239 0.5 22.528 ? 39  ARG   C HB3  1 c 
ATOM   4286 H HB3  B ARG   C 1 27  ? 20.787 32.089  -38.195 0.5 22.246 ? 39  ARG   C HB3  1 c 
ATOM   4287 H HG2  A ARG   C 1 27  ? 22.595 31.629  -39.688 0.5 24.332 ? 39  ARG   C HG2  1 c 
ATOM   4288 H HG2  B ARG   C 1 27  ? 22.595 31.774  -39.704 0.5 24.297 ? 39  ARG   C HG2  1 c 
ATOM   4289 H HG3  A ARG   C 1 27  ? 22.197 32.882  -40.584 0.5 24.234 ? 39  ARG   C HG3  1 c 
ATOM   4290 H HG3  B ARG   C 1 27  ? 22.055 32.961  -40.602 0.5 24.172 ? 39  ARG   C HG3  1 c 
ATOM   4291 H HD2  A ARG   C 1 27  ? 23.052 33.072  -37.855 0.5 25.168 ? 39  ARG   C HD2  1 c 
ATOM   4292 H HD2  B ARG   C 1 27  ? 23.65  34.033  -39.451 0.5 25.137 ? 39  ARG   C HD2  1 c 
ATOM   4293 H HD3  A ARG   C 1 27  ? 23.934 33.511  -39.104 0.5 24.997 ? 39  ARG   C HD3  1 c 
ATOM   4294 H HD3  B ARG   C 1 27  ? 22.396 34.351  -38.536 0.5 25.15  ? 39  ARG   C HD3  1 c 
ATOM   4295 H HE   A ARG   C 1 27  ? 21.805 34.928  -39.373 0.5 23.791 ? 39  ARG   C HE   1 c 
ATOM   4296 H HE   B ARG   C 1 27  ? 23.748 32.112  -37.764 0.5 24.363 ? 39  ARG   C HE   1 c 
ATOM   4297 H HH11 A ARG   C 1 27  ? 23.928 34.781  -36.817 0.5 23.638 ? 39  ARG   C HH11 1 c 
ATOM   4298 H HH11 B ARG   C 1 27  ? 23.535 35.363  -37.254 0.5 24.536 ? 39  ARG   C HH11 1 c 
ATOM   4299 H HH12 A ARG   C 1 27  ? 23.644 36.194  -36.289 0.5 23.29  ? 39  ARG   C HH12 1 c 
ATOM   4300 H HH12 B ARG   C 1 27  ? 24.193 35.367  -35.867 0.5 24.448 ? 39  ARG   C HH12 1 c 
ATOM   4301 H HH21 A ARG   C 1 27  ? 21.443 37.035  -38.641 0.5 21.02  ? 39  ARG   C HH21 1 c 
ATOM   4302 H HH21 B ARG   C 1 27  ? 24.725 32.091  -35.699 0.5 19.58  ? 39  ARG   C HH21 1 c 
ATOM   4303 H HH22 A ARG   C 1 27  ? 22.133 37.53   -37.363 0.5 20.421 ? 39  ARG   C HH22 1 c 
ATOM   4304 H HH22 B ARG   C 1 27  ? 24.893 33.412  -34.939 0.5 19.738 ? 39  ARG   C HH22 1 c 
ATOM   4305 N N    . VAL   C 1 28  ? 21.108 29.618  -41.146 1   21.027 ? 40  VAL   C N    1 ? 
ATOM   4306 C CA   . VAL   C 1 28  ? 21.77  28.334  -41.285 1   19.584 ? 40  VAL   C CA   1 ? 
ATOM   4307 C C    . VAL   C 1 28  ? 23.116 28.39   -40.569 1   19.62  ? 40  VAL   C C    1 ? 
ATOM   4308 O O    . VAL   C 1 28  ? 23.797 29.4    -40.629 1   22.191 ? 40  VAL   C O    1 ? 
ATOM   4309 C CB   . VAL   C 1 28  ? 21.913 28.012  -42.787 1   22.044 ? 40  VAL   C CB   1 ? 
ATOM   4310 C CG1  . VAL   C 1 28  ? 22.786 26.776  -43.016 1   23.383 ? 40  VAL   C CG1  1 ? 
ATOM   4311 C CG2  . VAL   C 1 28  ? 20.522 27.845  -43.437 1   23.564 ? 40  VAL   C CG2  1 ? 
ATOM   4312 H H    A VAL   C 1 28  ? 21.043 30.161  -41.878 0.5 20.906 ? 40  VAL   C H    1 c 
ATOM   4313 H H    B VAL   C 1 28  ? 21.027 30.153  -41.883 0.5 20.922 ? 40  VAL   C H    1 c 
ATOM   4314 H HA   . VAL   C 1 28  ? 21.215 27.647  -40.867 1   20.209 ? 40  VAL   C HA   1 c 
ATOM   4315 H HB   . VAL   C 1 28  ? 22.359 28.783  -43.212 1   22.583 ? 40  VAL   C HB   1 c 
ATOM   4316 H HG11 . VAL   C 1 28  ? 22.41  26.019  -42.537 1   23.171 ? 40  VAL   C HG11 1 c 
ATOM   4317 H HG12 . VAL   C 1 28  ? 23.686 26.948  -42.694 1   23.243 ? 40  VAL   C HG12 1 c 
ATOM   4318 H HG13 . VAL   C 1 28  ? 22.818 26.574  -43.967 1   23.242 ? 40  VAL   C HG13 1 c 
ATOM   4319 H HG21 . VAL   C 1 28  ? 20.628 27.624  -44.378 1   23.472 ? 40  VAL   C HG21 1 c 
ATOM   4320 H HG22 . VAL   C 1 28  ? 20.021 28.673  -43.355 1   23.519 ? 40  VAL   C HG22 1 c 
ATOM   4321 H HG23 . VAL   C 1 28  ? 20.04  27.129  -42.99  1   23.598 ? 40  VAL   C HG23 1 c 
ATOM   4322 N N    . GLY   C 1 29  ? 23.457 27.317  -39.826 1   22.202 ? 41  GLY   C N    1 ? 
ATOM   4323 C CA   . GLY   C 1 29  ? 24.724 27.248  -39.111 1   20.654 ? 41  GLY   C CA   1 ? 
ATOM   4324 C C    . GLY   C 1 29  ? 25.836 26.656  -39.979 1   22.791 ? 41  GLY   C C    1 ? 
ATOM   4325 O O    . GLY   C 1 29  ? 25.694 26.546  -41.202 1   24.474 ? 41  GLY   C O    1 ? 
ATOM   4326 H H    . GLY   C 1 29  ? 22.882 26.609  -39.769 1   21.657 ? 41  GLY   C H    1 c 
ATOM   4327 H HA2  . GLY   C 1 29  ? 24.981 28.154  -38.819 1   21.417 ? 41  GLY   C HA2  1 c 
ATOM   4328 H HA3  . GLY   C 1 29  ? 24.606 26.693  -38.305 1   21.367 ? 41  GLY   C HA3  1 c 
ATOM   4329 N N    . ASN   C 1 30  ? 26.916 26.255  -39.309 1   24.665 ? 42  ASN   C N    1 ? 
ATOM   4330 C CA   . ASN   C 1 30  ? 28.155 25.832  -39.932 1   27.122 ? 42  ASN   C CA   1 ? 
ATOM   4331 C C    . ASN   C 1 30  ? 28.314 24.328  -39.799 1   26.829 ? 42  ASN   C C    1 ? 
ATOM   4332 O O    . ASN   C 1 30  ? 27.863 23.728  -38.813 1   28.84  ? 42  ASN   C O    1 ? 
ATOM   4333 C CB   . ASN   C 1 30  ? 29.361 26.481  -39.265 1   33.811 ? 42  ASN   C CB   1 ? 
ATOM   4334 C CG   . ASN   C 1 30  ? 29.182 27.977  -39.195 1   40.449 ? 42  ASN   C CG   1 ? 
ATOM   4335 O OD1  . ASN   C 1 30  ? 29.244 28.585  -38.113 1   48.064 ? 42  ASN   C OD1  1 ? 
ATOM   4336 N ND2  . ASN   C 1 30  ? 28.944 28.577  -40.356 1   40.719 ? 42  ASN   C ND2  1 ? 
ATOM   4337 H H    . ASN   C 1 30  ? 26.875 26.246  -38.395 1   24.843 ? 42  ASN   C H    1 c 
ATOM   4338 H HA   . ASN   C 1 30  ? 28.148 26.085  -40.883 1   27.379 ? 42  ASN   C HA   1 c 
ATOM   4339 H HB2  . ASN   C 1 30  ? 29.468 26.122  -38.361 1   33.345 ? 42  ASN   C HB2  1 c 
ATOM   4340 H HB3  . ASN   C 1 30  ? 30.169 26.272  -39.776 1   33.506 ? 42  ASN   C HB3  1 c 
ATOM   4341 H HD21 . ASN   C 1 30  ? 28.639 29.412  -40.365 1   40.601 ? 42  ASN   C HD21 1 c 
ATOM   4342 H HD22 . ASN   C 1 30  ? 29.093 28.15   -41.12  1   40.558 ? 42  ASN   C HD22 1 c 
ATOM   4343 N N    . GLY   C 1 31  ? 29.026 23.737  -40.771 1   29.169 ? 43  GLY   C N    1 ? 
ATOM   4344 C CA   . GLY   C 1 31  ? 29.36  22.328  -40.653 1   32.725 ? 43  GLY   C CA   1 ? 
ATOM   4345 C C    . GLY   C 1 31  ? 28.113 21.449  -40.772 1   30.269 ? 43  GLY   C C    1 ? 
ATOM   4346 O O    . GLY   C 1 31  ? 27.085 21.875  -41.312 1   31.316 ? 43  GLY   C O    1 ? 
ATOM   4347 H H    . GLY   C 1 31  ? 29.304 24.209  -41.502 1   29.12  ? 43  GLY   C H    1 c 
ATOM   4348 H HA2  . GLY   C 1 31  ? 30.003 22.087  -41.361 1   31.842 ? 43  GLY   C HA2  1 c 
ATOM   4349 H HA3  . GLY   C 1 31  ? 29.794 22.17   -39.781 1   31.65  ? 43  GLY   C HA3  1 c 
ATOM   4350 N N    . GLU   C 1 32  ? 28.229 20.21   -40.299 1   30.073 ? 44  GLU   C N    1 ? 
ATOM   4351 C CA   . GLU   C 1 32  ? 27.132 19.251  -40.295 1   28.404 ? 44  GLU   C CA   1 ? 
ATOM   4352 C C    . GLU   C 1 32  ? 26.808 18.795  -38.862 1   22.655 ? 44  GLU   C C    1 ? 
ATOM   4353 O O    . GLU   C 1 32  ? 25.684 18.376  -38.596 1   27.252 ? 44  GLU   C O    1 ? 
ATOM   4354 C CB   . GLU   C 1 32  ? 27.509 18.02   -41.13  1   31.67  ? 44  GLU   C CB   1 ? 
ATOM   4355 H H    . GLU   C 1 32  ? 29.042 19.941  -39.98  1   29.747 ? 44  GLU   C H    1 c 
ATOM   4356 H HA   . GLU   C 1 32  ? 26.329 19.68   -40.686 1   28.075 ? 44  GLU   C HA   1 c 
ATOM   4357 H HB2  . GLU   C 1 32  ? 28.456 17.947  -41.196 0   32.14  ? 44  GLU   C HB2  1 c 
ATOM   4358 H HB3  . GLU   C 1 32  ? 26.649 17.596  -41.439 0   32.14  ? 44  GLU   C HB3  1 c 
ATOM   4359 N N    . GLU   C 1 33  ? 27.746 18.932  -37.918 1   21.407 ? 45  GLU   C N    1 ? 
ATOM   4360 C CA   . GLU   C 1 33  ? 27.581 18.344  -36.596 1   19.678 ? 45  GLU   C CA   1 ? 
ATOM   4361 C C    . GLU   C 1 33  ? 26.466 19.039  -35.795 1   19.277 ? 45  GLU   C C    1 ? 
ATOM   4362 O O    . GLU   C 1 33  ? 26.312 20.248  -35.799 1   18.288 ? 45  GLU   C O    1 ? 
ATOM   4363 C CB   . GLU   C 1 33  ? 28.887 18.301  -35.786 1   22.983 ? 45  GLU   C CB   1 ? 
ATOM   4364 H H    . GLU   C 1 33  ? 28.506 19.407  -38.098 1   21.24  ? 45  GLU   C H    1 c 
ATOM   4365 H HA   . GLU   C 1 33  ? 27.305 17.401  -36.731 1   20.179 ? 45  GLU   C HA   1 c 
ATOM   4366 H HB2  . GLU   C 1 33  ? 29.644 18.332  -36.402 0   23.46  ? 45  GLU   C HB2  1 c 
ATOM   4367 H HB3  . GLU   C 1 33  ? 28.66  18.251  -34.83  0   23.46  ? 45  GLU   C HB3  1 c 
ATOM   4368 N N    . THR   C 1 34  ? 25.684 18.222  -35.093 1   17.701 ? 46  THR   C N    1 ? 
ATOM   4369 C CA   . THR   C 1 34  ? 24.709 18.654  -34.112 1   17.199 ? 46  THR   C CA   1 ? 
ATOM   4370 C C    . THR   C 1 34  ? 24.989 17.945  -32.792 1   16.125 ? 46  THR   C C    1 ? 
ATOM   4371 O O    . THR   C 1 34  ? 25.613 16.877  -32.761 1   18.866 ? 46  THR   C O    1 ? 
ATOM   4372 C CB   . THR   C 1 34  ? 23.283 18.388  -34.611 1   17.03  ? 46  THR   C CB   1 ? 
ATOM   4373 O OG1  . THR   C 1 34  ? 23.12  16.968  -34.729 1   17.158 ? 46  THR   C OG1  1 ? 
ATOM   4374 C CG2  . THR   C 1 34  ? 23.003 19.069  -35.939 1   17.339 ? 46  THR   C CG2  1 ? 
ATOM   4375 H H    . THR   C 1 34  ? 25.766 17.324  -35.238 1   17.886 ? 46  THR   C H    1 c 
ATOM   4376 H HA   . THR   C 1 34  ? 24.815 19.62   -33.978 1   17.089 ? 46  THR   C HA   1 c 
ATOM   4377 H HB   . THR   C 1 34  ? 22.64  18.73   -33.945 1   16.996 ? 46  THR   C HB   1 c 
ATOM   4378 H HG1  . THR   C 1 34  ? 23.692 16.66   -35.297 0   17.18  ? 46  THR   C HG1  1 c 
ATOM   4379 H HG21 . THR   C 1 34  ? 22.082 18.904  -36.2   1   17.262 ? 46  THR   C HG21 1 c 
ATOM   4380 H HG22 . THR   C 1 34  ? 23.6   18.713  -36.619 1   17.369 ? 46  THR   C HG22 1 c 
ATOM   4381 H HG23 . THR   C 1 34  ? 23.148 20.025  -35.851 1   17.29  ? 46  THR   C HG23 1 c 
ATOM   4382 N N    . PRO   C 1 35  ? 24.566 18.511  -31.65  1   15.043 ? 47  PRO   C N    1 ? 
ATOM   4383 C CA   . PRO   C 1 35  ? 25.031 17.969  -30.376 1   14.869 ? 47  PRO   C CA   1 ? 
ATOM   4384 C C    . PRO   C 1 35  ? 24.4   16.65   -29.961 1   14.555 ? 47  PRO   C C    1 ? 
ATOM   4385 O O    . PRO   C 1 35  ? 23.251 16.367  -30.312 1   16.305 ? 47  PRO   C O    1 ? 
ATOM   4386 C CB   . PRO   C 1 35  ? 24.686 19.06   -29.342 1   15.966 ? 47  PRO   C CB   1 ? 
ATOM   4387 C CG   . PRO   C 1 35  ? 23.699 19.965  -30.046 1   16.382 ? 47  PRO   C CG   1 ? 
ATOM   4388 C CD   . PRO   C 1 35  ? 23.884 19.812  -31.53  1   15.494 ? 47  PRO   C CD   1 ? 
ATOM   4389 H HA   . PRO   C 1 35  ? 26.005 17.862  -30.412 1   14.976 ? 47  PRO   C HA   1 c 
ATOM   4390 H HB2  . PRO   C 1 35  ? 24.288 18.668  -28.541 1   15.904 ? 47  PRO   C HB2  1 c 
ATOM   4391 H HB3  . PRO   C 1 35  ? 25.486 19.557  -29.082 1   15.855 ? 47  PRO   C HB3  1 c 
ATOM   4392 H HG2  . PRO   C 1 35  ? 22.784 19.724  -29.798 1   16.229 ? 47  PRO   C HG2  1 c 
ATOM   4393 H HG3  . PRO   C 1 35  ? 23.851 20.896  -29.786 1   16.097 ? 47  PRO   C HG3  1 c 
ATOM   4394 H HD2  . PRO   C 1 35  ? 23.026 19.798  -31.995 1   15.49  ? 47  PRO   C HD2  1 c 
ATOM   4395 H HD3  . PRO   C 1 35  ? 24.438 20.529  -31.895 1   15.49  ? 47  PRO   C HD3  1 c 
ATOM   4396 N N    . MET   C 1 36  ? 25.189 15.864  -29.201 1   15.796 ? 48  MET   C N    1 ? 
ATOM   4397 C CA   . MET   C 1 36  ? 24.814 14.575  -28.672 1   15.444 ? 48  MET   C CA   1 ? 
ATOM   4398 C C    . MET   C 1 36  ? 24.246 14.731  -27.261 1   15.116 ? 48  MET   C C    1 ? 
ATOM   4399 O O    . MET   C 1 36  ? 24.613 15.656  -26.552 1   16.019 ? 48  MET   C O    1 ? 
ATOM   4400 C CB   . MET   C 1 36  ? 26.024 13.653  -28.613 1   16.697 ? 48  MET   C CB   1 ? 
ATOM   4401 C CG   . MET   C 1 36  ? 26.669 13.393  -29.945 1   16.569 ? 48  MET   C CG   1 ? 
ATOM   4402 S SD   . MET   C 1 36  ? 25.575 12.408  -30.995 1   19.648 ? 48  MET   C SD   1 ? 
ATOM   4403 C CE   . MET   C 1 36  ? 26.609 12.291  -32.44  1   19.505 ? 48  MET   C CE   1 ? 
ATOM   4404 H H    . MET   C 1 36  ? 26.028 16.17   -29.007 1   15.35  ? 48  MET   C H    1 c 
ATOM   4405 H HA   . MET   C 1 36  ? 24.12  14.181  -29.258 1   15.521 ? 48  MET   C HA   1 c 
ATOM   4406 H HB2  . MET   C 1 36  ? 26.689 14.05   -28.011 1   16.454 ? 48  MET   C HB2  1 c 
ATOM   4407 H HB3  . MET   C 1 36  ? 25.745 12.796  -28.224 1   16.47  ? 48  MET   C HB3  1 c 
ATOM   4408 H HG2  . MET   C 1 36  ? 26.866 14.241  -30.39  1   16.817 ? 48  MET   C HG2  1 c 
ATOM   4409 H HG3  . MET   C 1 36  ? 27.511 12.912  -29.816 1   16.786 ? 48  MET   C HG3  1 c 
ATOM   4410 H HE1  . MET   C 1 36  ? 26.154 11.765  -33.123 1   19.575 ? 48  MET   C HE1  1 c 
ATOM   4411 H HE2  . MET   C 1 36  ? 26.789 13.185  -32.785 1   19.603 ? 48  MET   C HE2  1 c 
ATOM   4412 H HE3  . MET   C 1 36  ? 27.449 11.857  -32.204 1   19.42  ? 48  MET   C HE3  1 c 
ATOM   4413 N N    . ILE   C 1 37  ? 23.407 13.773  -26.841 1   15.141 ? 49  ILE   C N    1 ? 
ATOM   4414 C CA   . ILE   C 1 37  ? 22.961 13.762  -25.439 1   16.075 ? 49  ILE   C CA   1 ? 
ATOM   4415 C C    . ILE   C 1 37  ? 24.195 13.758  -24.543 1   16.95  ? 49  ILE   C C    1 ? 
ATOM   4416 O O    . ILE   C 1 37  ? 25.12  12.984  -24.742 1   14.665 ? 49  ILE   C O    1 ? 
ATOM   4417 C CB   . ILE   C 1 37  ? 22.061 12.563  -25.146 1   17.097 ? 49  ILE   C CB   1 ? 
ATOM   4418 C CG1  . ILE   C 1 37  ? 20.783 12.679  -25.959 1   19.53  ? 49  ILE   C CG1  1 ? 
ATOM   4419 C CG2  . ILE   C 1 37  ? 21.729 12.435  -23.649 1   16.723 ? 49  ILE   C CG2  1 ? 
ATOM   4420 C CD1  . ILE   C 1 37  ? 19.848 11.501  -25.806 1   23.219 ? 49  ILE   C CD1  1 ? 
ATOM   4421 H H    . ILE   C 1 37  ? 23.119 13.124  -27.416 1   15.349 ? 49  ILE   C H    1 c 
ATOM   4422 H HA   . ILE   C 1 37  ? 22.452 14.578  -25.271 1   16.208 ? 49  ILE   C HA   1 c 
ATOM   4423 H HB   . ILE   C 1 37  ? 22.53  11.753  -25.428 1   17.234 ? 49  ILE   C HB   1 c 
ATOM   4424 H HG12 . ILE   C 1 37  ? 20.311 13.493  -25.688 1   19.608 ? 49  ILE   C HG12 1 c 
ATOM   4425 H HG13 . ILE   C 1 37  ? 21.017 12.77   -26.905 1   19.488 ? 49  ILE   C HG13 1 c 
ATOM   4426 H HG21 . ILE   C 1 37  ? 21.167 11.657  -23.503 1   16.81  ? 49  ILE   C HG21 1 c 
ATOM   4427 H HG22 . ILE   C 1 37  ? 21.26  13.232  -23.35  1   16.804 ? 49  ILE   C HG22 1 c 
ATOM   4428 H HG23 . ILE   C 1 37  ? 22.55  12.335  -23.139 1   16.793 ? 49  ILE   C HG23 1 c 
ATOM   4429 H HD11 . ILE   C 1 37  ? 20.324 10.679  -26.027 1   22.425 ? 49  ILE   C HD11 1 c 
ATOM   4430 H HD12 . ILE   C 1 37  ? 19.088 11.608  -26.41  1   22.343 ? 49  ILE   C HD12 1 c 
ATOM   4431 H HD13 . ILE   C 1 37  ? 19.522 11.449  -24.887 1   22.55  ? 49  ILE   C HD13 1 c 
ATOM   4432 N N    . GLY   C 1 38  ? 24.178 14.61   -23.524 1   18.243 ? 50  GLY   C N    1 ? 
ATOM   4433 C CA   . GLY   C 1 38  ? 25.298 14.748  -22.614 1   18.655 ? 50  GLY   C CA   1 ? 
ATOM   4434 C C    . GLY   C 1 38  ? 26.196 15.941  -22.922 1   17.932 ? 50  GLY   C C    1 ? 
ATOM   4435 O O    . GLY   C 1 38  ? 26.975 16.369  -22.048 1   20.088 ? 50  GLY   C O    1 ? 
ATOM   4436 H H    . GLY   C 1 38  ? 23.437 15.127  -23.387 1   17.944 ? 50  GLY   C H    1 c 
ATOM   4437 H HA2  . GLY   C 1 38  ? 24.946 14.841  -21.697 1   18.397 ? 50  GLY   C HA2  1 c 
ATOM   4438 H HA3  . GLY   C 1 38  ? 25.837 13.923  -22.643 1   18.495 ? 50  GLY   C HA3  1 c 
ATOM   4439 N N    . ASP   C 1 39  ? 26.16  16.427  -24.158 1   16.171 ? 51  ASP   C N    1 ? 
ATOM   4440 C CA   . ASP   C 1 39  ? 27.023 17.539  -24.524 1   15.918 ? 51  ASP   C CA   1 ? 
ATOM   4441 C C    . ASP   C 1 39  ? 26.618 18.782  -23.753 1   15.766 ? 51  ASP   C C    1 ? 
ATOM   4442 O O    . ASP   C 1 39  ? 25.429 19      -23.475 1   14.605 ? 51  ASP   C O    1 ? 
ATOM   4443 C CB   . ASP   C 1 39  ? 27.027 17.829  -26.021 1   16.166 ? 51  ASP   C CB   1 ? 
ATOM   4444 C CG   . ASP   C 1 39  ? 27.744 16.818  -26.913 1   16.523 ? 51  ASP   C CG   1 ? 
ATOM   4445 O OD1  . ASP   C 1 39  ? 28.407 15.908  -26.35  1   17.569 ? 51  ASP   C OD1  1 ? 
ATOM   4446 O OD2  . ASP   C 1 39  ? 27.62  16.96   -28.142 1   16.76  ? 51  ASP   C OD2  1 ? 
ATOM   4447 H H    . ASP   C 1 39  ? 25.599 16.069  -24.784 1   16.491 ? 51  ASP   C H    1 c 
ATOM   4448 H HA   . ASP   C 1 39  ? 27.944 17.304  -24.269 1   15.988 ? 51  ASP   C HA   1 c 
ATOM   4449 H HB2  . ASP   C 1 39  ? 26.098 17.892  -26.326 1   16.172 ? 51  ASP   C HB2  1 c 
ATOM   4450 H HB3  . ASP   C 1 39  ? 27.447 18.702  -26.167 1   16.206 ? 51  ASP   C HB3  1 c 
ATOM   4451 N N    . LYS   C 1 40  ? 27.617 19.597  -23.45  1   16.905 ? 52  LYS   C N    1 ? 
ATOM   4452 C CA   . LYS   C 1 40  ? 27.4   20.892  -22.837 1   17.986 ? 52  LYS   C CA   1 ? 
ATOM   4453 C C    . LYS   C 1 40  ? 27.135 21.867  -23.968 1   16.042 ? 52  LYS   C C    1 ? 
ATOM   4454 O O    . LYS   C 1 40  ? 27.973 22.018  -24.87  1   17.696 ? 52  LYS   C O    1 ? 
ATOM   4455 C CB   . LYS   C 1 40  ? 28.585 21.237  -21.93  1   20.236 ? 52  LYS   C CB   1 ? 
ATOM   4456 C CG   . LYS   C 1 40  ? 28.427 22.483  -21.105 1   22.582 ? 52  LYS   C CG   1 ? 
ATOM   4457 C CD   . LYS   C 1 40  ? 29.56  22.657  -20.107 1   27.985 ? 52  LYS   C CD   1 ? 
ATOM   4458 H H    . LYS   C 1 40  ? 28.474 19.339  -23.634 1   16.755 ? 52  LYS   C H    1 c 
ATOM   4459 H HA   . LYS   C 1 40  ? 26.588 20.835  -22.271 1   17.702 ? 52  LYS   C HA   1 c 
ATOM   4460 H HB2  . LYS   C 1 40  ? 28.742 20.482  -21.324 1   20.254 ? 52  LYS   C HB2  1 c 
ATOM   4461 H HB3  . LYS   C 1 40  ? 29.385 21.338  -22.49  1   20.267 ? 52  LYS   C HB3  1 c 
ATOM   4462 H HG2  . LYS   C 1 40  ? 28.4   23.26   -21.704 1   22.815 ? 52  LYS   C HG2  1 c 
ATOM   4463 H HG3  . LYS   C 1 40  ? 27.573 22.438  -20.622 1   22.888 ? 52  LYS   C HG3  1 c 
ATOM   4464 H HD2  . LYS   C 1 40  ? 30.426 22.571  -20.599 0   28.01  ? 52  LYS   C HD2  1 c 
ATOM   4465 H HD3  . LYS   C 1 40  ? 29.198 22.822  -19.229 0   28.01  ? 52  LYS   C HD3  1 c 
ATOM   4466 N N    . VAL   C 1 41  ? 26.003 22.542  -23.904 1   14.429 ? 53  VAL   C N    1 ? 
ATOM   4467 C CA   . VAL   C 1 41  ? 25.546 23.416  -24.973 1   14.129 ? 53  VAL   C CA   1 ? 
ATOM   4468 C C    . VAL   C 1 41  ? 25.497 24.855  -24.475 1   13.25  ? 53  VAL   C C    1 ? 
ATOM   4469 O O    . VAL   C 1 41  ? 25.071 25.107  -23.362 1   13.644 ? 53  VAL   C O    1 ? 
ATOM   4470 C CB   . VAL   C 1 41  ? 24.165 22.948  -25.475 1   15.294 ? 53  VAL   C CB   1 ? 
ATOM   4471 C CG1  . VAL   C 1 41  ? 23.586 23.889  -26.482 1   18.195 ? 53  VAL   C CG1  1 ? 
ATOM   4472 C CG2  . VAL   C 1 41  ? 24.219 21.553  -26.085 1   16.143 ? 53  VAL   C CG2  1 ? 
ATOM   4473 H H    . VAL   C 1 41  ? 25.482 22.462  -23.157 1   14.526 ? 53  VAL   C H    1 c 
ATOM   4474 H HA   . VAL   C 1 41  ? 26.181 23.361  -25.713 1   14.227 ? 53  VAL   C HA   1 c 
ATOM   4475 H HB   . VAL   C 1 41  ? 23.561 22.921  -24.696 1   15.514 ? 53  VAL   C HB   1 c 
ATOM   4476 H HG11 . VAL   C 1 41  ? 24.202 23.982  -27.225 1   17.5   ? 53  VAL   C HG11 1 c 
ATOM   4477 H HG12 . VAL   C 1 41  ? 23.44  24.757  -26.072 1   17.511 ? 53  VAL   C HG12 1 c 
ATOM   4478 H HG13 . VAL   C 1 41  ? 22.74  23.539  -26.804 1   17.444 ? 53  VAL   C HG13 1 c 
ATOM   4479 H HG21 . VAL   C 1 41  ? 23.332 21.298  -26.391 1   16.014 ? 53  VAL   C HG21 1 c 
ATOM   4480 H HG22 . VAL   C 1 41  ? 24.524 20.917  -25.416 1   15.948 ? 53  VAL   C HG22 1 c 
ATOM   4481 H HG23 . VAL   C 1 41  ? 24.834 21.551  -26.837 1   16.047 ? 53  VAL   C HG23 1 c 
ATOM   4482 N N    . TYR   C 1 42  ? 25.968 25.771  -25.325 1   12.175 ? 54  TYR   C N    1 ? 
ATOM   4483 C CA   . TYR   C 1 42  ? 26.006 27.203  -25.067 1   12.8   ? 54  TYR   C CA   1 ? 
ATOM   4484 C C    . TYR   C 1 42  ? 25.094 27.898  -26.075 1   12.375 ? 54  TYR   C C    1 ? 
ATOM   4485 O O    . TYR   C 1 42  ? 25.31  27.787  -27.291 1   12.972 ? 54  TYR   C O    1 ? 
ATOM   4486 C CB   . TYR   C 1 42  ? 27.429 27.735  -25.292 1   13.576 ? 54  TYR   C CB   1 ? 
ATOM   4487 C CG   . TYR   C 1 42  ? 28.425 27.166  -24.312 1   16.375 ? 54  TYR   C CG   1 ? 
ATOM   4488 C CD1  . TYR   C 1 42  ? 28.861 25.847  -24.432 1   19.103 ? 54  TYR   C CD1  1 ? 
ATOM   4489 C CD2  . TYR   C 1 42  ? 28.96  27.942  -23.287 1   18.751 ? 54  TYR   C CD2  1 ? 
ATOM   4490 C CE1  . TYR   C 1 42  ? 29.777 25.316  -23.532 1   23.453 ? 54  TYR   C CE1  1 ? 
ATOM   4491 C CE2  . TYR   C 1 42  ? 29.886 27.423  -22.402 1   21.065 ? 54  TYR   C CE2  1 ? 
ATOM   4492 C CZ   . TYR   C 1 42  ? 30.305 26.115  -22.524 1   22.777 ? 54  TYR   C CZ   1 ? 
ATOM   4493 O OH   . TYR   C 1 42  ? 31.234 25.645  -21.625 1   27.669 ? 54  TYR   C OH   1 ? 
ATOM   4494 H H    . TYR   C 1 42  ? 26.288 25.48   -26.131 1   12.554 ? 54  TYR   C H    1 c 
ATOM   4495 H HA   . TYR   C 1 42  ? 25.708 27.395  -24.139 1   12.658 ? 54  TYR   C HA   1 c 
ATOM   4496 H HB2  . TYR   C 1 42  ? 27.711 27.509  -26.206 1   13.821 ? 54  TYR   C HB2  1 c 
ATOM   4497 H HB3  . TYR   C 1 42  ? 27.417 28.715  -25.206 1   13.783 ? 54  TYR   C HB3  1 c 
ATOM   4498 H HD1  . TYR   C 1 42  ? 28.516 25.301  -25.12  1   19.006 ? 54  TYR   C HD1  1 c 
ATOM   4499 H HD2  . TYR   C 1 42  ? 28.686 28.841  -23.195 1   18.485 ? 54  TYR   C HD2  1 c 
ATOM   4500 H HE1  . TYR   C 1 42  ? 30.065 24.424  -23.623 1   22.339 ? 54  TYR   C HE1  1 c 
ATOM   4501 H HE2  . TYR   C 1 42  ? 30.234 27.964  -21.714 1   20.789 ? 54  TYR   C HE2  1 c 
ATOM   4502 H HH   . TYR   C 1 42  ? 31.416 24.819  -21.804 0   28.08  ? 54  TYR   C HH   1 c 
ATOM   4503 N N    . VAL   C 1 43  ? 24.1   28.646  -25.595 1   11.287 ? 55  VAL   C N    1 ? 
ATOM   4504 C CA   . VAL   C 1 43  ? 23.175 29.328  -26.468 1   11.779 ? 55  VAL   C CA   1 ? 
ATOM   4505 C C    . VAL   C 1 43  ? 22.925 30.767  -26.008 1   12.817 ? 55  VAL   C C    1 ? 
ATOM   4506 O O    . VAL   C 1 43  ? 23.143 31.102  -24.832 1   13.563 ? 55  VAL   C O    1 ? 
ATOM   4507 C CB   . VAL   C 1 43  ? 21.813 28.624  -26.566 1   12.057 ? 55  VAL   C CB   1 ? 
ATOM   4508 C CG1  . VAL   C 1 43  ? 21.967 27.168  -26.941 1   11.801 ? 55  VAL   C CG1  1 ? 
ATOM   4509 C CG2  . VAL   C 1 43  ? 20.962 28.731  -25.311 1   11.506 ? 55  VAL   C CG2  1 ? 
ATOM   4510 H H    . VAL   C 1 43  ? 23.997 28.733  -24.691 1   11.37  ? 55  VAL   C H    1 c 
ATOM   4511 H HA   . VAL   C 1 43  ? 23.566 29.359  -27.361 1   11.933 ? 55  VAL   C HA   1 c 
ATOM   4512 H HB   . VAL   C 1 43  ? 21.315 29.063  -27.294 1   11.982 ? 55  VAL   C HB   1 c 
ATOM   4513 H HG11 . VAL   C 1 43  ? 22.472 26.707  -26.252 1   11.993 ? 55  VAL   C HG11 1 c 
ATOM   4514 H HG12 . VAL   C 1 43  ? 22.437 27.099  -27.788 1   12.054 ? 55  VAL   C HG12 1 c 
ATOM   4515 H HG13 . VAL   C 1 43  ? 21.089 26.76   -27.025 1   11.716 ? 55  VAL   C HG13 1 c 
ATOM   4516 H HG21 . VAL   C 1 43  ? 20.135 28.236  -25.437 1   11.576 ? 55  VAL   C HG21 1 c 
ATOM   4517 H HG22 . VAL   C 1 43  ? 20.755 29.664  -25.134 1   11.629 ? 55  VAL   C HG22 1 c 
ATOM   4518 H HG23 . VAL   C 1 43  ? 21.449 28.36   -24.556 1   11.661 ? 55  VAL   C HG23 1 c 
ATOM   4519 N N    . HIS   C 1 44  ? 22.399 31.586  -26.945 1   13.614 ? 56  HIS   C N    1 ? 
ATOM   4520 C CA   . HIS   C 1 44  ? 21.618 32.771  -26.605 1   14.665 ? 56  HIS   C CA   1 ? 
ATOM   4521 C C    . HIS   C 1 44  ? 20.167 32.479  -26.987 1   13.905 ? 56  HIS   C C    1 ? 
ATOM   4522 O O    . HIS   C 1 44  ? 19.921 31.772  -27.954 1   15.965 ? 56  HIS   C O    1 ? 
ATOM   4523 C CB   . HIS   C 1 44  ? 22.17  34.028  -27.295 1   17.412 ? 56  HIS   C CB   1 ? 
ATOM   4524 C CG   . HIS   C 1 44  ? 23.219 34.693  -26.452 1   20.997 ? 56  HIS   C CG   1 ? 
ATOM   4525 N ND1  . HIS   C 1 44  ? 22.928 35.117  -25.162 1   27.143 ? 56  HIS   C ND1  1 ? 
ATOM   4526 C CD2  . HIS   C 1 44  ? 24.507 35.021  -26.667 1   23.302 ? 56  HIS   C CD2  1 ? 
ATOM   4527 C CE1  . HIS   C 1 44  ? 24.013 35.667  -24.646 1   27.259 ? 56  HIS   C CE1  1 ? 
ATOM   4528 N NE2  . HIS   C 1 44  ? 24.984 35.58   -25.544 1   25.874 ? 56  HIS   C NE2  1 ? 
ATOM   4529 H H    . HIS   C 1 44  ? 22.536 31.394  -27.828 1   13.41  ? 56  HIS   C H    1 c 
ATOM   4530 H HA   . HIS   C 1 44  ? 21.66  32.894  -25.627 1   14.715 ? 56  HIS   C HA   1 c 
ATOM   4531 H HB2  . HIS   C 1 44  ? 22.561 33.775  -28.16  1   17.333 ? 56  HIS   C HB2  1 c 
ATOM   4532 H HB3  . HIS   C 1 44  ? 21.434 34.658  -27.454 1   17.34  ? 56  HIS   C HB3  1 c 
ATOM   4533 H HD1  . HIS   C 1 44  ? 22.157 35.028  -24.747 0   26.89  ? 56  HIS   C HD1  1 c 
ATOM   4534 H HD2  . HIS   C 1 44  ? 25.002 34.854  -27.446 1   23.322 ? 56  HIS   C HD2  1 c 
ATOM   4535 H HE1  . HIS   C 1 44  ? 24.089 36.031  -23.78  1   26.858 ? 56  HIS   C HE1  1 c 
ATOM   4536 H HE2  . HIS   C 1 44  ? 25.816 35.849  -25.419 0   25.82  ? 56  HIS   C HE2  1 c 
ATOM   4537 N N    . TYR   C 1 45  ? 19.222 33.019  -26.195 1   12.213 ? 57  TYR   C N    1 ? 
ATOM   4538 C CA   . TYR   C 1 45  ? 17.826 32.819  -26.509 1   12.476 ? 57  TYR   C CA   1 ? 
ATOM   4539 C C    . TYR   C 1 45  ? 16.993 34.002  -26.06  1   13.546 ? 57  TYR   C C    1 ? 
ATOM   4540 O O    . TYR   C 1 45  ? 17.372 34.763  -25.15  1   13.037 ? 57  TYR   C O    1 ? 
ATOM   4541 C CB   . TYR   C 1 45  ? 17.316 31.522  -25.87  1   12.161 ? 57  TYR   C CB   1 ? 
ATOM   4542 C CG   . TYR   C 1 45  ? 17.049 31.653  -24.386 1   12.454 ? 57  TYR   C CG   1 ? 
ATOM   4543 C CD1  . TYR   C 1 45  ? 15.829 32.087  -23.921 1   13.176 ? 57  TYR   C CD1  1 ? 
ATOM   4544 C CD2  . TYR   C 1 45  ? 18.01  31.341  -23.455 1   13.446 ? 57  TYR   C CD2  1 ? 
ATOM   4545 C CE1  . TYR   C 1 45  ? 15.602 32.294  -22.577 1   12.453 ? 57  TYR   C CE1  1 ? 
ATOM   4546 C CE2  . TYR   C 1 45  ? 17.785 31.49   -22.097 1   13.371 ? 57  TYR   C CE2  1 ? 
ATOM   4547 C CZ   . TYR   C 1 45  ? 16.574 31.978  -21.643 1   13.225 ? 57  TYR   C CZ   1 ? 
ATOM   4548 O OH   . TYR   C 1 45  ? 16.306 32.145  -20.3   1   15.138 ? 57  TYR   C OH   1 ? 
ATOM   4549 H H    . TYR   C 1 45  ? 19.455 33.511  -25.461 1   12.378 ? 57  TYR   C H    1 c 
ATOM   4550 H HA   . TYR   C 1 45  ? 17.742 32.736  -27.493 1   12.501 ? 57  TYR   C HA   1 c 
ATOM   4551 H HB2  . TYR   C 1 45  ? 16.486 31.254  -26.323 1   12.181 ? 57  TYR   C HB2  1 c 
ATOM   4552 H HB3  . TYR   C 1 45  ? 17.985 30.816  -26.015 1   12.278 ? 57  TYR   C HB3  1 c 
ATOM   4553 H HD1  . TYR   C 1 45  ? 15.159 32.326  -24.542 1   12.798 ? 57  TYR   C HD1  1 c 
ATOM   4554 H HD2  . TYR   C 1 45  ? 18.851 31.028  -23.748 1   13.303 ? 57  TYR   C HD2  1 c 
ATOM   4555 H HE1  . TYR   C 1 45  ? 14.763 32.609  -22.289 1   12.75  ? 57  TYR   C HE1  1 c 
ATOM   4556 H HE2  . TYR   C 1 45  ? 18.467 31.28   -21.481 1   13.273 ? 57  TYR   C HE2  1 c 
ATOM   4557 H HH   . TYR   C 1 45  ? 15.515 32.462  -20.198 0   15.2   ? 57  TYR   C HH   1 c 
ATOM   4558 N N    . LYS   C 1 46  ? 15.787 34.031  -26.657 1   14.2   ? 58  LYS   C N    1 ? 
ATOM   4559 C CA   . LYS   C 1 46  ? 14.681 34.866  -26.227 1   15.116 ? 58  LYS   C CA   1 ? 
ATOM   4560 C C    . LYS   C 1 46  ? 13.465 33.965  -26.197 1   15.962 ? 58  LYS   C C    1 ? 
ATOM   4561 O O    . LYS   C 1 46  ? 13.251 33.152  -27.132 1   15.857 ? 58  LYS   C O    1 ? 
ATOM   4562 C CB   . LYS   C 1 46  ? 14.274 36.004  -27.172 1   17.153 ? 58  LYS   C CB   1 ? 
ATOM   4563 C CG   . LYS   C 1 46  ? 15.501 36.746  -27.625 1   18.628 ? 58  LYS   C CG   1 ? 
ATOM   4564 C CD   . LYS   C 1 46  ? 15.372 38.206  -27.978 1   21.762 ? 58  LYS   C CD   1 ? 
ATOM   4565 C CE   . LYS   C 1 46  ? 15.636 38.661  -29.28  1   26.201 ? 58  LYS   C CE   1 ? 
ATOM   4566 N NZ   . LYS   C 1 46  ? 15.913 40.103  -29.226 1   20.862 ? 58  LYS   C NZ   1 ? 
ATOM   4567 H H    . LYS   C 1 46  ? 15.656 33.493  -27.384 1   14.091 ? 58  LYS   C H    1 c 
ATOM   4568 H HA   . LYS   C 1 46  ? 14.867 35.213  -25.32  1   15.292 ? 58  LYS   C HA   1 c 
ATOM   4569 H HB2  . LYS   C 1 46  ? 13.808 35.641  -27.955 1   16.988 ? 58  LYS   C HB2  1 c 
ATOM   4570 H HB3  . LYS   C 1 46  ? 13.669 36.622  -26.71  1   16.837 ? 58  LYS   C HB3  1 c 
ATOM   4571 H HG2  . LYS   C 1 46  ? 16.174 36.668  -26.914 1   18.787 ? 58  LYS   C HG2  1 c 
ATOM   4572 H HG3  . LYS   C 1 46  ? 15.861 36.274  -28.407 1   18.849 ? 58  LYS   C HG3  1 c 
ATOM   4573 H HD2  . LYS   C 1 46  ? 14.459 38.478  -27.75  1   21.662 ? 58  LYS   C HD2  1 c 
ATOM   4574 H HD3  . LYS   C 1 46  ? 15.961 38.697  -27.365 1   21.663 ? 58  LYS   C HD3  1 c 
ATOM   4575 H HE2  . LYS   C 1 46  ? 16.406 38.193  -29.647 1   24.263 ? 58  LYS   C HE2  1 c 
ATOM   4576 H HE3  . LYS   C 1 46  ? 14.866 38.499  -29.853 1   24.398 ? 58  LYS   C HE3  1 c 
ATOM   4577 H HZ1  . LYS   C 1 46  ? 16.668 40.26   -28.751 1   21.401 ? 58  LYS   C HZ1  1 c 
ATOM   4578 H HZ2  . LYS   C 1 46  ? 15.218 40.536  -28.837 1   21.742 ? 58  LYS   C HZ2  1 c 
ATOM   4579 H HZ3  . LYS   C 1 46  ? 16.024 40.421  -30.068 1   21.601 ? 58  LYS   C HZ3  1 c 
ATOM   4580 N N    . GLY   C 1 47  ? 12.685 34.113  -25.136 1   16.04  ? 59  GLY   C N    1 ? 
ATOM   4581 C CA   . GLY   C 1 47  ? 11.492 33.312  -24.983 1   16.913 ? 59  GLY   C CA   1 ? 
ATOM   4582 C C    . GLY   C 1 47  ? 10.318 34.17   -24.545 1   16.711 ? 59  GLY   C C    1 ? 
ATOM   4583 O O    . GLY   C 1 47  ? 10.476 35.187  -23.856 1   15.007 ? 59  GLY   C O    1 ? 
ATOM   4584 H H    . GLY   C 1 47  ? 12.899 34.724  -24.491 1   16     ? 59  GLY   C H    1 c 
ATOM   4585 H HA2  . GLY   C 1 47  ? 11.282 32.874  -25.838 1   16.607 ? 59  GLY   C HA2  1 c 
ATOM   4586 H HA3  . GLY   C 1 47  ? 11.658 32.609  -24.311 1   16.694 ? 59  GLY   C HA3  1 c 
ATOM   4587 N N    . LYS   C 1 48  ? 9.126  33.746  -24.956 1   17.379 ? 60  LYS   C N    1 ? 
ATOM   4588 C CA   . LYS   C 1 48  ? 7.949  34.405  -24.433 1   17.378 ? 60  LYS   C CA   1 ? 
ATOM   4589 C C    . LYS   C 1 48  ? 6.773  33.432  -24.391 1   16.615 ? 60  LYS   C C    1 ? 
ATOM   4590 O O    . LYS   C 1 48  ? 6.74   32.431  -25.074 1   15.181 ? 60  LYS   C O    1 ? 
ATOM   4591 C CB   . LYS   C 1 48  ? 7.587  35.627  -25.28  1   18.854 ? 60  LYS   C CB   1 ? 
ATOM   4592 C CG   . LYS   C 1 48  ? 7.368  35.406  -26.771 1   19.42  ? 60  LYS   C CG   1 ? 
ATOM   4593 C CD   . LYS   C 1 48  ? 6.806  36.661  -27.433 1   23.099 ? 60  LYS   C CD   1 ? 
ATOM   4594 C CE   . LYS   C 1 48  ? 6.914  36.692  -28.892 1   28.473 ? 60  LYS   C CE   1 ? 
ATOM   4595 N NZ   . LYS   C 1 48  ? 6.449  37.994  -29.403 1   30.465 ? 60  LYS   C NZ   1 ? 
ATOM   4596 H H    . LYS   C 1 48  ? 9.043  33.059  -25.554 1   17.224 ? 60  LYS   C H    1 c 
ATOM   4597 H HA   . LYS   C 1 48  ? 8.142  34.701  -23.508 1   17.468 ? 60  LYS   C HA   1 c 
ATOM   4598 H HB2  . LYS   C 1 48  ? 6.769  36.022  -24.91  1   18.758 ? 60  LYS   C HB2  1 c 
ATOM   4599 H HB3  . LYS   C 1 48  ? 8.303  36.29   -25.177 1   18.689 ? 60  LYS   C HB3  1 c 
ATOM   4600 H HG2  . LYS   C 1 48  ? 8.223  35.168  -27.19  1   19.656 ? 60  LYS   C HG2  1 c 
ATOM   4601 H HG3  . LYS   C 1 48  ? 6.742  34.66   -26.898 1   19.756 ? 60  LYS   C HG3  1 c 
ATOM   4602 H HD2  . LYS   C 1 48  ? 5.858  36.744  -27.187 1   23.01  ? 60  LYS   C HD2  1 c 
ATOM   4603 H HD3  . LYS   C 1 48  ? 7.273  37.443  -27.065 1   22.97  ? 60  LYS   C HD3  1 c 
ATOM   4604 H HE2  . LYS   C 1 48  ? 7.842  36.557  -29.156 1   27.643 ? 60  LYS   C HE2  1 c 
ATOM   4605 H HE3  . LYS   C 1 48  ? 6.376  35.981  -29.282 1   27.553 ? 60  LYS   C HE3  1 c 
ATOM   4606 H HZ1  . LYS   C 1 48  ? 6.943  38.662  -29.043 1   30.032 ? 60  LYS   C HZ1  1 c 
ATOM   4607 H HZ2  . LYS   C 1 48  ? 5.578  38.115  -29.185 1   29.833 ? 60  LYS   C HZ2  1 c 
ATOM   4608 H HZ3  . LYS   C 1 48  ? 6.535  38.015  -30.305 1   30.187 ? 60  LYS   C HZ3  1 c 
ATOM   4609 N N    . LEU   C 1 49  ? 5.786  33.758  -23.558 1   18.462 ? 61  LEU   C N    1 ? 
ATOM   4610 C CA   . LEU   C 1 49  ? 4.483  33.11   -23.704 1   20.691 ? 61  LEU   C CA   1 ? 
ATOM   4611 C C    . LEU   C 1 49  ? 3.866  33.614  -25.001 1   25.116 ? 61  LEU   C C    1 ? 
ATOM   4612 O O    . LEU   C 1 49  ? 4.101  34.761  -25.383 1   24.807 ? 61  LEU   C O    1 ? 
ATOM   4613 C CB   . LEU   C 1 49  ? 3.616  33.414  -22.494 1   22.077 ? 61  LEU   C CB   1 ? 
ATOM   4614 C CG   . LEU   C 1 49  ? 4.268  33.182  -21.126 1   25.647 ? 61  LEU   C CG   1 ? 
ATOM   4615 C CD1  . LEU   C 1 49  ? 3.356  33.583  -20     1   27.373 ? 61  LEU   C CD1  1 ? 
ATOM   4616 C CD2  . LEU   C 1 49  ? 4.699  31.746  -20.931 1   26.214 ? 61  LEU   C CD2  1 ? 
ATOM   4617 H H    . LEU   C 1 49  ? 5.912  34.39   -22.909 1   18.347 ? 61  LEU   C H    1 c 
ATOM   4618 H HA   . LEU   C 1 49  ? 4.621  32.131  -23.77  1   21.004 ? 61  LEU   C HA   1 c 
ATOM   4619 H HB2  . LEU   C 1 49  ? 3.335  34.357  -22.548 1   22.236 ? 61  LEU   C HB2  1 c 
ATOM   4620 H HB3  . LEU   C 1 49  ? 2.805  32.858  -22.55  1   22.242 ? 61  LEU   C HB3  1 c 
ATOM   4621 H HG   . LEU   C 1 49  ? 5.078  33.75   -21.07  1   25.338 ? 61  LEU   C HG   1 c 
ATOM   4622 H HD11 . LEU   C 1 49  ? 3.136  34.526  -20.081 1   27.214 ? 61  LEU   C HD11 1 c 
ATOM   4623 H HD12 . LEU   C 1 49  ? 3.802  33.427  -19.15  1   27.167 ? 61  LEU   C HD12 1 c 
ATOM   4624 H HD13 . LEU   C 1 49  ? 2.541  33.056  -20.038 1   26.983 ? 61  LEU   C HD13 1 c 
ATOM   4625 H HD21 . LEU   C 1 49  ? 5.376  31.521  -21.589 1   26.166 ? 61  LEU   C HD21 1 c 
ATOM   4626 H HD22 . LEU   C 1 49  ? 3.933  31.158  -21.04  1   26.085 ? 61  LEU   C HD22 1 c 
ATOM   4627 H HD23 . LEU   C 1 49  ? 5.067  31.635  -20.039 1   26.109 ? 61  LEU   C HD23 1 c 
ATOM   4628 N N    . SER   C 1 50  ? 3.139  32.744  -25.712 1   31.408 ? 62  SER   C N    1 ? 
ATOM   4629 C CA   . SER   C 1 50  ? 2.443  33.157  -26.935 1   38.152 ? 62  SER   C CA   1 ? 
ATOM   4630 C C    . SER   C 1 50  ? 1.496  34.311  -26.633 1   42.271 ? 62  SER   C C    1 ? 
ATOM   4631 O O    . SER   C 1 50  ? 1.601  35.388  -27.21  1   51.591 ? 62  SER   C O    1 ? 
ATOM   4632 C CB   . SER   C 1 50  ? 1.637  32.024  -27.546 1   38.446 ? 62  SER   C CB   1 ? 
ATOM   4633 O OG   . SER   C 1 50  ? 2.485  30.961  -27.904 1   45.539 ? 62  SER   C OG   1 ? 
ATOM   4634 H H    . SER   C 1 50  ? 3.07   31.876  -25.434 1   30.433 ? 62  SER   C H    1 c 
ATOM   4635 H HA   . SER   C 1 50  ? 3.117  33.464  -27.593 1   37.339 ? 62  SER   C HA   1 c 
ATOM   4636 H HB2  . SER   C 1 50  ? 0.973  31.71   -26.905 1   39.488 ? 62  SER   C HB2  1 c 
ATOM   4637 H HB3  . SER   C 1 50  ? 1.17   32.349  -28.34  1   38.803 ? 62  SER   C HB3  1 c 
ATOM   4638 H HG   . SER   C 1 50  ? 2.088  30.352  -28.26  0   46.13  ? 62  SER   C HG   1 c 
ATOM   4639 N N    . ASN   C 1 51  ? 0.531  34.02   -25.758 1   52.358 ? 63  ASN   C N    1 ? 
ATOM   4640 C CA   . ASN   C 1 51  ? -0.636 34.863  -25.544 1   61.111 ? 63  ASN   C CA   1 ? 
ATOM   4641 C C    . ASN   C 1 51  ? -0.465 35.481  -24.166 1   67.989 ? 63  ASN   C C    1 ? 
ATOM   4642 O O    . ASN   C 1 51  ? -1.215 35.189  -23.238 1   80.245 ? 63  ASN   C O    1 ? 
ATOM   4643 C CB   . ASN   C 1 51  ? -1.948 34.085  -25.686 1   62.353 ? 63  ASN   C CB   1 ? 
ATOM   4644 H H    . ASN   C 1 51  ? 0.604  33.253  -25.265 1   51.104 ? 63  ASN   C H    1 c 
ATOM   4645 H HA   . ASN   C 1 51  ? -0.637 35.58   -26.217 1   60.541 ? 63  ASN   C HA   1 c 
ATOM   4646 H HB2  . ASN   C 1 51  ? -1.761 33.156  -25.874 0   62.78  ? 63  ASN   C HB2  1 c 
ATOM   4647 H HB3  . ASN   C 1 51  ? -2.693 34.72   -25.563 0   62.78  ? 63  ASN   C HB3  1 c 
ATOM   4648 N N    . GLY   C 1 52  ? 0.567  36.308  -24.035 1   65.173 ? 64  GLY   C N    1 ? 
ATOM   4649 C CA   . GLY   C 1 52  ? 0.933  36.811  -22.73  1   65.144 ? 64  GLY   C CA   1 ? 
ATOM   4650 C C    . GLY   C 1 52  ? 2.09   37.792  -22.83  1   63.91  ? 64  GLY   C C    1 ? 
ATOM   4651 O O    . GLY   C 1 52  ? 2.808  37.836  -23.836 1   73.886 ? 64  GLY   C O    1 ? 
ATOM   4652 H H    . GLY   C 1 52  ? 1.045  36.569  -24.77  1   66.11  ? 64  GLY   C H    1 c 
ATOM   4653 H HA2  . GLY   C 1 52  ? 0.153  37.258  -22.324 1   65.244 ? 64  GLY   C HA2  1 c 
ATOM   4654 H HA3  . GLY   C 1 52  ? 1.188  36.055  -22.151 1   65.086 ? 64  GLY   C HA3  1 c 
ATOM   4655 N N    . LYS   C 1 53  ? 2.233  38.577  -21.764 1   55.523 ? 65  LYS   C N    1 ? 
ATOM   4656 C CA   . LYS   C 1 53  ? 3.369  39.461  -21.626 1   50.659 ? 65  LYS   C CA   1 ? 
ATOM   4657 C C    . LYS   C 1 53  ? 4.271  38.865  -20.546 1   42.483 ? 65  LYS   C C    1 ? 
ATOM   4658 O O    . LYS   C 1 53  ? 4.38   39.429  -19.459 1   43.077 ? 65  LYS   C O    1 ? 
ATOM   4659 C CB   . LYS   C 1 53  ? 2.9    40.902  -21.344 1   47.663 ? 65  LYS   C CB   1 ? 
ATOM   4660 H H    . LYS   C 1 53  ? 1.604  38.558  -21.101 1   56.231 ? 65  LYS   C H    1 c 
ATOM   4661 H HA   . LYS   C 1 53  ? 3.87   39.463  -22.481 1   49.649 ? 65  LYS   C HA   1 c 
ATOM   4662 H HB2  . LYS   C 1 53  ? 3.694  41.469  -21.254 0   48.56  ? 65  LYS   C HB2  1 c 
ATOM   4663 H HB3  . LYS   C 1 53  ? 1.923  40.915  -21.358 0   48.56  ? 65  LYS   C HB3  1 c 
ATOM   4664 N N    . LYS   C 1 54  ? 4.891  37.708  -20.824 1   30.435 ? 66  LYS   C N    1 ? 
ATOM   4665 C CA   . LYS   C 1 54  ? 6.144  37.393  -20.154 1   26.645 ? 66  LYS   C CA   1 ? 
ATOM   4666 C C    . LYS   C 1 54  ? 7.166  37.143  -21.256 1   25.189 ? 66  LYS   C C    1 ? 
ATOM   4667 O O    . LYS   C 1 54  ? 6.884  36.401  -22.181 1   26.058 ? 66  LYS   C O    1 ? 
ATOM   4668 C CB   . LYS   C 1 54  ? 6.11   36.226  -19.157 1   27.796 ? 66  LYS   C CB   1 ? 
ATOM   4669 H H    . LYS   C 1 54  ? 4.536  37.12   -21.427 1   30.661 ? 66  LYS   C H    1 c 
ATOM   4670 H HA   . LYS   C 1 54  ? 6.429  38.197  -19.651 1   27.142 ? 66  LYS   C HA   1 c 
ATOM   4671 H HB2  . LYS   C 1 54  ? 7.015  35.959  -18.933 0   28.59  ? 66  LYS   C HB2  1 c 
ATOM   4672 H HB3  . LYS   C 1 54  ? 5.157  36.001  -18.968 0   28.59  ? 66  LYS   C HB3  1 c 
ATOM   4673 N N    . PHE   C 1 55  ? 8.313  37.805  -21.111 1   21.259 ? 67  PHE   C N    1 ? 
ATOM   4674 C CA   . PHE   C 1 55  ? 9.429  37.726  -22.052 1   17.415 ? 67  PHE   C CA   1 ? 
ATOM   4675 C C    . PHE   C 1 55  ? 10.705 37.547  -21.238 1   17.301 ? 67  PHE   C C    1 ? 
ATOM   4676 O O    . PHE   C 1 55  ? 10.806 38.083  -20.149 1   21.392 ? 67  PHE   C O    1 ? 
ATOM   4677 C CB   . PHE   C 1 55  ? 9.492  39.063  -22.785 1   19.517 ? 67  PHE   C CB   1 ? 
ATOM   4678 C CG   . PHE   C 1 55  ? 10.458 39.114  -23.948 1   20.361 ? 67  PHE   C CG   1 ? 
ATOM   4679 C CD1  . PHE   C 1 55  ? 10.003 38.816  -25.221 1   21.176 ? 67  PHE   C CD1  1 ? 
ATOM   4680 C CD2  . PHE   C 1 55  ? 11.789 39.504  -23.786 1   20.783 ? 67  PHE   C CD2  1 ? 
ATOM   4681 C CE1  . PHE   C 1 55  ? 10.863 38.883  -26.313 1   23.277 ? 67  PHE   C CE1  1 ? 
ATOM   4682 C CE2  . PHE   C 1 55  ? 12.639 39.57   -24.893 1   21.039 ? 67  PHE   C CE2  1 ? 
ATOM   4683 C CZ   . PHE   C 1 55  ? 12.182 39.239  -26.134 1   22.156 ? 67  PHE   C CZ   1 ? 
ATOM   4684 H H    . PHE   C 1 55  ? 8.412  38.342  -20.379 1   20.921 ? 67  PHE   C H    1 c 
ATOM   4685 H HA   . PHE   C 1 55  ? 9.301  36.977  -22.689 1   18.296 ? 67  PHE   C HA   1 c 
ATOM   4686 H HB2  . PHE   C 1 55  ? 8.591  39.278  -23.114 1   19.283 ? 67  PHE   C HB2  1 c 
ATOM   4687 H HB3  . PHE   C 1 55  ? 9.743  39.758  -22.137 1   19.121 ? 67  PHE   C HB3  1 c 
ATOM   4688 H HD1  . PHE   C 1 55  ? 9.103  38.56   -25.346 1   21.331 ? 67  PHE   C HD1  1 c 
ATOM   4689 H HD2  . PHE   C 1 55  ? 12.113 39.723  -22.927 1   20.755 ? 67  PHE   C HD2  1 c 
ATOM   4690 H HE1  . PHE   C 1 55  ? 10.547 38.664  -27.175 1   22.65  ? 67  PHE   C HE1  1 c 
ATOM   4691 H HE2  . PHE   C 1 55  ? 13.542 39.819  -24.776 1   21.174 ? 67  PHE   C HE2  1 c 
ATOM   4692 H HZ   . PHE   C 1 55  ? 12.76  39.285  -26.876 1   22.056 ? 67  PHE   C HZ   1 c 
ATOM   4693 N N    . ASP   C 1 56  ? 11.627 36.762  -21.76  1   14.628 ? 68  ASP   C N    1 ? 
ATOM   4694 C CA   . ASP   C 1 56  ? 12.852 36.379  -21.084 1   14.739 ? 68  ASP   C CA   1 ? 
ATOM   4695 C C    . ASP   C 1 56  ? 13.94  36.304  -22.138 1   16.091 ? 68  ASP   C C    1 ? 
ATOM   4696 O O    . ASP   C 1 56  ? 13.716 35.869  -23.265 1   18.477 ? 68  ASP   C O    1 ? 
ATOM   4697 C CB   . ASP   C 1 56  ? 12.673 35.045  -20.398 1   15.298 ? 68  ASP   C CB   1 ? 
ATOM   4698 C CG   . ASP   C 1 56  ? 13.899 34.427  -19.76  1   16.412 ? 68  ASP   C CG   1 ? 
ATOM   4699 O OD1  . ASP   C 1 56  ? 14.596 35.157  -19.054 1   21.712 ? 68  ASP   C OD1  1 ? 
ATOM   4700 O OD2  . ASP   C 1 56  ? 14.09  33.226  -19.94  1   17.382 ? 68  ASP   C OD2  1 ? 
ATOM   4701 H H    . ASP   C 1 56  ? 11.487 36.437  -22.603 1   14.994 ? 68  ASP   C H    1 c 
ATOM   4702 H HA   . ASP   C 1 56  ? 13.083 37.069  -20.421 1   15.023 ? 68  ASP   C HA   1 c 
ATOM   4703 H HB2  . ASP   C 1 56  ? 11.995 35.15   -19.698 1   15.186 ? 68  ASP   C HB2  1 c 
ATOM   4704 H HB3  . ASP   C 1 56  ? 12.323 34.407  -21.055 1   15.41  ? 68  ASP   C HB3  1 c 
ATOM   4705 N N    . SER   C 1 57  ? 15.131 36.734  -21.739 1   19.473 ? 69  SER   C N    1 ? 
ATOM   4706 C CA   . SER   C 1 57  ? 16.245 36.741  -22.656 1   20.861 ? 69  SER   C CA   1 ? 
ATOM   4707 C C    . SER   C 1 57  ? 17.521 36.415  -21.893 1   19.707 ? 69  SER   C C    1 ? 
ATOM   4708 O O    . SER   C 1 57  ? 17.772 36.984  -20.826 1   19.408 ? 69  SER   C O    1 ? 
ATOM   4709 C CB   . SER   C 1 57  ? 16.352 38.071  -23.325 1   21.979 ? 69  SER   C CB   1 ? 
ATOM   4710 O OG   . SER   C 1 57  ? 17.435 38.016  -24.258 1   31.72  ? 69  SER   C OG   1 ? 
ATOM   4711 H H    . SER   C 1 57  ? 15.253 37.027  -20.882 1   18.998 ? 69  SER   C H    1 c 
ATOM   4712 H HA   . SER   C 1 57  ? 16.098 36.044  -23.343 1   20.569 ? 69  SER   C HA   1 c 
ATOM   4713 H HB2  . SER   C 1 57  ? 15.52  38.275  -23.792 1   22.504 ? 69  SER   C HB2  1 c 
ATOM   4714 H HB3  . SER   C 1 57  ? 16.521 38.763  -22.661 1   23.111 ? 69  SER   C HB3  1 c 
ATOM   4715 H HG   . SER   C 1 57  ? 17.49  38.776  -24.64  0   32.3   ? 69  SER   C HG   1 c 
ATOM   4716 N N    . SER   C 1 58  ? 18.346 35.567  -22.473 1   17.044 ? 70  SER   C N    1 ? 
ATOM   4717 C CA   . SER   C 1 58  ? 19.725 35.371  -21.999 1   18.747 ? 70  SER   C CA   1 ? 
ATOM   4718 C C    . SER   C 1 58  ? 20.553 36.648  -22.114 1   20.362 ? 70  SER   C C    1 ? 
ATOM   4719 O O    . SER   C 1 58  ? 21.506 36.865  -21.342 1   22.575 ? 70  SER   C O    1 ? 
ATOM   4720 C CB   . SER   C 1 58  ? 20.386 34.256  -22.728 1   17.483 ? 70  SER   C CB   1 ? 
ATOM   4721 O OG   . SER   C 1 58  ? 20.518 34.51   -24.127 1   16.102 ? 70  SER   C OG   1 ? 
ATOM   4722 H H    . SER   C 1 58  ? 18.056 35.084  -23.193 1   17.534 ? 70  SER   C H    1 c 
ATOM   4723 H HA   . SER   C 1 58  ? 19.681 35.124  -21.04  1   18.541 ? 70  SER   C HA   1 c 
ATOM   4724 H HB2  . SER   C 1 58  ? 21.272 34.108  -22.346 1   17.251 ? 70  SER   C HB2  1 c 
ATOM   4725 H HB3  . SER   C 1 58  ? 19.866 33.44   -22.6   1   17.295 ? 70  SER   C HB3  1 c 
ATOM   4726 H HG   . SER   C 1 58  ? 20.899 33.848  -24.487 0   16.5   ? 70  SER   C HG   1 c 
ATOM   4727 N N    . HIS   C 1 59  ? 20.184 37.508  -23.072 1   21.05  ? 71  HIS   C N    1 ? 
ATOM   4728 C CA   . HIS   C 1 59  ? 20.915 38.759  -23.279 1   26.64  ? 71  HIS   C CA   1 ? 
ATOM   4729 C C    . HIS   C 1 59  ? 20.749 39.704  -22.086 1   32.064 ? 71  HIS   C C    1 ? 
ATOM   4730 O O    . HIS   C 1 59  ? 21.532 40.621  -21.934 1   33.993 ? 71  HIS   C O    1 ? 
ATOM   4731 C CB   . HIS   C 1 59  ? 20.482 39.421  -24.59  1   29.971 ? 71  HIS   C CB   1 ? 
ATOM   4732 C CG   . HIS   C 1 59  ? 20.651 38.547  -25.794 1   37.303 ? 71  HIS   C CG   1 ? 
ATOM   4733 N ND1  . HIS   C 1 59  ? 19.569 37.89   -26.359 1   41.217 ? 71  HIS   C ND1  1 ? 
ATOM   4734 C CD2  . HIS   C 1 59  ? 21.723 38.245  -26.559 1   39.778 ? 71  HIS   C CD2  1 ? 
ATOM   4735 C CE1  . HIS   C 1 59  ? 19.973 37.235  -27.452 1   41.433 ? 71  HIS   C CE1  1 ? 
ATOM   4736 N NE2  . HIS   C 1 59  ? 21.281 37.41   -27.564 1   38.262 ? 71  HIS   C NE2  1 ? 
ATOM   4737 H H    . HIS   C 1 59  ? 19.473 37.314  -23.611 1   21.831 ? 71  HIS   C H    1 c 
ATOM   4738 H HA   . HIS   C 1 59  ? 21.874 38.531  -23.356 1   26.501 ? 71  HIS   C HA   1 c 
ATOM   4739 H HB2  . HIS   C 1 59  ? 19.538 39.68   -24.514 1   30.159 ? 71  HIS   C HB2  1 c 
ATOM   4740 H HB3  . HIS   C 1 59  ? 21.008 40.241  -24.716 1   30.025 ? 71  HIS   C HB3  1 c 
ATOM   4741 H HD1  . HIS   C 1 59  ? 18.732 37.946  -26.106 0   41.13  ? 71  HIS   C HD1  1 c 
ATOM   4742 H HD2  . HIS   C 1 59  ? 22.605 38.537  -26.433 1   38.927 ? 71  HIS   C HD2  1 c 
ATOM   4743 H HE1  . HIS   C 1 59  ? 19.436 36.697  -28.006 1   40.802 ? 71  HIS   C HE1  1 c 
ATOM   4744 H HE2  . HIS   C 1 59  ? 21.807 37.078  -28.186 0   38.51  ? 71  HIS   C HE2  1 c 
ATOM   4745 N N    . ASP   C 1 60  ? 19.746 39.496  -21.225 1   34.774 ? 72  ASP   C N    1 ? 
ATOM   4746 C CA   . ASP   C 1 60  ? 19.635 40.304  -20.016 1   38.875 ? 72  ASP   C CA   1 ? 
ATOM   4747 C C    . ASP   C 1 60  ? 20.786 40.092  -19.048 1   35.586 ? 72  ASP   C C    1 ? 
ATOM   4748 O O    . ASP   C 1 60  ? 21.163 41.045  -18.387 1   47.127 ? 72  ASP   C O    1 ? 
ATOM   4749 C CB   . ASP   C 1 60  ? 18.326 40.074  -19.287 1   42.279 ? 72  ASP   C CB   1 ? 
ATOM   4750 C CG   . ASP   C 1 60  ? 17.196 40.894  -19.872 1   50.367 ? 72  ASP   C CG   1 ? 
ATOM   4751 O OD1  . ASP   C 1 60  ? 17.11  42.089  -19.472 1   57.442 ? 72  ASP   C OD1  1 ? 
ATOM   4752 O OD2  . ASP   C 1 60  ? 16.48  40.338  -20.767 1   50.833 ? 72  ASP   C OD2  1 ? 
ATOM   4753 H H    . ASP   C 1 60  ? 19.116 38.857  -21.396 1   34.587 ? 72  ASP   C H    1 c 
ATOM   4754 H HA   . ASP   C 1 60  ? 19.643 41.25   -20.289 1   37.986 ? 72  ASP   C HA   1 c 
ATOM   4755 H HB2  . ASP   C 1 60  ? 18.085 39.126  -19.333 1   42.325 ? 72  ASP   C HB2  1 c 
ATOM   4756 H HB3  . ASP   C 1 60  ? 18.428 40.319  -18.343 1   42.12  ? 72  ASP   C HB3  1 c 
ATOM   4757 N N    . ARG   C 1 61  ? 21.298 38.863  -18.94  1   28.047 ? 73  ARG   C N    1 ? 
ATOM   4758 C CA   . ARG   C 1 61  ? 22.456 38.556  -18.102 1   27.542 ? 73  ARG   C CA   1 ? 
ATOM   4759 C C    . ARG   C 1 61  ? 23.749 38.894  -18.857 1   26.768 ? 73  ARG   C C    1 ? 
ATOM   4760 O O    . ARG   C 1 61  ? 24.827 38.853  -18.269 1   30.237 ? 73  ARG   C O    1 ? 
ATOM   4761 C CB   . ARG   C 1 61  ? 22.447 37.057  -17.717 1   32.73  ? 73  ARG   C CB   1 ? 
ATOM   4762 H H    . ARG   C 1 61  ? 20.907 38.182  -19.407 1   29.091 ? 73  ARG   C H    1 c 
ATOM   4763 H HA   . ARG   C 1 61  ? 22.408 39.106  -17.279 1   28.117 ? 73  ARG   C HA   1 c 
ATOM   4764 H HB2  . ARG   C 1 61  ? 23.364 36.743  -17.636 0   32.62  ? 73  ARG   C HB2  1 c 
ATOM   4765 H HB3  . ARG   C 1 61  ? 21.505 36.756  -17.639 0   32.62  ? 73  ARG   C HB3  1 c 
ATOM   4766 N N    . ASN   C 1 62  ? 23.642 39.156  -20.174 1   23.881 ? 74  ASN   C N    1 ? 
ATOM   4767 C CA   . ASN   C 1 62  ? 24.782 39.337  -21.067 1   24.404 ? 74  ASN   C CA   1 ? 
ATOM   4768 C C    . ASN   C 1 62  ? 25.76  38.17   -20.947 1   20.755 ? 74  ASN   C C    1 ? 
ATOM   4769 O O    . ASN   C 1 62  ? 26.974 38.336  -21.021 1   20.384 ? 74  ASN   C O    1 ? 
ATOM   4770 C CB   . ASN   C 1 62  ? 25.45  40.7    -20.861 1   27.548 ? 74  ASN   C CB   1 ? 
ATOM   4771 C CG   . ASN   C 1 62  ? 26.356 41.028  -22.024 1   27.859 ? 74  ASN   C CG   1 ? 
ATOM   4772 O OD1  . ASN   C 1 62  ? 26.01  40.75   -23.184 1   31.795 ? 74  ASN   C OD1  1 ? 
ATOM   4773 N ND2  . ASN   C 1 62  ? 27.556 41.508  -21.745 1   30.692 ? 74  ASN   C ND2  1 ? 
ATOM   4774 H H    . ASN   C 1 62  ? 22.806 39.218  -20.536 1   24.519 ? 74  ASN   C H    1 c 
ATOM   4775 H HA   . ASN   C 1 62  ? 24.43  39.329  -21.986 1   24.075 ? 74  ASN   C HA   1 c 
ATOM   4776 H HB2  . ASN   C 1 62  ? 24.762 41.389  -20.778 1   27.17  ? 74  ASN   C HB2  1 c 
ATOM   4777 H HB3  . ASN   C 1 62  ? 25.971 40.686  -20.034 1   27.071 ? 74  ASN   C HB3  1 c 
ATOM   4778 H HD21 . ASN   C 1 62  ? 28.124 41.683  -22.404 1   30.717 ? 74  ASN   C HD21 1 c 
ATOM   4779 H HD22 . ASN   C 1 62  ? 27.795 41.656  -20.904 1   30.312 ? 74  ASN   C HD22 1 c 
ATOM   4780 N N    . GLU   C 1 63  ? 25.209 36.965  -20.861 1   19.708 ? 75  GLU   C N    1 ? 
ATOM   4781 C CA   . GLU   C 1 63  ? 25.99  35.741  -20.716 1   18.312 ? 75  GLU   C CA   1 ? 
ATOM   4782 C C    . GLU   C 1 63  ? 25.216 34.639  -21.435 1   17.768 ? 75  GLU   C C    1 ? 
ATOM   4783 O O    . GLU   C 1 63  ? 23.971 34.634  -21.438 1   19.381 ? 75  GLU   C O    1 ? 
ATOM   4784 C CB   . GLU   C 1 63  ? 26.142 35.254  -19.275 1   21.238 ? 75  GLU   C CB   1 ? 
ATOM   4785 C CG   . GLU   C 1 63  ? 27.004 36.154  -18.4   1   25.051 ? 75  GLU   C CG   1 ? 
ATOM   4786 C CD   . GLU   C 1 63  ? 28.463 36.205  -18.741 1   25.699 ? 75  GLU   C CD   1 ? 
ATOM   4787 O OE1  . GLU   C 1 63  ? 29.154 37.052  -18.131 1   28.119 ? 75  GLU   C OE1  1 ? 
ATOM   4788 O OE2  . GLU   C 1 63  ? 28.878 35.426  -19.614 1   28.642 ? 75  GLU   C OE2  1 ? 
ATOM   4789 H H    . GLU   C 1 63  ? 24.298 36.895  -20.9   1   19.763 ? 75  GLU   C H    1 c 
ATOM   4790 H HA   . GLU   C 1 63  ? 26.873 35.866  -21.145 1   18.808 ? 75  GLU   C HA   1 c 
ATOM   4791 H HB2  . GLU   C 1 63  ? 25.252 35.185  -18.871 1   21.186 ? 75  GLU   C HB2  1 c 
ATOM   4792 H HB3  . GLU   C 1 63  ? 26.533 34.355  -19.285 1   21.217 ? 75  GLU   C HB3  1 c 
ATOM   4793 H HG2  . GLU   C 1 63  ? 26.65  37.067  -18.445 1   24.524 ? 75  GLU   C HG2  1 c 
ATOM   4794 H HG3  . GLU   C 1 63  ? 26.92  35.859  -17.469 1   24.522 ? 75  GLU   C HG3  1 c 
ATOM   4795 N N    . PRO   C 1 64  ? 25.897 33.662  -22.061 1   16.021 ? 76  PRO   C N    1 ? 
ATOM   4796 C CA   . PRO   C 1 64  ? 25.205 32.516  -22.635 1   14.434 ? 76  PRO   C CA   1 ? 
ATOM   4797 C C    . PRO   C 1 64  ? 24.46  31.729  -21.574 1   12.81  ? 76  PRO   C C    1 ? 
ATOM   4798 O O    . PRO   C 1 64  ? 24.839 31.752  -20.409 1   11.507 ? 76  PRO   C O    1 ? 
ATOM   4799 C CB   . PRO   C 1 64  ? 26.318 31.712  -23.321 1   16.908 ? 76  PRO   C CB   1 ? 
ATOM   4800 C CG   . PRO   C 1 64  ? 27.575 32.166  -22.636 1   19.324 ? 76  PRO   C CG   1 ? 
ATOM   4801 C CD   . PRO   C 1 64  ? 27.355 33.584  -22.22  1   17.559 ? 76  PRO   C CD   1 ? 
ATOM   4802 H HA   . PRO   C 1 64  ? 24.57  32.831  -23.312 1   14.682 ? 76  PRO   C HA   1 c 
ATOM   4803 H HB2  . PRO   C 1 64  ? 26.182 30.752  -23.199 1   16.69  ? 76  PRO   C HB2  1 c 
ATOM   4804 H HB3  . PRO   C 1 64  ? 26.351 31.909  -24.277 1   16.62  ? 76  PRO   C HB3  1 c 
ATOM   4805 H HG2  . PRO   C 1 64  ? 27.76  31.609  -21.854 1   18.757 ? 76  PRO   C HG2  1 c 
ATOM   4806 H HG3  . PRO   C 1 64  ? 28.337 32.107  -23.247 1   18.527 ? 76  PRO   C HG3  1 c 
ATOM   4807 H HD2  . PRO   C 1 64  ? 27.808 33.779  -21.378 1   17.508 ? 76  PRO   C HD2  1 c 
ATOM   4808 H HD3  . PRO   C 1 64  ? 27.663 34.208  -22.905 1   17.495 ? 76  PRO   C HD3  1 c 
ATOM   4809 N N    . PHE   C 1 65  ? 23.373 31.094  -22.007 1   13.022 ? 77  PHE   C N    1 ? 
ATOM   4810 C CA   . PHE   C 1 65  ? 22.712 30.063  -21.238 1   12.859 ? 77  PHE   C CA   1 ? 
ATOM   4811 C C    . PHE   C 1 65  ? 23.351 28.715  -21.564 1   12.337 ? 77  PHE   C C    1 ? 
ATOM   4812 O O    . PHE   C 1 65  ? 23.556 28.383  -22.765 1   11.873 ? 77  PHE   C O    1 ? 
ATOM   4813 C CB   . PHE   C 1 65  ? 21.222 30.097  -21.566 1   11.797 ? 77  PHE   C CB   1 ? 
ATOM   4814 C CG   . PHE   C 1 65  ? 20.415 29.047  -20.832 1   11.925 ? 77  PHE   C CG   1 ? 
ATOM   4815 C CD1  . PHE   C 1 65  ? 19.976 29.293  -19.539 1   12.738 ? 77  PHE   C CD1  1 ? 
ATOM   4816 C CD2  . PHE   C 1 65  ? 20.086 27.835  -21.425 1   12.139 ? 77  PHE   C CD2  1 ? 
ATOM   4817 C CE1  . PHE   C 1 65  ? 19.273 28.337  -18.848 1   13.791 ? 77  PHE   C CE1  1 ? 
ATOM   4818 C CE2  . PHE   C 1 65  ? 19.341 26.881  -20.733 1   12.472 ? 77  PHE   C CE2  1 ? 
ATOM   4819 C CZ   . PHE   C 1 65  ? 18.946 27.13   -19.432 1   12.95  ? 77  PHE   C CZ   1 ? 
ATOM   4820 H H    . PHE   C 1 65  ? 23.028 31.315  -22.824 1   12.946 ? 77  PHE   C H    1 c 
ATOM   4821 H HA   . PHE   C 1 65  ? 22.832 30.256  -20.27  1   12.544 ? 77  PHE   C HA   1 c 
ATOM   4822 H HB2  . PHE   C 1 65  ? 20.871 30.986  -21.338 1   11.952 ? 77  PHE   C HB2  1 c 
ATOM   4823 H HB3  . PHE   C 1 65  ? 21.111 29.965  -22.534 1   11.995 ? 77  PHE   C HB3  1 c 
ATOM   4824 H HD1  . PHE   C 1 65  ? 20.2   30.108  -19.117 1   12.702 ? 77  PHE   C HD1  1 c 
ATOM   4825 H HD2  . PHE   C 1 65  ? 20.367 27.658  -22.309 1   12.143 ? 77  PHE   C HD2  1 c 
ATOM   4826 H HE1  . PHE   C 1 65  ? 18.989 28.518  -17.966 1   13.191 ? 77  PHE   C HE1  1 c 
ATOM   4827 H HE2  . PHE   C 1 65  ? 19.129 26.058  -21.143 1   12.406 ? 77  PHE   C HE2  1 c 
ATOM   4828 H HZ   . PHE   C 1 65  ? 18.44  26.491  -18.955 1   12.916 ? 77  PHE   C HZ   1 c 
ATOM   4829 N N    . VAL   C 1 66  ? 23.734 27.994  -20.494 1   11.882 ? 78  VAL   C N    1 ? 
ATOM   4830 C CA   . VAL   C 1 66  ? 24.541 26.79   -20.649 1   11.408 ? 78  VAL   C CA   1 ? 
ATOM   4831 C C    . VAL   C 1 66  ? 23.834 25.65   -19.952 1   11.948 ? 78  VAL   C C    1 ? 
ATOM   4832 O O    . VAL   C 1 66  ? 23.359 25.807  -18.797 1   12.525 ? 78  VAL   C O    1 ? 
ATOM   4833 C CB   . VAL   C 1 66  ? 25.958 27.001  -20.077 1   12.351 ? 78  VAL   C CB   1 ? 
ATOM   4834 C CG1  . VAL   C 1 66  ? 26.803 25.771  -20.247 1   12.345 ? 78  VAL   C CG1  1 ? 
ATOM   4835 C CG2  . VAL   C 1 66  ? 26.59  28.225  -20.671 1   12.516 ? 78  VAL   C CG2  1 ? 
ATOM   4836 H H    . VAL   C 1 66  ? 23.484 28.256  -19.655 1   11.828 ? 78  VAL   C H    1 c 
ATOM   4837 H HA   . VAL   C 1 66  ? 24.615 26.583  -21.597 1   11.736 ? 78  VAL   C HA   1 c 
ATOM   4838 H HB   . VAL   C 1 66  ? 25.855 27.159  -19.111 1   12.266 ? 78  VAL   C HB   1 c 
ATOM   4839 H HG11 . VAL   C 1 66  ? 26.859 25.544  -21.191 1   12.426 ? 78  VAL   C HG11 1 c 
ATOM   4840 H HG12 . VAL   C 1 66  ? 26.406 25.03   -19.759 1   12.425 ? 78  VAL   C HG12 1 c 
ATOM   4841 H HG13 . VAL   C 1 66  ? 27.696 25.942  -19.903 1   12.327 ? 78  VAL   C HG13 1 c 
ATOM   4842 H HG21 . VAL   C 1 66  ? 27.489 28.33   -20.319 1   12.513 ? 78  VAL   C HG21 1 c 
ATOM   4843 H HG22 . VAL   C 1 66  ? 26.062 29.009  -20.443 1   12.522 ? 78  VAL   C HG22 1 c 
ATOM   4844 H HG23 . VAL   C 1 66  ? 26.63  28.133  -21.638 1   12.527 ? 78  VAL   C HG23 1 c 
ATOM   4845 N N    . PHE   C 1 67  ? 23.705 24.529  -20.654 1   12.808 ? 79  PHE   C N    1 ? 
ATOM   4846 C CA   . PHE   C 1 67  ? 23.038 23.375  -20.099 1   12.397 ? 79  PHE   C CA   1 ? 
ATOM   4847 C C    . PHE   C 1 67  ? 23.538 22.124  -20.784 1   13.022 ? 79  PHE   C C    1 ? 
ATOM   4848 O O    . PHE   C 1 67  ? 24.188 22.189  -21.831 1   13.96  ? 79  PHE   C O    1 ? 
ATOM   4849 C CB   . PHE   C 1 67  ? 21.512 23.48   -20.224 1   13.346 ? 79  PHE   C CB   1 ? 
ATOM   4850 C CG   . PHE   C 1 67  ? 20.978 23.275  -21.636 1   13.135 ? 79  PHE   C CG   1 ? 
ATOM   4851 C CD1  . PHE   C 1 67  ? 21.067 24.256  -22.614 1   15.651 ? 79  PHE   C CD1  1 ? 
ATOM   4852 C CD2  . PHE   C 1 67  ? 20.356 22.088  -21.97  1   13.86  ? 79  PHE   C CD2  1 ? 
ATOM   4853 C CE1  . PHE   C 1 67  ? 20.522 24.05   -23.897 1   15.297 ? 79  PHE   C CE1  1 ? 
ATOM   4854 C CE2  . PHE   C 1 67  ? 19.84  21.884  -23.24  1   15.48  ? 79  PHE   C CE2  1 ? 
ATOM   4855 C CZ   . PHE   C 1 67  ? 19.959 22.848  -24.214 1   15.739 ? 79  PHE   C CZ   1 ? 
ATOM   4856 H H    . PHE   C 1 67  ? 24.042 24.482  -21.502 1   12.623 ? 79  PHE   C H    1 c 
ATOM   4857 H HA   . PHE   C 1 67  ? 23.268 23.315  -19.134 1   12.711 ? 79  PHE   C HA   1 c 
ATOM   4858 H HB2  . PHE   C 1 67  ? 21.105 22.811  -19.63  1   13.232 ? 79  PHE   C HB2  1 c 
ATOM   4859 H HB3  . PHE   C 1 67  ? 21.235 24.368  -19.906 1   13.07  ? 79  PHE   C HB3  1 c 
ATOM   4860 H HD1  . PHE   C 1 67  ? 21.477 25.081  -22.408 1   15.161 ? 79  PHE   C HD1  1 c 
ATOM   4861 H HD2  . PHE   C 1 67  ? 20.282 21.406  -21.322 1   14.125 ? 79  PHE   C HD2  1 c 
ATOM   4862 H HE1  . PHE   C 1 67  ? 20.602 24.722  -24.556 1   15.318 ? 79  PHE   C HE1  1 c 
ATOM   4863 H HE2  . PHE   C 1 67  ? 19.43  21.059  -23.449 1   15.238 ? 79  PHE   C HE2  1 c 
ATOM   4864 H HZ   . PHE   C 1 67  ? 19.602 22.702  -25.075 1   15.547 ? 79  PHE   C HZ   1 c 
ATOM   4865 N N    . SER   C 1 68  ? 23.315 20.981  -20.147 1   13.816 ? 80  SER   C N    1 ? 
ATOM   4866 C CA   . SER   C 1 68  ? 23.666 19.683  -20.689 1   12.999 ? 80  SER   C CA   1 ? 
ATOM   4867 C C    . SER   C 1 68  ? 22.462 19.083  -21.405 1   12.705 ? 80  SER   C C    1 ? 
ATOM   4868 O O    . SER   C 1 68  ? 21.358 18.975  -20.837 1   12.908 ? 80  SER   C O    1 ? 
ATOM   4869 C CB   . SER   C 1 68  ? 24.172 18.745  -19.624 1   15.412 ? 80  SER   C CB   1 ? 
ATOM   4870 O OG   . SER   C 1 68  ? 25.407 19.206  -19.098 1   19.695 ? 80  SER   C OG   1 ? 
ATOM   4871 H H    . SER   C 1 68  ? 22.921 21.012  -19.323 1   13.625 ? 80  SER   C H    1 c 
ATOM   4872 H HA   . SER   C 1 68  ? 24.388 19.813  -21.352 1   13.115 ? 80  SER   C HA   1 c 
ATOM   4873 H HB2  . SER   C 1 68  ? 23.514 18.682  -18.908 1   15.532 ? 80  SER   C HB2  1 c 
ATOM   4874 H HB3  . SER   C 1 68  ? 24.294 17.855  -20.007 1   15.44  ? 80  SER   C HB3  1 c 
ATOM   4875 H HG   . SER   C 1 68  ? 25.668 18.659  -18.51  0   19.8   ? 80  SER   C HG   1 c 
ATOM   4876 N N    . LEU   C 1 69  ? 22.652 18.749  -22.679 1   13.226 ? 81  LEU   C N    1 ? 
ATOM   4877 C CA   . LEU   C 1 69  ? 21.563 18.266  -23.517 1   15.151 ? 81  LEU   C CA   1 ? 
ATOM   4878 C C    . LEU   C 1 69  ? 21.053 16.907  -23.064 1   16.478 ? 81  LEU   C C    1 ? 
ATOM   4879 O O    . LEU   C 1 69  ? 21.818 15.988  -22.819 1   17.297 ? 81  LEU   C O    1 ? 
ATOM   4880 C CB   . LEU   C 1 69  ? 22.069 18.174  -24.955 1   16.641 ? 81  LEU   C CB   1 ? 
ATOM   4881 C CG   . LEU   C 1 69  ? 20.99  17.956  -26.009 1   19.166 ? 81  LEU   C CG   1 ? 
ATOM   4882 C CD1  . LEU   C 1 69  ? 20.015 19.123  -26.095 1   17.797 ? 81  LEU   C CD1  1 ? 
ATOM   4883 C CD2  . LEU   C 1 69  ? 21.682 17.684  -27.306 1   20.05  ? 81  LEU   C CD2  1 ? 
ATOM   4884 H H    . LEU   C 1 69  ? 23.488 18.818  -23.041 1   13.373 ? 81  LEU   C H    1 c 
ATOM   4885 H HA   . LEU   C 1 69  ? 20.823 18.921  -23.469 1   15.18  ? 81  LEU   C HA   1 c 
ATOM   4886 H HB2  . LEU   C 1 69  ? 22.548 19.009  -25.168 1   16.752 ? 81  LEU   C HB2  1 c 
ATOM   4887 H HB3  . LEU   C 1 69  ? 22.714 17.432  -25.009 1   16.771 ? 81  LEU   C HB3  1 c 
ATOM   4888 H HG   . LEU   C 1 69  ? 20.475 17.145  -25.763 1   18.675 ? 81  LEU   C HG   1 c 
ATOM   4889 H HD11 . LEU   C 1 69  ? 19.553 19.225  -25.247 1   17.994 ? 81  LEU   C HD11 1 c 
ATOM   4890 H HD12 . LEU   C 1 69  ? 19.366 18.951  -26.798 1   17.989 ? 81  LEU   C HD12 1 c 
ATOM   4891 H HD13 . LEU   C 1 69  ? 20.502 19.939  -26.299 1   17.957 ? 81  LEU   C HD13 1 c 
ATOM   4892 H HD21 . LEU   C 1 69  ? 22.236 16.89   -27.219 1   19.769 ? 81  LEU   C HD21 1 c 
ATOM   4893 H HD22 . LEU   C 1 69  ? 22.241 18.444  -27.541 1   19.867 ? 81  LEU   C HD22 1 c 
ATOM   4894 H HD23 . LEU   C 1 69  ? 21.021 17.541  -28.004 1   19.881 ? 81  LEU   C HD23 1 c 
ATOM   4895 N N    . GLY   C 1 70  ? 19.721 16.785  -23.059 1   18.856 ? 82  GLY   C N    1 ? 
ATOM   4896 C CA   . GLY   C 1 70  ? 19.03  15.524  -22.847 1   22.087 ? 82  GLY   C CA   1 ? 
ATOM   4897 C C    . GLY   C 1 70  ? 19.12  15.028  -21.408 1   24.871 ? 82  GLY   C C    1 ? 
ATOM   4898 O O    . GLY   C 1 70  ? 19.096 13.814  -21.189 1   34.67  ? 82  GLY   C O    1 ? 
ATOM   4899 H H    . GLY   C 1 70  ? 19.216 17.534  -23.195 1   18.472 ? 82  GLY   C H    1 c 
ATOM   4900 H HA2  . GLY   C 1 70  ? 18.083 15.634  -23.094 1   21.858 ? 82  GLY   C HA2  1 c 
ATOM   4901 H HA3  . GLY   C 1 70  ? 19.419 14.846  -23.448 1   21.891 ? 82  GLY   C HA3  1 c 
ATOM   4902 N N    . LYS   C 1 71  ? 19.226 15.963  -20.442 1   23.858 ? 83  LYS   C N    1 ? 
ATOM   4903 C CA   . LYS   C 1 71  ? 19.264 15.596  -19.03  1   25.235 ? 83  LYS   C CA   1 ? 
ATOM   4904 C C    . LYS   C 1 71  ? 18.07  16.161  -18.253 1   25.451 ? 83  LYS   C C    1 ? 
ATOM   4905 O O    . LYS   C 1 71  ? 18.061 16.104  -17.031 1   25.28  ? 83  LYS   C O    1 ? 
ATOM   4906 C CB   . LYS   C 1 71  ? 20.563 16.079  -18.382 1   28.673 ? 83  LYS   C CB   1 ? 
ATOM   4907 C CG   . LYS   C 1 71  ? 21.779 15.359  -18.892 1   32.452 ? 83  LYS   C CG   1 ? 
ATOM   4908 C CD   . LYS   C 1 71  ? 22.988 15.541  -17.988 1   41.323 ? 83  LYS   C CD   1 ? 
ATOM   4909 C CE   . LYS   C 1 71  ? 24.009 14.508  -18.266 1   49.691 ? 83  LYS   C CE   1 ? 
ATOM   4910 N NZ   . LYS   C 1 71  ? 25.25  14.824  -17.55  1   60.018 ? 83  LYS   C NZ   1 ? 
ATOM   4911 H H    . LYS   C 1 71  ? 19.275 16.847  -20.67  1   24.193 ? 83  LYS   C H    1 c 
ATOM   4912 H HA   . LYS   C 1 71  ? 19.235 14.608  -18.964 1   25.617 ? 83  LYS   C HA   1 c 
ATOM   4913 H HB2  . LYS   C 1 71  ? 20.67  17.038  -18.553 1   28.637 ? 83  LYS   C HB2  1 c 
ATOM   4914 H HB3  . LYS   C 1 71  ? 20.506 15.95   -17.411 1   28.55  ? 83  LYS   C HB3  1 c 
ATOM   4915 H HG2  . LYS   C 1 71  ? 21.572 14.402  -18.966 1   32.81  ? 83  LYS   C HG2  1 c 
ATOM   4916 H HG3  . LYS   C 1 71  ? 21.992 15.695  -19.789 1   32.519 ? 83  LYS   C HG3  1 c 
ATOM   4917 H HD2  . LYS   C 1 71  ? 23.377 16.431  -18.137 1   39.95  ? 83  LYS   C HD2  1 c 
ATOM   4918 H HD3  . LYS   C 1 71  ? 22.71  15.477  -17.048 1   40.446 ? 83  LYS   C HD3  1 c 
ATOM   4919 H HE2  . LYS   C 1 71  ? 23.684 13.635  -17.981 1   49.204 ? 83  LYS   C HE2  1 c 
ATOM   4920 H HE3  . LYS   C 1 71  ? 24.191 14.475  -19.222 1   49.055 ? 83  LYS   C HE3  1 c 
ATOM   4921 H HZ1  . LYS   C 1 71  ? 25.089 14.86   -16.659 1   57.63  ? 83  LYS   C HZ1  1 c 
ATOM   4922 H HZ2  . LYS   C 1 71  ? 25.569 15.625  -17.827 1   57.497 ? 83  LYS   C HZ2  1 c 
ATOM   4923 H HZ3  . LYS   C 1 71  ? 25.869 14.184  -17.715 1   57.664 ? 83  LYS   C HZ3  1 c 
ATOM   4924 N N    . GLY   C 1 72  ? 17.064 16.715  -18.947 1   26.238 ? 84  GLY   C N    1 ? 
ATOM   4925 C CA   . GLY   C 1 72  ? 15.902 17.336  -18.301 1   26.108 ? 84  GLY   C CA   1 ? 
ATOM   4926 C C    . GLY   C 1 72  ? 16.27  18.556  -17.449 1   22.812 ? 84  GLY   C C    1 ? 
ATOM   4927 O O    . GLY   C 1 72  ? 15.619 18.865  -16.462 1   24.716 ? 84  GLY   C O    1 ? 
ATOM   4928 H H    . GLY   C 1 72  ? 17.096 16.704  -19.86  1   26.372 ? 84  GLY   C H    1 c 
ATOM   4929 H HA2  . GLY   C 1 72  ? 15.259 17.608  -18.997 1   25.605 ? 84  GLY   C HA2  1 c 
ATOM   4930 H HA3  . GLY   C 1 72  ? 15.459 16.664  -17.731 1   25.543 ? 84  GLY   C HA3  1 c 
ATOM   4931 N N    . GLN   C 1 73  ? 17.34  19.251  -17.812 1   19.999 ? 85  GLN   C N    1 ? 
ATOM   4932 C CA   . GLN   C 1 73  ? 17.646 20.543  -17.202 1   17.548 ? 85  GLN   C CA   1 ? 
ATOM   4933 C C    . GLN   C 1 73  ? 16.741 21.622  -17.783 1   17.099 ? 85  GLN   C C    1 ? 
ATOM   4934 O O    . GLN   C 1 73  ? 16.607 22.711  -17.222 1   15.65  ? 85  GLN   C O    1 ? 
ATOM   4935 C CB   . GLN   C 1 73  ? 19.116 20.886  -17.443 1   17.28  ? 85  GLN   C CB   1 ? 
ATOM   4936 C CG   . GLN   C 1 73  ? 20.043 19.955  -16.671 1   17.086 ? 85  GLN   C CG   1 ? 
ATOM   4937 C CD   . GLN   C 1 73  ? 21.496 20.145  -17.045 1   15.928 ? 85  GLN   C CD   1 ? 
ATOM   4938 O OE1  . GLN   C 1 73  ? 21.843 21.148  -17.662 1   16.484 ? 85  GLN   C OE1  1 ? 
ATOM   4939 N NE2  . GLN   C 1 73  ? 22.349 19.218  -16.62  1   18.034 ? 85  GLN   C NE2  1 ? 
ATOM   4940 H H    . GLN   C 1 73  ? 17.896 18.925  -18.46  1   19.952 ? 85  GLN   C H    1 c 
ATOM   4941 H HA   . GLN   C 1 73  ? 17.486 20.479  -16.226 1   17.848 ? 85  GLN   C HA   1 c 
ATOM   4942 H HB2  . GLN   C 1 73  ? 19.31  20.817  -18.401 1   17.179 ? 85  GLN   C HB2  1 c 
ATOM   4943 H HB3  . GLN   C 1 73  ? 19.281 21.811  -17.165 1   17.375 ? 85  GLN   C HB3  1 c 
ATOM   4944 H HG2  . GLN   C 1 73  ? 19.938 20.117  -15.71  1   17.121 ? 85  GLN   C HG2  1 c 
ATOM   4945 H HG3  . GLN   C 1 73  ? 19.79  19.024  -16.848 1   16.84  ? 85  GLN   C HG3  1 c 
ATOM   4946 H HE21 . GLN   C 1 73  ? 23.221 19.332  -16.736 1   17.537 ? 85  GLN   C HE21 1 c 
ATOM   4947 H HE22 . GLN   C 1 73  ? 22.047 18.488  -16.217 1   17.601 ? 85  GLN   C HE22 1 c 
ATOM   4948 N N    . VAL   C 1 74  ? 16.199 21.332  -18.982 1   14.723 ? 86  VAL   C N    1 ? 
ATOM   4949 C CA   . VAL   C 1 74  ? 15.279 22.238  -19.654 1   12.714 ? 86  VAL   C CA   1 ? 
ATOM   4950 C C    . VAL   C 1 74  ? 14.033 21.454  -20.053 1   12.559 ? 86  VAL   C C    1 ? 
ATOM   4951 O O    . VAL   C 1 74  ? 14.024 20.229  -20.001 1   14.866 ? 86  VAL   C O    1 ? 
ATOM   4952 C CB   . VAL   C 1 74  ? 16     22.836  -20.883 1   12.597 ? 86  VAL   C CB   1 ? 
ATOM   4953 C CG1  . VAL   C 1 74  ? 17.13  23.78   -20.466 1   13.503 ? 86  VAL   C CG1  1 ? 
ATOM   4954 C CG2  . VAL   C 1 74  ? 16.504 21.751  -21.826 1   12.982 ? 86  VAL   C CG2  1 ? 
ATOM   4955 H H    . VAL   C 1 74  ? 16.412 20.543  -19.39  1   14.555 ? 86  VAL   C H    1 c 
ATOM   4956 H HA   . VAL   C 1 74  ? 15.027 22.957  -19.043 1   13.068 ? 86  VAL   C HA   1 c 
ATOM   4957 H HB   . VAL   C 1 74  ? 15.334 23.371  -21.376 1   12.83  ? 86  VAL   C HB   1 c 
ATOM   4958 H HG11 . VAL   C 1 74  ? 17.786 23.291  -19.943 1   13.336 ? 86  VAL   C HG11 1 c 
ATOM   4959 H HG12 . VAL   C 1 74  ? 16.766 24.506  -19.932 1   13.329 ? 86  VAL   C HG12 1 c 
ATOM   4960 H HG13 . VAL   C 1 74  ? 17.556 24.146  -21.26  1   13.464 ? 86  VAL   C HG13 1 c 
ATOM   4961 H HG21 . VAL   C 1 74  ? 16.935 22.165  -22.593 1   12.848 ? 86  VAL   C HG21 1 c 
ATOM   4962 H HG22 . VAL   C 1 74  ? 15.757 21.209  -22.131 1   12.874 ? 86  VAL   C HG22 1 c 
ATOM   4963 H HG23 . VAL   C 1 74  ? 17.146 21.188  -21.364 1   12.963 ? 86  VAL   C HG23 1 c 
ATOM   4964 N N    . ILE   C 1 75  ? 13.035 22.174  -20.571 1   12.913 ? 87  ILE   C N    1 ? 
ATOM   4965 C CA   . ILE   C 1 75  ? 11.831 21.557  -21.091 1   14.012 ? 87  ILE   C CA   1 ? 
ATOM   4966 C C    . ILE   C 1 75  ? 12.134 20.605  -22.243 1   13.848 ? 87  ILE   C C    1 ? 
ATOM   4967 O O    . ILE   C 1 75  ? 13.151 20.763  -22.956 1   14.821 ? 87  ILE   C O    1 ? 
ATOM   4968 C CB   . ILE   C 1 75  ? 10.798 22.615  -21.504 1   16.244 ? 87  ILE   C CB   1 ? 
ATOM   4969 C CG1  . ILE   C 1 75  ? 11.373 23.599  -22.509 1   16.661 ? 87  ILE   C CG1  1 ? 
ATOM   4970 C CG2  . ILE   C 1 75  ? 10.191 23.308  -20.273 1   16.907 ? 87  ILE   C CG2  1 ? 
ATOM   4971 C CD1  . ILE   C 1 75  ? 10.331 24.534  -23.078 1   16.784 ? 87  ILE   C CD1  1 ? 
ATOM   4972 H H    . ILE   C 1 75  ? 13.108 23.085  -20.587 1   13.027 ? 87  ILE   C H    1 c 
ATOM   4973 H HA   . ILE   C 1 75  ? 11.438 21.031  -20.368 1   14.114 ? 87  ILE   C HA   1 c 
ATOM   4974 H HB   . ILE   C 1 75  ? 10.071 22.141  -21.955 1   15.999 ? 87  ILE   C HB   1 c 
ATOM   4975 H HG12 . ILE   C 1 75  ? 12.069 24.131  -22.073 1   16.539 ? 87  ILE   C HG12 1 c 
ATOM   4976 H HG13 . ILE   C 1 75  ? 11.787 23.101  -23.243 1   16.557 ? 87  ILE   C HG13 1 c 
ATOM   4977 H HG21 . ILE   C 1 75  ? 9.517  23.948  -20.554 1   16.797 ? 87  ILE   C HG21 1 c 
ATOM   4978 H HG22 . ILE   C 1 75  ? 10.89  23.771  -19.782 1   16.797 ? 87  ILE   C HG22 1 c 
ATOM   4979 H HG23 . ILE   C 1 75  ? 9.78   22.642  -19.696 1   16.692 ? 87  ILE   C HG23 1 c 
ATOM   4980 H HD11 . ILE   C 1 75  ? 9.625  24.014  -23.507 1   16.793 ? 87  ILE   C HD11 1 c 
ATOM   4981 H HD12 . ILE   C 1 75  ? 10.748 25.118  -23.74  1   16.674 ? 87  ILE   C HD12 1 c 
ATOM   4982 H HD13 . ILE   C 1 75  ? 9.945  25.079  -22.367 1   16.739 ? 87  ILE   C HD13 1 c 
ATOM   4983 N N    . LYS   C 1 76  ? 11.253 19.613  -22.418 1   15.883 ? 88  LYS   C N    1 ? 
ATOM   4984 C CA   . LYS   C 1 76  ? 11.4   18.555  -23.411 1   15.882 ? 88  LYS   C CA   1 ? 
ATOM   4985 C C    . LYS   C 1 76  ? 11.67  19.189  -24.777 1   15.568 ? 88  LYS   C C    1 ? 
ATOM   4986 O O    . LYS   C 1 76  ? 12.529 18.731  -25.502 1   17.582 ? 88  LYS   C O    1 ? 
ATOM   4987 C CB   . LYS   C 1 76  ? 10.185 17.599  -23.354 1   18.99  ? 88  LYS   C CB   1 ? 
ATOM   4988 H H    . LYS   C 1 76  ? 10.511 19.599  -21.884 1   15.521 ? 88  LYS   C H    1 c 
ATOM   4989 H HA   . LYS   C 1 76  ? 12.201 18.025  -23.164 1   16.232 ? 88  LYS   C HA   1 c 
ATOM   4990 H HB2  . LYS   C 1 76  ? 10.501 16.685  -23.299 0   18.82  ? 88  LYS   C HB2  1 c 
ATOM   4991 H HB3  . LYS   C 1 76  ? 9.361  18.15   -23.389 0   18.82  ? 88  LYS   C HB3  1 c 
ATOM   4992 N N    . ALA   C 1 77  ? 10.926 20.233  -25.143 1   15.638 ? 89  ALA   C N    1 ? 
ATOM   4993 C CA   . ALA   C 1 77  ? 11.083 20.862  -26.445 1   14.038 ? 89  ALA   C CA   1 ? 
ATOM   4994 C C    . ALA   C 1 77  ? 12.515 21.337  -26.729 1   14.561 ? 89  ALA   C C    1 ? 
ATOM   4995 O O    . ALA   C 1 77  ? 12.953 21.358  -27.872 1   15.133 ? 89  ALA   C O    1 ? 
ATOM   4996 C CB   . ALA   C 1 77  ? 10.121 22.021  -26.558 1   13.626 ? 89  ALA   C CB   1 ? 
ATOM   4997 H H    . ALA   C 1 77  ? 10.297 20.562  -24.567 1   15.49  ? 89  ALA   C H    1 c 
ATOM   4998 H HA   . ALA   C 1 77  ? 10.846 20.185  -27.138 1   14.353 ? 89  ALA   C HA   1 c 
ATOM   4999 H HB1  . ALA   C 1 77  ? 9.208  21.7    -26.472 1   13.689 ? 89  ALA   C HB1  1 c 
ATOM   5000 H HB2  . ALA   C 1 77  ? 10.302 22.667  -25.854 1   13.778 ? 89  ALA   C HB2  1 c 
ATOM   5001 H HB3  . ALA   C 1 77  ? 10.229 22.452  -27.423 1   13.814 ? 89  ALA   C HB3  1 c 
ATOM   5002 N N    . TRP   C 1 78  ? 13.204 21.807  -25.698 1   13.699 ? 90  TRP   C N    1 ? 
ATOM   5003 C CA   . TRP   C 1 78  ? 14.595 22.229  -25.889 1   13.183 ? 90  TRP   C CA   1 ? 
ATOM   5004 C C    . TRP   C 1 78  ? 15.517 21.019  -26.056 1   13.015 ? 90  TRP   C C    1 ? 
ATOM   5005 O O    . TRP   C 1 78  ? 16.426 21.093  -26.87  1   13.984 ? 90  TRP   C O    1 ? 
ATOM   5006 C CB   . TRP   C 1 78  ? 15.1   23.111  -24.753 1   12.842 ? 90  TRP   C CB   1 ? 
ATOM   5007 C CG   . TRP   C 1 78  ? 14.855 24.567  -24.961 1   12.193 ? 90  TRP   C CG   1 ? 
ATOM   5008 C CD1  . TRP   C 1 78  ? 13.701 25.223  -25.298 1   12.405 ? 90  TRP   C CD1  1 ? 
ATOM   5009 C CD2  . TRP   C 1 78  ? 15.865 25.584  -24.779 1   11.507 ? 90  TRP   C CD2  1 ? 
ATOM   5010 N NE1  . TRP   C 1 78  ? 13.922 26.563  -25.401 1   12.793 ? 90  TRP   C NE1  1 ? 
ATOM   5011 C CE2  . TRP   C 1 78  ? 15.241 26.826  -25.074 1   11.498 ? 90  TRP   C CE2  1 ? 
ATOM   5012 C CE3  . TRP   C 1 78  ? 17.205 25.547  -24.403 1   11.861 ? 90  TRP   C CE3  1 ? 
ATOM   5013 C CZ2  . TRP   C 1 78  ? 15.928 28.034  -24.967 1   12.449 ? 90  TRP   C CZ2  1 ? 
ATOM   5014 C CZ3  . TRP   C 1 78  ? 17.894 26.739  -24.36  1   12.475 ? 90  TRP   C CZ3  1 ? 
ATOM   5015 C CH2  . TRP   C 1 78  ? 17.256 27.964  -24.606 1   12.5   ? 90  TRP   C CH2  1 ? 
ATOM   5016 H H    . TRP   C 1 78  ? 12.82  21.874  -24.872 1   13.788 ? 90  TRP   C H    1 c 
ATOM   5017 H HA   . TRP   C 1 78  ? 14.638 22.765  -26.727 1   13.228 ? 90  TRP   C HA   1 c 
ATOM   5018 H HB2  . TRP   C 1 78  ? 14.661 22.831  -23.921 1   12.745 ? 90  TRP   C HB2  1 c 
ATOM   5019 H HB3  . TRP   C 1 78  ? 16.064 22.964  -24.647 1   12.83  ? 90  TRP   C HB3  1 c 
ATOM   5020 H HD1  . TRP   C 1 78  ? 12.879 24.804  -25.497 1   12.348 ? 90  TRP   C HD1  1 c 
ATOM   5021 H HE1  . TRP   C 1 78  ? 13.324 27.157  -25.608 1   12.373 ? 90  TRP   C HE1  1 c 
ATOM   5022 H HE3  . TRP   C 1 78  ? 17.635 24.728  -24.224 1   11.857 ? 90  TRP   C HE3  1 c 
ATOM   5023 H HZ2  . TRP   C 1 78  ? 15.511 28.856  -25.163 1   12.29  ? 90  TRP   C HZ2  1 c 
ATOM   5024 H HZ3  . TRP   C 1 78  ? 18.8   26.737  -24.099 1   12.317 ? 90  TRP   C HZ3  1 c 
ATOM   5025 H HH2  . TRP   C 1 78  ? 17.755 28.759  -24.547 1   12.48  ? 90  TRP   C HH2  1 c 
ATOM   5026 N N    . ASP   C 1 79  ? 15.344 19.951  -25.265 1   13.546 ? 91  ASP   C N    1 ? 
ATOM   5027 C CA   . ASP   C 1 79  ? 16.131 18.743  -25.476 1   14.599 ? 91  ASP   C CA   1 ? 
ATOM   5028 C C    . ASP   C 1 79  ? 15.94  18.224  -26.906 1   15.62  ? 91  ASP   C C    1 ? 
ATOM   5029 O O    . ASP   C 1 79  ? 16.907 17.802  -27.549 1   18.331 ? 91  ASP   C O    1 ? 
ATOM   5030 C CB   . ASP   C 1 79  ? 15.887 17.689  -24.397 1   17.476 ? 91  ASP   C CB   1 ? 
ATOM   5031 C CG   . ASP   C 1 79  ? 16.599 17.938  -23.076 1   19.335 ? 91  ASP   C CG   1 ? 
ATOM   5032 O OD1  . ASP   C 1 79  ? 17.609 18.695  -23.043 1   18.619 ? 91  ASP   C OD1  1 ? 
ATOM   5033 O OD2  . ASP   C 1 79  ? 16.192 17.32   -22.076 1   21.007 ? 91  ASP   C OD2  1 ? 
ATOM   5034 H H    . ASP   C 1 79  ? 14.732 19.976  -24.587 1   13.768 ? 91  ASP   C H    1 c 
ATOM   5035 H HA   . ASP   C 1 79  ? 17.078 18.996  -25.388 1   14.804 ? 91  ASP   C HA   1 c 
ATOM   5036 H HB2  . ASP   C 1 79  ? 14.924 17.638  -24.22  1   17.19  ? 91  ASP   C HB2  1 c 
ATOM   5037 H HB3  . ASP   C 1 79  ? 16.176 16.816  -24.738 1   17.098 ? 91  ASP   C HB3  1 c 
ATOM   5038 N N    . ILE   C 1 80  ? 14.704 18.281  -27.422 1   16.069 ? 92  ILE   C N    1 ? 
ATOM   5039 C CA   . ILE   C 1 80  ? 14.412 17.859  -28.794 1   16.43  ? 92  ILE   C CA   1 ? 
ATOM   5040 C C    . ILE   C 1 80  ? 15.005 18.858  -29.791 1   16.373 ? 92  ILE   C C    1 ? 
ATOM   5041 O O    . ILE   C 1 80  ? 15.655 18.491  -30.744 1   18.754 ? 92  ILE   C O    1 ? 
ATOM   5042 C CB   . ILE   C 1 80  ? 12.879 17.738  -28.982 1   19.372 ? 92  ILE   C CB   1 ? 
ATOM   5043 C CG1  . ILE   C 1 80  ? 12.341 16.6    -28.149 1   20.663 ? 92  ILE   C CG1  1 ? 
ATOM   5044 C CG2  . ILE   C 1 80  ? 12.519 17.613  -30.453 1   22.115 ? 92  ILE   C CG2  1 ? 
ATOM   5045 C CD1  . ILE   C 1 80  ? 10.837 16.633  -27.905 1   21.025 ? 92  ILE   C CD1  1 ? 
ATOM   5046 H H    . ILE   C 1 80  ? 14.018 18.59   -26.903 1   16.324 ? 92  ILE   C H    1 c 
ATOM   5047 H HA   . ILE   C 1 80  ? 14.817 16.983  -28.945 1   16.698 ? 92  ILE   C HA   1 c 
ATOM   5048 H HB   . ILE   C 1 80  ? 12.475 18.564  -28.647 1   19.414 ? 92  ILE   C HB   1 c 
ATOM   5049 H HG12 . ILE   C 1 80  ? 12.565 15.757  -28.594 1   20.478 ? 92  ILE   C HG12 1 c 
ATOM   5050 H HG13 . ILE   C 1 80  ? 12.795 16.605  -27.282 1   20.521 ? 92  ILE   C HG13 1 c 
ATOM   5051 H HG21 . ILE   C 1 80  ? 11.559 17.496  -30.544 1   21.541 ? 92  ILE   C HG21 1 c 
ATOM   5052 H HG22 . ILE   C 1 80  ? 12.974 16.843  -30.835 1   21.507 ? 92  ILE   C HG22 1 c 
ATOM   5053 H HG23 . ILE   C 1 80  ? 12.79  18.416  -30.928 1   21.609 ? 92  ILE   C HG23 1 c 
ATOM   5054 H HD11 . ILE   C 1 80  ? 10.599 17.459  -27.443 1   20.964 ? 92  ILE   C HD11 1 c 
ATOM   5055 H HD12 . ILE   C 1 80  ? 10.579 15.869  -27.354 1   20.948 ? 92  ILE   C HD12 1 c 
ATOM   5056 H HD13 . ILE   C 1 80  ? 10.364 16.591  -28.757 1   20.919 ? 92  ILE   C HD13 1 c 
ATOM   5057 N N    . GLY   C 1 81  ? 14.699 20.14   -29.607 1   16.921 ? 93  GLY   C N    1 ? 
ATOM   5058 C CA   . GLY   C 1 81  ? 14.97  21.17   -30.596 1   15.118 ? 93  GLY   C CA   1 ? 
ATOM   5059 C C    . GLY   C 1 81  ? 16.436 21.556  -30.711 1   14.9   ? 93  GLY   C C    1 ? 
ATOM   5060 O O    . GLY   C 1 81  ? 16.998 21.651  -31.825 1   15.469 ? 93  GLY   C O    1 ? 
ATOM   5061 H H    . GLY   C 1 81  ? 14.299 20.389  -28.823 1   16.664 ? 93  GLY   C H    1 c 
ATOM   5062 H HA2  . GLY   C 1 81  ? 14.654 20.851  -31.474 1   15.391 ? 93  GLY   C HA2  1 c 
ATOM   5063 H HA3  . GLY   C 1 81  ? 14.445 21.971  -30.365 1   15.339 ? 93  GLY   C HA3  1 c 
ATOM   5064 N N    . VAL   C 1 82  ? 17.081 21.792  -29.58  1   13.87  ? 94  VAL   C N    1 ? 
ATOM   5065 C CA   . VAL   C 1 82  ? 18.483 22.177  -29.642 1   13.005 ? 94  VAL   C CA   1 ? 
ATOM   5066 C C    . VAL   C 1 82  ? 19.32  21.032  -30.205 1   14.282 ? 94  VAL   C C    1 ? 
ATOM   5067 O O    . VAL   C 1 82  ? 20.265 21.291  -30.921 1   13.896 ? 94  VAL   C O    1 ? 
ATOM   5068 C CB   . VAL   C 1 82  ? 19.014 22.71   -28.302 1   14.835 ? 94  VAL   C CB   1 ? 
ATOM   5069 C CG1  . VAL   C 1 82  ? 20.484 23.05   -28.387 1   17.163 ? 94  VAL   C CG1  1 ? 
ATOM   5070 C CG2  . VAL   C 1 82  ? 18.202 23.927  -27.875 1   15.636 ? 94  VAL   C CG2  1 ? 
ATOM   5071 H H    . VAL   C 1 82  ? 16.662 21.713  -28.772 1   14.022 ? 94  VAL   C H    1 c 
ATOM   5072 H HA   . VAL   C 1 82  ? 18.545 22.914  -30.28  1   13.489 ? 94  VAL   C HA   1 c 
ATOM   5073 H HB   . VAL   C 1 82  ? 18.893 21.999  -27.629 1   14.883 ? 94  VAL   C HB   1 c 
ATOM   5074 H HG11 . VAL   C 1 82  ? 20.628 23.692  -29.103 1   16.781 ? 94  VAL   C HG11 1 c 
ATOM   5075 H HG12 . VAL   C 1 82  ? 20.998 22.245  -28.565 1   16.714 ? 94  VAL   C HG12 1 c 
ATOM   5076 H HG13 . VAL   C 1 82  ? 20.773 23.437  -27.544 1   16.599 ? 94  VAL   C HG13 1 c 
ATOM   5077 H HG21 . VAL   C 1 82  ? 18.549 24.27   -27.034 1   15.396 ? 94  VAL   C HG21 1 c 
ATOM   5078 H HG22 . VAL   C 1 82  ? 17.27  23.675  -27.76  1   15.559 ? 94  VAL   C HG22 1 c 
ATOM   5079 H HG23 . VAL   C 1 82  ? 18.268 24.617  -28.557 1   15.565 ? 94  VAL   C HG23 1 c 
ATOM   5080 N N    . ALA   C 1 83  ? 18.924 19.776  -29.982 1   15.566 ? 95  ALA   C N    1 ? 
ATOM   5081 C CA   . ALA   C 1 83  ? 19.603 18.627  -30.538 1   16.027 ? 95  ALA   C CA   1 ? 
ATOM   5082 C C    . ALA   C 1 83  ? 19.618 18.676  -32.067 1   17.35  ? 95  ALA   C C    1 ? 
ATOM   5083 O O    . ALA   C 1 83  ? 20.486 18.058  -32.672 1   19.716 ? 95  ALA   C O    1 ? 
ATOM   5084 C CB   . ALA   C 1 83  ? 18.933 17.359  -30.051 1   19.519 ? 95  ALA   C CB   1 ? 
ATOM   5085 H H    . ALA   C 1 83  ? 18.195 19.632  -29.45  1   15.429 ? 95  ALA   C H    1 c 
ATOM   5086 H HA   . ALA   C 1 83  ? 20.547 18.64   -30.217 1   16.441 ? 95  ALA   C HA   1 c 
ATOM   5087 H HB1  . ALA   C 1 83  ? 18.977 17.317  -29.081 1   18.718 ? 95  ALA   C HB1  1 c 
ATOM   5088 H HB2  . ALA   C 1 83  ? 18.003 17.352  -30.33  1   18.799 ? 95  ALA   C HB2  1 c 
ATOM   5089 H HB3  . ALA   C 1 83  ? 19.386 16.585  -30.426 1   18.736 ? 95  ALA   C HB3  1 c 
ATOM   5090 N N    . THR   C 1 84  ? 18.66  19.368  -32.712 1   16.409 ? 96  THR   C N    1 ? 
ATOM   5091 C CA   . THR   C 1 84  ? 18.622 19.44   -34.172 1   17.197 ? 96  THR   C CA   1 ? 
ATOM   5092 C C    . THR   C 1 84  ? 19.497 20.533  -34.763 1   16.806 ? 96  THR   C C    1 ? 
ATOM   5093 O O    . THR   C 1 84  ? 19.576 20.631  -35.983 1   18.933 ? 96  THR   C O    1 ? 
ATOM   5094 C CB   . THR   C 1 84  ? 17.196 19.636  -34.666 1   19.99  ? 96  THR   C CB   1 ? 
ATOM   5095 O OG1  . THR   C 1 84  ? 16.742 20.943  -34.353 1   19.725 ? 96  THR   C OG1  1 ? 
ATOM   5096 C CG2  . THR   C 1 84  ? 16.254 18.579  -34.114 1   22.517 ? 96  THR   C CG2  1 ? 
ATOM   5097 H H    . THR   C 1 84  ? 18.013 19.798  -32.233 1   16.804 ? 96  THR   C H    1 c 
ATOM   5098 H HA   . THR   C 1 84  ? 18.94  18.578  -34.52  1   17.349 ? 96  THR   C HA   1 c 
ATOM   5099 H HB   . THR   C 1 84  ? 17.198 19.537  -35.648 1   19.716 ? 96  THR   C HB   1 c 
ATOM   5100 H HG1  . THR   C 1 84  ? 16.764 21.056  -33.497 0   19.75  ? 96  THR   C HG1  1 c 
ATOM   5101 H HG21 . THR   C 1 84  ? 15.36  18.725  -34.467 1   22.053 ? 96  THR   C HG21 1 c 
ATOM   5102 H HG22 . THR   C 1 84  ? 16.232 18.636  -33.146 1   22.057 ? 96  THR   C HG22 1 c 
ATOM   5103 H HG23 . THR   C 1 84  ? 16.565 17.697  -34.379 1   22.073 ? 96  THR   C HG23 1 c 
ATOM   5104 N N    . MET   C 1 85  ? 20.115 21.38   -33.945 1   16.717 ? 97  MET   C N    1 ? 
ATOM   5105 C CA   . MET   C 1 85  ? 20.721 22.619  -34.415 1   15.296 ? 97  MET   C CA   1 ? 
ATOM   5106 C C    . MET   C 1 85  ? 22.22  22.468  -34.629 1   14.539 ? 97  MET   C C    1 ? 
ATOM   5107 O O    . MET   C 1 85  ? 22.899 21.706  -33.936 1   16.075 ? 97  MET   C O    1 ? 
ATOM   5108 C CB   . MET   C 1 85  ? 20.498 23.694  -33.355 1   14.473 ? 97  MET   C CB   1 ? 
ATOM   5109 C CG   . MET   C 1 85  ? 19.074 24.089  -33.23  1   14.536 ? 97  MET   C CG   1 ? 
ATOM   5110 S SD   . MET   C 1 85  ? 18.795 25.406  -32.037 1   14.653 ? 97  MET   C SD   1 ? 
ATOM   5111 C CE   . MET   C 1 85  ? 19.496 26.807  -32.931 1   15.105 ? 97  MET   C CE   1 ? 
ATOM   5112 H H    . MET   C 1 85  ? 20.168 21.181  -33.055 1   16.607 ? 97  MET   C H    1 c 
ATOM   5113 H HA   . MET   C 1 85  ? 20.289 22.888  -35.264 1   15.286 ? 97  MET   C HA   1 c 
ATOM   5114 H HB2  . MET   C 1 85  ? 20.817 23.358  -32.49  1   14.689 ? 97  MET   C HB2  1 c 
ATOM   5115 H HB3  . MET   C 1 85  ? 21.032 24.483  -33.587 1   14.677 ? 97  MET   C HB3  1 c 
ATOM   5116 H HG2  . MET   C 1 85  ? 18.746 24.383  -34.1   1   14.571 ? 97  MET   C HG2  1 c 
ATOM   5117 H HG3  . MET   C 1 85  ? 18.549 23.311  -32.961 1   14.428 ? 97  MET   C HG3  1 c 
ATOM   5118 H HE1  . MET   C 1 85  ? 19.418 27.611  -32.386 1   14.973 ? 97  MET   C HE1  1 c 
ATOM   5119 H HE2  . MET   C 1 85  ? 20.437 26.635  -33.119 1   15.131 ? 97  MET   C HE2  1 c 
ATOM   5120 H HE3  . MET   C 1 85  ? 19.014 26.932  -33.769 1   15.002 ? 97  MET   C HE3  1 c 
ATOM   5121 N N    . LYS   C 1 86  ? 22.717 23.187  -35.631 1   15.499 ? 98  LYS   C N    1 ? 
ATOM   5122 C CA   . LYS   C 1 86  ? 24.137 23.274  -35.931 1   16.241 ? 98  LYS   C CA   1 ? 
ATOM   5123 C C    . LYS   C 1 86  ? 24.737 24.5    -35.244 1   16.022 ? 98  LYS   C C    1 ? 
ATOM   5124 O O    . LYS   C 1 86  ? 24.035 25.452  -34.921 1   16.738 ? 98  LYS   C O    1 ? 
ATOM   5125 C CB   . LYS   C 1 86  ? 24.368 23.342  -37.456 1   18.375 ? 98  LYS   C CB   1 ? 
ATOM   5126 C CG   . LYS   C 1 86  ? 23.92  22.098  -38.235 1   22.278 ? 98  LYS   C CG   1 ? 
ATOM   5127 C CD   . LYS   C 1 86  ? 23.835 22.246  -39.755 1   27.588 ? 98  LYS   C CD   1 ? 
ATOM   5128 C CE   . LYS   C 1 86  ? 22.961 21.177  -40.41  1   29.72  ? 98  LYS   C CE   1 ? 
ATOM   5129 N NZ   . LYS   C 1 86  ? 23.302 21.085  -41.832 1   39.222 ? 98  LYS   C NZ   1 ? 
ATOM   5130 H H    . LYS   C 1 86  ? 22.137 23.654  -36.162 1   15.503 ? 98  LYS   C H    1 c 
ATOM   5131 H HA   . LYS   C 1 86  ? 24.583 22.463  -35.579 1   16.357 ? 98  LYS   C HA   1 c 
ATOM   5132 H HB2  . LYS   C 1 86  ? 23.886 24.12   -37.811 1   18.46  ? 98  LYS   C HB2  1 c 
ATOM   5133 H HB3  . LYS   C 1 86  ? 25.324 23.484  -37.621 1   18.362 ? 98  LYS   C HB3  1 c 
ATOM   5134 H HG2  . LYS   C 1 86  ? 24.544 21.369  -38.028 1   22.167 ? 98  LYS   C HG2  1 c 
ATOM   5135 H HG3  . LYS   C 1 86  ? 23.038 21.829  -37.899 1   22.233 ? 98  LYS   C HG3  1 c 
ATOM   5136 H HD2  . LYS   C 1 86  ? 23.47  23.133  -39.969 1   27.048 ? 98  LYS   C HD2  1 c 
ATOM   5137 H HD3  . LYS   C 1 86  ? 24.74  22.194  -40.13  1   26.963 ? 98  LYS   C HD3  1 c 
ATOM   5138 H HE2  . LYS   C 1 86  ? 23.111 20.314  -39.984 1   30.755 ? 98  LYS   C HE2  1 c 
ATOM   5139 H HE3  . LYS   C 1 86  ? 22.02  21.411  -40.317 1   30.793 ? 98  LYS   C HE3  1 c 
ATOM   5140 H HZ1  . LYS   C 1 86  ? 24.169 20.839  -41.926 1   36.512 ? 98  LYS   C HZ1  1 c 
ATOM   5141 H HZ2  . LYS   C 1 86  ? 23.175 21.888  -42.231 1   36.522 ? 98  LYS   C HZ2  1 c 
ATOM   5142 H HZ3  . LYS   C 1 86  ? 22.774 20.467  -42.233 1   36.793 ? 98  LYS   C HZ3  1 c 
ATOM   5143 N N    A LYS   C 1 87  ? 26.063 24.496  -35.087 0.5 15.534 ? 99  LYS   C N    1 ? 
ATOM   5144 N N    B LYS   C 1 87  ? 26.055 24.478  -35.029 0.5 15.697 ? 99  LYS   C N    1 ? 
ATOM   5145 C CA   A LYS   C 1 87  ? 26.763 25.632  -34.511 0.5 16.269 ? 99  LYS   C CA   1 ? 
ATOM   5146 C CA   B LYS   C 1 87  ? 26.77  25.629  -34.496 0.5 16.893 ? 99  LYS   C CA   1 ? 
ATOM   5147 C C    A LYS   C 1 87  ? 26.534 26.85   -35.4   0.5 17.188 ? 99  LYS   C C    1 ? 
ATOM   5148 C C    B LYS   C 1 87  ? 26.555 26.841  -35.397 0.5 17.546 ? 99  LYS   C C    1 ? 
ATOM   5149 O O    A LYS   C 1 87  ? 26.771 26.821  -36.618 0.5 18.667 ? 99  LYS   C O    1 ? 
ATOM   5150 O O    B LYS   C 1 87  ? 26.833 26.783  -36.607 0.5 18.686 ? 99  LYS   C O    1 ? 
ATOM   5151 C CB   A LYS   C 1 87  ? 28.26  25.325  -34.353 0.5 17.08  ? 99  LYS   C CB   1 ? 
ATOM   5152 C CB   B LYS   C 1 87  ? 28.28  25.396  -34.342 0.5 18.137 ? 99  LYS   C CB   1 ? 
ATOM   5153 C CG   A LYS   C 1 87  ? 29.038 26.36   -33.559 0.5 17.602 ? 99  LYS   C CG   1 ? 
ATOM   5154 C CG   B LYS   C 1 87  ? 28.687 24.633  -33.087 0.5 19.692 ? 99  LYS   C CG   1 ? 
ATOM   5155 C CD   A LYS   C 1 87  ? 30.509 26.037  -33.349 0.5 20.516 ? 99  LYS   C CD   1 ? 
ATOM   5156 C CD   B LYS   C 1 87  ? 30.163 24.29   -32.95  0.5 21.101 ? 99  LYS   C CD   1 ? 
ATOM   5157 C CE   A LYS   C 1 87  ? 31.29  27.148  -32.694 0.5 23.316 ? 99  LYS   C CE   1 ? 
ATOM   5158 C CE   B LYS   C 1 87  ? 30.335 23.042  -32.155 0.5 20.452 ? 99  LYS   C CE   1 ? 
ATOM   5159 N NZ   A LYS   C 1 87  ? 32.682 26.73   -32.505 0.5 25.751 ? 99  LYS   C NZ   1 ? 
ATOM   5160 N NZ   B LYS   C 1 87  ? 31.729 22.848  -31.794 0.5 20.508 ? 99  LYS   C NZ   1 ? 
ATOM   5161 H H    A LYS   C 1 87  ? 26.546 23.763  -35.344 0.5 15.68  ? 99  LYS   C H    1 c 
ATOM   5162 H H    B LYS   C 1 87  ? 26.527 23.719  -35.223 0.5 15.899 ? 99  LYS   C H    1 c 
ATOM   5163 H HA   A LYS   C 1 87  ? 26.377 25.814  -33.617 0.5 16.411 ? 99  LYS   C HA   1 c 
ATOM   5164 H HA   B LYS   C 1 87  ? 26.394 25.834  -33.602 0.5 16.938 ? 99  LYS   C HA   1 c 
ATOM   5165 H HB2  A LYS   C 1 87  ? 28.358 24.456  -33.909 0.5 16.996 ? 99  LYS   C HB2  1 c 
ATOM   5166 H HB2  B LYS   C 1 87  ? 28.6   24.896  -35.123 0.5 18.114 ? 99  LYS   C HB2  1 c 
ATOM   5167 H HB3  A LYS   C 1 87  ? 28.663 25.251  -35.244 0.5 16.864 ? 99  LYS   C HB3  1 c 
ATOM   5168 H HB3  B LYS   C 1 87  ? 28.735 26.265  -34.339 0.5 18.144 ? 99  LYS   C HB3  1 c 
ATOM   5169 H HG2  A LYS   C 1 87  ? 28.966 27.221  -34.022 0.5 17.981 ? 99  LYS   C HG2  1 c 
ATOM   5170 H HG2  B LYS   C 1 87  ? 28.422 25.171  -32.309 0.5 19.5   ? 99  LYS   C HG2  1 c 
ATOM   5171 H HG3  A LYS   C 1 87  ? 28.609 26.46   -32.682 0.5 17.837 ? 99  LYS   C HG3  1 c 
ATOM   5172 H HG3  B LYS   C 1 87  ? 28.17  23.804  -33.055 0.5 19.744 ? 99  LYS   C HG3  1 c 
ATOM   5173 H HD2  A LYS   C 1 87  ? 30.578 25.23   -32.794 0.5 20.46  ? 99  LYS   C HD2  1 c 
ATOM   5174 H HD2  B LYS   C 1 87  ? 30.556 24.166  -33.842 0.5 20.927 ? 99  LYS   C HD2  1 c 
ATOM   5175 H HD3  A LYS   C 1 87  ? 30.915 25.835  -34.22  0.5 20.502 ? 99  LYS   C HD3  1 c 
ATOM   5176 H HD3  B LYS   C 1 87  ? 30.631 25.028  -32.502 0.5 20.842 ? 99  LYS   C HD3  1 c 
ATOM   5177 H HE2  A LYS   C 1 87  ? 31.266 27.945  -33.253 0.5 23.296 ? 99  LYS   C HE2  1 c 
ATOM   5178 H HE2  B LYS   C 1 87  ? 29.794 23.085  -31.348 0.5 20.453 ? 99  LYS   C HE2  1 c 
ATOM   5179 H HE3  A LYS   C 1 87  ? 30.902 27.362  -31.828 0.5 23.333 ? 99  LYS   C HE3  1 c 
ATOM   5180 H HE3  B LYS   C 1 87  ? 30.036 22.28   -32.684 0.5 20.478 ? 99  LYS   C HE3  1 c 
ATOM   5181 H HZ1  A LYS   C 1 87  ? 33.052 26.53   -33.308 0.5 25.453 ? 99  LYS   C HZ1  1 c 
ATOM   5182 H HZ1  B LYS   C 1 87  ? 32.002 23.523  -31.254 0.5 20.567 ? 99  LYS   C HZ1  1 c 
ATOM   5183 H HZ2  A LYS   C 1 87  ? 32.712 25.997  -31.973 0.5 25.552 ? 99  LYS   C HZ2  1 c 
ATOM   5184 H HZ2  B LYS   C 1 87  ? 32.242 22.839  -32.541 0.5 20.37  ? 99  LYS   C HZ2  1 c 
ATOM   5185 H HZ3  A LYS   C 1 87  ? 33.153 27.4    -32.118 0.5 25.37  ? 99  LYS   C HZ3  1 c 
ATOM   5186 H HZ3  B LYS   C 1 87  ? 31.826 22.06   -31.357 0.5 20.527 ? 99  LYS   C HZ3  1 c 
ATOM   5187 N N    . GLY   C 1 88  ? 26.123 27.946  -34.77  1   17.538 ? 100 GLY   C N    1 ? 
ATOM   5188 C CA   . GLY   C 1 88  ? 25.866 29.205  -35.462 1   18.428 ? 100 GLY   C CA   1 ? 
ATOM   5189 C C    . GLY   C 1 88  ? 24.436 29.331  -35.992 1   16.809 ? 100 GLY   C C    1 ? 
ATOM   5190 O O    . GLY   C 1 88  ? 24.039 30.399  -36.442 1   19.143 ? 100 GLY   C O    1 ? 
ATOM   5191 H H    A GLY   C 1 88  ? 25.996 27.912  -33.866 0.5 17.578 ? 100 GLY   C H    1 c 
ATOM   5192 H H    B GLY   C 1 88  ? 25.983 27.91   -33.868 0.5 17.691 ? 100 GLY   C H    1 c 
ATOM   5193 H HA2  . GLY   C 1 88  ? 26.042 29.945  -34.838 1   17.984 ? 100 GLY   C HA2  1 c 
ATOM   5194 H HA3  . GLY   C 1 88  ? 26.498 29.293  -36.213 1   18.049 ? 100 GLY   C HA3  1 c 
ATOM   5195 N N    . GLU   C 1 89  ? 23.639 28.25   -35.898 1   16.462 ? 101 GLU   C N    1 ? 
ATOM   5196 C CA   . GLU   C 1 89  ? 22.245 28.273  -36.317 1   16.352 ? 101 GLU   C CA   1 ? 
ATOM   5197 C C    . GLU   C 1 89  ? 21.412 29.169  -35.399 1   15.557 ? 101 GLU   C C    1 ? 
ATOM   5198 O O    . GLU   C 1 89  ? 21.589 29.176  -34.17  1   14.903 ? 101 GLU   C O    1 ? 
ATOM   5199 C CB   . GLU   C 1 89  ? 21.704 26.84   -36.335 1   15.856 ? 101 GLU   C CB   1 ? 
ATOM   5200 C CG   . GLU   C 1 89  ? 20.278 26.699  -36.853 1   15.694 ? 101 GLU   C CG   1 ? 
ATOM   5201 C CD   . GLU   C 1 89  ? 19.855 25.242  -36.944 1   17.13  ? 101 GLU   C CD   1 ? 
ATOM   5202 O OE1  . GLU   C 1 89  ? 20.655 24.37   -37.374 1   17.49  ? 101 GLU   C OE1  1 ? 
ATOM   5203 O OE2  . GLU   C 1 89  ? 18.721 24.993  -36.526 1   17.566 ? 101 GLU   C OE2  1 ? 
ATOM   5204 H H    . GLU   C 1 89  ? 23.975 27.473  -35.556 1   16.449 ? 101 GLU   C H    1 c 
ATOM   5205 H HA   . GLU   C 1 89  ? 22.209 28.636  -37.234 1   16.275 ? 101 GLU   C HA   1 c 
ATOM   5206 H HB2  . GLU   C 1 89  ? 22.296 26.291  -36.89  1   15.858 ? 101 GLU   C HB2  1 c 
ATOM   5207 H HB3  . GLU   C 1 89  ? 21.735 26.483  -35.424 1   15.891 ? 101 GLU   C HB3  1 c 
ATOM   5208 H HG2  . GLU   C 1 89  ? 19.663 27.173  -36.253 1   15.879 ? 101 GLU   C HG2  1 c 
ATOM   5209 H HG3  . GLU   C 1 89  ? 20.212 27.105  -37.742 1   15.957 ? 101 GLU   C HG3  1 c 
ATOM   5210 N N    . ILE   C 1 90  ? 20.454 29.889  -36.013 1   16.166 ? 102 ILE   C N    1 ? 
ATOM   5211 C CA   . ILE   C 1 90  ? 19.374 30.501  -35.259 1   15.725 ? 102 ILE   C CA   1 ? 
ATOM   5212 C C    . ILE   C 1 90  ? 18.056 29.873  -35.717 1   17.236 ? 102 ILE   C C    1 ? 
ATOM   5213 O O    . ILE   C 1 90  ? 17.797 29.761  -36.902 1   18.765 ? 102 ILE   C O    1 ? 
ATOM   5214 C CB   . ILE   C 1 90  ? 19.36  32.026  -35.403 1   16.705 ? 102 ILE   C CB   1 ? 
ATOM   5215 C CG1  . ILE   C 1 90  ? 20.659 32.658  -34.96  1   19.286 ? 102 ILE   C CG1  1 ? 
ATOM   5216 C CG2  . ILE   C 1 90  ? 18.155 32.591  -34.667 1   17.029 ? 102 ILE   C CG2  1 ? 
ATOM   5217 C CD1  . ILE   C 1 90  ? 20.741 34.143  -35.223 1   20.915 ? 102 ILE   C CD1  1 ? 
ATOM   5218 H H    . ILE   C 1 90  ? 20.481 30      -36.92  1   15.694 ? 102 ILE   C H    1 c 
ATOM   5219 H HA   . ILE   C 1 90  ? 19.503 30.29   -34.318 1   16.218 ? 102 ILE   C HA   1 c 
ATOM   5220 H HB   . ILE   C 1 90  ? 19.247 32.229  -36.353 1   16.927 ? 102 ILE   C HB   1 c 
ATOM   5221 H HG12 . ILE   C 1 90  ? 20.772 32.501  -34.001 1   19.039 ? 102 ILE   C HG12 1 c 
ATOM   5222 H HG13 . ILE   C 1 90  ? 21.399 32.216  -35.424 1   19.14  ? 102 ILE   C HG13 1 c 
ATOM   5223 H HG21 . ILE   C 1 90  ? 18.145 33.559  -34.749 1   16.92  ? 102 ILE   C HG21 1 c 
ATOM   5224 H HG22 . ILE   C 1 90  ? 18.204 32.348  -33.728 1   17.112 ? 102 ILE   C HG22 1 c 
ATOM   5225 H HG23 . ILE   C 1 90  ? 17.339 32.231  -35.051 1   17.064 ? 102 ILE   C HG23 1 c 
ATOM   5226 H HD11 . ILE   C 1 90  ? 20.623 34.312  -36.177 1   20.693 ? 102 ILE   C HD11 1 c 
ATOM   5227 H HD12 . ILE   C 1 90  ? 21.616 34.472  -34.943 1   20.632 ? 102 ILE   C HD12 1 c 
ATOM   5228 H HD13 . ILE   C 1 90  ? 20.046 34.612  -34.724 1   20.68  ? 102 ILE   C HD13 1 c 
ATOM   5229 N N    . ALA   C 1 91  ? 17.264 29.422  -34.75  1   14.36  ? 103 ALA   C N    1 ? 
ATOM   5230 C CA   . ALA   C 1 91  ? 15.98  28.813  -35.016 1   15.167 ? 103 ALA   C CA   1 ? 
ATOM   5231 C C    . ALA   C 1 91  ? 14.902 29.462  -34.167 1   14.805 ? 103 ALA   C C    1 ? 
ATOM   5232 O O    . ALA   C 1 91  ? 15.159 29.967  -33.081 1   15.275 ? 103 ALA   C O    1 ? 
ATOM   5233 C CB   . ALA   C 1 91  ? 16.067 27.327  -34.719 1   17.223 ? 103 ALA   C CB   1 ? 
ATOM   5234 H H    . ALA   C 1 91  ? 17.536 29.5    -33.881 1   14.698 ? 103 ALA   C H    1 c 
ATOM   5235 H HA   . ALA   C 1 91  ? 15.755 28.948  -35.976 1   15.299 ? 103 ALA   C HA   1 c 
ATOM   5236 H HB1  . ALA   C 1 91  ? 16.744 26.919  -35.285 1   16.904 ? 103 ALA   C HB1  1 c 
ATOM   5237 H HB2  . ALA   C 1 91  ? 16.307 27.193  -33.786 1   16.838 ? 103 ALA   C HB2  1 c 
ATOM   5238 H HB3  . ALA   C 1 91  ? 15.208 26.907  -34.893 1   16.773 ? 103 ALA   C HB3  1 c 
ATOM   5239 N N    . HIS   C 1 92  ? 13.688 29.365  -34.7   1   14.994 ? 104 HIS   C N    1 ? 
ATOM   5240 C CA   . HIS   C 1 92  ? 12.47  29.666  -33.971 1   15.474 ? 104 HIS   C CA   1 ? 
ATOM   5241 C C    . HIS   C 1 92  ? 11.726 28.367  -33.682 1   16.273 ? 104 HIS   C C    1 ? 
ATOM   5242 O O    . HIS   C 1 92  ? 11.589 27.513  -34.574 1   16.756 ? 104 HIS   C O    1 ? 
ATOM   5243 C CB   . HIS   C 1 92  ? 11.613 30.614  -34.805 1   15.125 ? 104 HIS   C CB   1 ? 
ATOM   5244 C CG   . HIS   C 1 92  ? 12.127 32.026  -34.878 1   13.8   ? 104 HIS   C CG   1 ? 
ATOM   5245 N ND1  . HIS   C 1 92  ? 11.522 33.029  -35.612 1   14.923 ? 104 HIS   C ND1  1 ? 
ATOM   5246 C CD2  . HIS   C 1 92  ? 13.178 32.596  -34.238 1   13.415 ? 104 HIS   C CD2  1 ? 
ATOM   5247 C CE1  . HIS   C 1 92  ? 12.189 34.169  -35.428 1   15.22  ? 104 HIS   C CE1  1 ? 
ATOM   5248 N NE2  . HIS   C 1 92  ? 13.223 33.921  -34.589 1   14.865 ? 104 HIS   C NE2  1 ? 
ATOM   5249 H H    . HIS   C 1 92  ? 13.612 29.094  -35.569 1   15.113 ? 104 HIS   C H    1 c 
ATOM   5250 H HA   . HIS   C 1 92  ? 12.704 30.096  -33.115 1   15.495 ? 104 HIS   C HA   1 c 
ATOM   5251 H HB2  . HIS   C 1 92  ? 11.547 30.255  -35.717 1   15.026 ? 104 HIS   C HB2  1 c 
ATOM   5252 H HB3  . HIS   C 1 92  ? 10.706 30.628  -34.429 1   15.123 ? 104 HIS   C HB3  1 c 
ATOM   5253 H HD1  . HIS   C 1 92  ? 10.808 32.93   -36.124 0   15.37  ? 104 HIS   C HD1  1 c 
ATOM   5254 H HD2  . HIS   C 1 92  ? 13.778 32.167  -33.661 1   13.777 ? 104 HIS   C HD2  1 c 
ATOM   5255 H HE1  . HIS   C 1 92  ? 11.989 34.997  -35.831 1   15.13  ? 104 HIS   C HE1  1 c 
ATOM   5256 H HE2  . HIS   C 1 92  ? 13.817 34.507  -34.32  0   15.35  ? 104 HIS   C HE2  1 c 
ATOM   5257 N N    . LEU   C 1 93  ? 11.248 28.234  -32.434 1   14.985 ? 105 LEU   C N    1 ? 
ATOM   5258 C CA   . LEU   C 1 93  ? 10.464 27.094  -31.976 1   15.541 ? 105 LEU   C CA   1 ? 
ATOM   5259 C C    . LEU   C 1 93  ? 9.145  27.612  -31.418 1   14.954 ? 105 LEU   C C    1 ? 
ATOM   5260 O O    . LEU   C 1 93  ? 9.134  28.536  -30.604 1   14.011 ? 105 LEU   C O    1 ? 
ATOM   5261 C CB   . LEU   C 1 93  ? 11.18  26.326  -30.865 1   16.119 ? 105 LEU   C CB   1 ? 
ATOM   5262 C CG   . LEU   C 1 93  ? 12.551 25.723  -31.156 1   17.084 ? 105 LEU   C CG   1 ? 
ATOM   5263 C CD1  . LEU   C 1 93  ? 13.049 24.959  -29.88  1   18.22  ? 105 LEU   C CD1  1 ? 
ATOM   5264 C CD2  . LEU   C 1 93  ? 12.506 24.805  -32.352 1   18.675 ? 105 LEU   C CD2  1 ? 
ATOM   5265 H H    . LEU   C 1 93  ? 11.423 28.899  -31.832 1   15.147 ? 105 LEU   C H    1 c 
ATOM   5266 H HA   . LEU   C 1 93  ? 10.29  26.494  -32.74  1   15.579 ? 105 LEU   C HA   1 c 
ATOM   5267 H HB2  . LEU   C 1 93  ? 11.274 26.932  -30.095 1   16.137 ? 105 LEU   C HB2  1 c 
ATOM   5268 H HB3  . LEU   C 1 93  ? 10.585 25.597  -30.574 1   16.066 ? 105 LEU   C HB3  1 c 
ATOM   5269 H HG   . LEU   C 1 93  ? 13.186 26.461  -31.349 1   17.284 ? 105 LEU   C HG   1 c 
ATOM   5270 H HD11 . LEU   C 1 93  ? 13.114 25.58   -29.134 1   18.03  ? 105 LEU   C HD11 1 c 
ATOM   5271 H HD12 . LEU   C 1 93  ? 13.923 24.57   -30.053 1   18.007 ? 105 LEU   C HD12 1 c 
ATOM   5272 H HD13 . LEU   C 1 93  ? 12.419 24.253  -29.657 1   17.968 ? 105 LEU   C HD13 1 c 
ATOM   5273 H HD21 . LEU   C 1 93  ? 12.238 25.307  -33.139 1   18.322 ? 105 LEU   C HD21 1 c 
ATOM   5274 H HD22 . LEU   C 1 93  ? 11.865 24.092  -32.19  1   18.431 ? 105 LEU   C HD22 1 c 
ATOM   5275 H HD23 . LEU   C 1 93  ? 13.386 24.42   -32.499 1   18.272 ? 105 LEU   C HD23 1 c 
ATOM   5276 N N    . LEU   C 1 94  ? 8.046  26.956  -31.804 1   16.052 ? 106 LEU   C N    1 ? 
ATOM   5277 C CA   . LEU   C 1 94  ? 6.779  27.127  -31.14  1   15.504 ? 106 LEU   C CA   1 ? 
ATOM   5278 C C    . LEU   C 1 94  ? 6.411  25.798  -30.494 1   16.287 ? 106 LEU   C C    1 ? 
ATOM   5279 O O    . LEU   C 1 94  ? 6.486  24.752  -31.14  1   17.36  ? 106 LEU   C O    1 ? 
ATOM   5280 C CB   . LEU   C 1 94  ? 5.772  27.565  -32.205 1   17.153 ? 106 LEU   C CB   1 ? 
ATOM   5281 C CG   . LEU   C 1 94  ? 4.38   27.943  -31.69  1   20.086 ? 106 LEU   C CG   1 ? 
ATOM   5282 C CD1  . LEU   C 1 94  ? 4.424  29.19   -30.796 1   18.883 ? 106 LEU   C CD1  1 ? 
ATOM   5283 C CD2  . LEU   C 1 94  ? 3.46   28.207  -32.834 1   22.275 ? 106 LEU   C CD2  1 ? 
ATOM   5284 H H    . LEU   C 1 94  ? 8.094  26.381  -32.513 1   15.722 ? 106 LEU   C H    1 c 
ATOM   5285 H HA   . LEU   C 1 94  ? 6.864  27.826  -30.445 1   15.826 ? 106 LEU   C HA   1 c 
ATOM   5286 H HB2  . LEU   C 1 94  ? 6.148  28.339  -32.684 1   17.189 ? 106 LEU   C HB2  1 c 
ATOM   5287 H HB3  . LEU   C 1 94  ? 5.673  26.831  -32.855 1   17.206 ? 106 LEU   C HB3  1 c 
ATOM   5288 H HG   . LEU   C 1 94  ? 4.02   27.185  -31.161 1   19.701 ? 106 LEU   C HG   1 c 
ATOM   5289 H HD11 . LEU   C 1 94  ? 4.979  29.015  -30.018 1   19.186 ? 106 LEU   C HD11 1 c 
ATOM   5290 H HD12 . LEU   C 1 94  ? 3.523  29.413  -30.505 1   19.086 ? 106 LEU   C HD12 1 c 
ATOM   5291 H HD13 . LEU   C 1 94  ? 4.795  29.936  -31.297 1   19.14  ? 106 LEU   C HD13 1 c 
ATOM   5292 H HD21 . LEU   C 1 94  ? 3.387  27.408  -33.383 1   21.878 ? 106 LEU   C HD21 1 c 
ATOM   5293 H HD22 . LEU   C 1 94  ? 3.81   28.937  -33.372 1   22.006 ? 106 LEU   C HD22 1 c 
ATOM   5294 H HD23 . LEU   C 1 94  ? 2.581  28.447  -32.496 1   21.801 ? 106 LEU   C HD23 1 c 
ATOM   5295 N N    . ILE   C 1 95  ? 5.972  25.869  -29.227 1   15.131 ? 107 ILE   C N    1 ? 
ATOM   5296 C CA   . ILE   C 1 95  ? 5.932  24.701  -28.378 1   16.906 ? 107 ILE   C CA   1 ? 
ATOM   5297 C C    . ILE   C 1 95  ? 4.579  24.613  -27.676 1   18.252 ? 107 ILE   C C    1 ? 
ATOM   5298 O O    . ILE   C 1 95  ? 4.208  25.526  -26.933 1   18.814 ? 107 ILE   C O    1 ? 
ATOM   5299 C CB   . ILE   C 1 95  ? 7.08   24.747  -27.341 1   15.927 ? 107 ILE   C CB   1 ? 
ATOM   5300 C CG1  . ILE   C 1 95  ? 8.463  24.83   -28.008 1   16.501 ? 107 ILE   C CG1  1 ? 
ATOM   5301 C CG2  . ILE   C 1 95  ? 6.988  23.593  -26.364 1   15.748 ? 107 ILE   C CG2  1 ? 
ATOM   5302 C CD1  . ILE   C 1 95  ? 9.532  25.446  -27.118 1   17.016 ? 107 ILE   C CD1  1 ? 
ATOM   5303 H H    . ILE   C 1 95  ? 5.688  26.67   -28.891 1   15.64  ? 107 ILE   C H    1 c 
ATOM   5304 H HA   . ILE   C 1 95  ? 6.05   23.908  -28.932 1   16.683 ? 107 ILE   C HA   1 c 
ATOM   5305 H HB   . ILE   C 1 95  ? 6.964  25.57   -26.825 1   16.1   ? 107 ILE   C HB   1 c 
ATOM   5306 H HG12 . ILE   C 1 95  ? 8.744  23.929  -28.264 1   16.471 ? 107 ILE   C HG12 1 c 
ATOM   5307 H HG13 . ILE   C 1 95  ? 8.391  25.364  -28.824 1   16.477 ? 107 ILE   C HG13 1 c 
ATOM   5308 H HG21 . ILE   C 1 95  ? 7.75   23.617  -25.76  1   15.651 ? 107 ILE   C HG21 1 c 
ATOM   5309 H HG22 . ILE   C 1 95  ? 6.991  22.752  -26.852 1   15.764 ? 107 ILE   C HG22 1 c 
ATOM   5310 H HG23 . ILE   C 1 95  ? 6.169  23.664  -25.849 1   15.875 ? 107 ILE   C HG23 1 c 
ATOM   5311 H HD11 . ILE   C 1 95  ? 9.256  26.344  -26.856 1   16.872 ? 107 ILE   C HD11 1 c 
ATOM   5312 H HD12 . ILE   C 1 95  ? 10.377 25.495  -27.604 1   16.898 ? 107 ILE   C HD12 1 c 
ATOM   5313 H HD13 . ILE   C 1 95  ? 9.649  24.898  -26.318 1   16.875 ? 107 ILE   C HD13 1 c 
ATOM   5314 N N    . LYS   C 1 96  ? 3.918  23.466  -27.846 1   18.901 ? 108 LYS   C N    1 ? 
ATOM   5315 C CA   . LYS   C 1 96  ? 2.662  23.223  -27.165 1   18.642 ? 108 LYS   C CA   1 ? 
ATOM   5316 C C    . LYS   C 1 96  ? 2.957  22.828  -25.726 1   19.222 ? 108 LYS   C C    1 ? 
ATOM   5317 O O    . LYS   C 1 96  ? 4.06   22.373  -25.396 1   17.956 ? 108 LYS   C O    1 ? 
ATOM   5318 C CB   . LYS   C 1 96  ? 1.848  22.147  -27.898 1   20.264 ? 108 LYS   C CB   1 ? 
ATOM   5319 C CG   . LYS   C 1 96  ? 1.259  22.659  -29.198 1   21.954 ? 108 LYS   C CG   1 ? 
ATOM   5320 H H    . LYS   C 1 96  ? 4.258  22.821  -28.398 1   18.816 ? 108 LYS   C H    1 c 
ATOM   5321 H HA   . LYS   C 1 96  ? 2.144  24.067  -27.163 1   18.928 ? 108 LYS   C HA   1 c 
ATOM   5322 H HB2  . LYS   C 1 96  ? 2.426  21.379  -28.092 1   20.321 ? 108 LYS   C HB2  1 c 
ATOM   5323 H HB3  . LYS   C 1 96  ? 1.119  21.839  -27.32  1   20.273 ? 108 LYS   C HB3  1 c 
ATOM   5324 H HG2  . LYS   C 1 96  ? 2.005  22.887  -29.806 0   22.36  ? 108 LYS   C HG2  1 c 
ATOM   5325 H HG3  . LYS   C 1 96  ? 0.287  22.626  -29.133 0   22.36  ? 108 LYS   C HG3  1 c 
ATOM   5326 N N    . PRO   C 1 97  ? 1.982  22.97   -24.809 1   18.882 ? 109 PRO   C N    1 ? 
ATOM   5327 C CA   . PRO   C 1 97  ? 2.245  22.728  -23.395 1   21.447 ? 109 PRO   C CA   1 ? 
ATOM   5328 C C    . PRO   C 1 97  ? 2.821  21.349  -23.08  1   20.006 ? 109 PRO   C C    1 ? 
ATOM   5329 O O    . PRO   C 1 97  ? 3.626  21.226  -22.141 1   21.323 ? 109 PRO   C O    1 ? 
ATOM   5330 C CB   . PRO   C 1 97  ? 0.897  22.946  -22.717 1   22.003 ? 109 PRO   C CB   1 ? 
ATOM   5331 C CG   . PRO   C 1 97  ? 0.063  23.719  -23.714 1   22.137 ? 109 PRO   C CG   1 ? 
ATOM   5332 C CD   . PRO   C 1 97  ? 0.643  23.518  -25.079 1   21.156 ? 109 PRO   C CD   1 ? 
ATOM   5333 H HA   . PRO   C 1 97  ? 2.87   23.409  -23.071 1   20.945 ? 109 PRO   C HA   1 c 
ATOM   5334 H HB2  . PRO   C 1 97  ? 0.474  22.091  -22.503 1   22.056 ? 109 PRO   C HB2  1 c 
ATOM   5335 H HB3  . PRO   C 1 97  ? 1.005  23.453  -21.889 1   21.925 ? 109 PRO   C HB3  1 c 
ATOM   5336 H HG2  . PRO   C 1 97  ? -0.863 23.404  -23.695 1   22.013 ? 109 PRO   C HG2  1 c 
ATOM   5337 H HG3  . PRO   C 1 97  ? 0.068  24.67   -23.489 1   21.877 ? 109 PRO   C HG3  1 c 
ATOM   5338 H HD2  . PRO   C 1 97  ? 0.109  22.888  -25.6   1   20.942 ? 109 PRO   C HD2  1 c 
ATOM   5339 H HD3  . PRO   C 1 97  ? 0.704  24.364  -25.562 1   20.784 ? 109 PRO   C HD3  1 c 
ATOM   5340 N N    . GLU   C 1 98  ? 2.412  20.321  -23.852 1   22.62  ? 110 GLU   C N    1 ? 
ATOM   5341 C CA   . GLU   C 1 98  ? 2.847  18.961  -23.558 1   21.674 ? 110 GLU   C CA   1 ? 
ATOM   5342 C C    . GLU   C 1 98  ? 4.38   18.86   -23.576 1   22.464 ? 110 GLU   C C    1 ? 
ATOM   5343 O O    . GLU   C 1 98  ? 4.948  17.967  -22.933 1   23.1   ? 110 GLU   C O    1 ? 
ATOM   5344 C CB   . GLU   C 1 98  ? 2.261  17.92   -24.512 1   22.207 ? 110 GLU   C CB   1 ? 
ATOM   5345 H H    . GLU   C 1 98  ? 1.858  20.471  -24.563 1   21.836 ? 110 GLU   C H    1 c 
ATOM   5346 H HA   . GLU   C 1 98  ? 2.538  18.738  -22.643 1   22.08  ? 110 GLU   C HA   1 c 
ATOM   5347 H HB2  . GLU   C 1 98  ? 3.004  17.452  -24.965 0   22.24  ? 110 GLU   C HB2  1 c 
ATOM   5348 H HB3  . GLU   C 1 98  ? 1.287  17.972  -24.484 0   22.24  ? 110 GLU   C HB3  1 c 
ATOM   5349 N N    . TYR   C 1 99  ? 5.058  19.746  -24.324 1   19.989 ? 111 TYR   C N    1 ? 
ATOM   5350 C CA   . TYR   C 1 99  ? 6.513  19.697  -24.443 1   18.407 ? 111 TYR   C CA   1 ? 
ATOM   5351 C C    . TYR   C 1 99  ? 7.166  20.841  -23.657 1   17.304 ? 111 TYR   C C    1 ? 
ATOM   5352 O O    . TYR   C 1 99  ? 8.326  21.149  -23.843 1   18.085 ? 111 TYR   C O    1 ? 
ATOM   5353 C CB   . TYR   C 1 99  ? 6.909  19.729  -25.937 1   17.61  ? 111 TYR   C CB   1 ? 
ATOM   5354 C CG   . TYR   C 1 99  ? 6.474  18.488  -26.683 1   19.327 ? 111 TYR   C CG   1 ? 
ATOM   5355 C CD1  . TYR   C 1 99  ? 5.204  18.385  -27.229 1   19.84  ? 111 TYR   C CD1  1 ? 
ATOM   5356 C CD2  . TYR   C 1 99  ? 7.302  17.392  -26.778 1   19.631 ? 111 TYR   C CD2  1 ? 
ATOM   5357 C CE1  . TYR   C 1 99  ? 4.786  17.229  -27.887 1   20.634 ? 111 TYR   C CE1  1 ? 
ATOM   5358 C CE2  . TYR   C 1 99  ? 6.905  16.242  -27.432 1   20.813 ? 111 TYR   C CE2  1 ? 
ATOM   5359 C CZ   . TYR   C 1 99  ? 5.644  16.154  -27.992 1   20.821 ? 111 TYR   C CZ   1 ? 
ATOM   5360 O OH   . TYR   C 1 99  ? 5.258  15.004  -28.611 1   22.658 ? 111 TYR   C OH   1 ? 
ATOM   5361 H H    . TYR   C 1 99  ? 4.603  20.39   -24.785 1   20.023 ? 111 TYR   C H    1 c 
ATOM   5362 H HA   . TYR   C 1 99  ? 6.83   18.837  -24.059 1   18.327 ? 111 TYR   C HA   1 c 
ATOM   5363 H HB2  . TYR   C 1 99  ? 6.498  20.517  -26.356 1   17.945 ? 111 TYR   C HB2  1 c 
ATOM   5364 H HB3  . TYR   C 1 99  ? 7.886  19.817  -26.004 1   18.008 ? 111 TYR   C HB3  1 c 
ATOM   5365 H HD1  . TYR   C 1 99  ? 4.611  19.117  -27.162 1   19.962 ? 111 TYR   C HD1  1 c 
ATOM   5366 H HD2  . TYR   C 1 99  ? 8.167  17.432  -26.403 1   19.854 ? 111 TYR   C HD2  1 c 
ATOM   5367 H HE1  . TYR   C 1 99  ? 3.923  17.182  -28.26  1   20.496 ? 111 TYR   C HE1  1 c 
ATOM   5368 H HE2  . TYR   C 1 99  ? 7.494  15.51   -27.493 1   20.63  ? 111 TYR   C HE2  1 c 
ATOM   5369 H HH   . TYR   C 1 99  ? 4.441  15.084  -28.894 0   22.75  ? 111 TYR   C HH   1 c 
ATOM   5370 N N    . ALA   C 1 100 ? 6.415  21.476  -22.758 1   17.366 ? 112 ALA   C N    1 ? 
ATOM   5371 C CA   . ALA   C 1 100 ? 6.9    22.583  -21.961 1   17.867 ? 112 ALA   C CA   1 ? 
ATOM   5372 C C    . ALA   C 1 100 ? 6.455  22.33   -20.519 1   17.12  ? 112 ALA   C C    1 ? 
ATOM   5373 O O    . ALA   C 1 100 ? 7.031  21.441  -19.903 1   19.391 ? 112 ALA   C O    1 ? 
ATOM   5374 C CB   . ALA   C 1 100 ? 6.45   23.889  -22.544 1   16.998 ? 112 ALA   C CB   1 ? 
ATOM   5375 H H    . ALA   C 1 100 ? 5.554  21.2    -22.631 1   17.394 ? 112 ALA   C H    1 c 
ATOM   5376 H HA   . ALA   C 1 100 ? 7.894  22.558  -21.975 1   17.709 ? 112 ALA   C HA   1 c 
ATOM   5377 H HB1  . ALA   C 1 100 ? 6.835  24.001  -23.43  1   17.266 ? 112 ALA   C HB1  1 c 
ATOM   5378 H HB2  . ALA   C 1 100 ? 5.481  23.902  -22.613 1   17.127 ? 112 ALA   C HB2  1 c 
ATOM   5379 H HB3  . ALA   C 1 100 ? 6.742  24.621  -21.974 1   17.166 ? 112 ALA   C HB3  1 c 
ATOM   5380 N N    . TYR   C 1 101 ? 5.506  23.092  -19.962 1   18.462 ? 113 TYR   C N    1 ? 
ATOM   5381 C CA   . TYR   C 1 101 ? 5.117  22.945  -18.555 1   18.808 ? 113 TYR   C CA   1 ? 
ATOM   5382 C C    . TYR   C 1 101 ? 3.706  22.367  -18.347 1   19.138 ? 113 TYR   C C    1 ? 
ATOM   5383 O O    . TYR   C 1 101 ? 3.245  22.283  -17.207 1   20.202 ? 113 TYR   C O    1 ? 
ATOM   5384 C CB   . TYR   C 1 101 ? 5.291  24.291  -17.854 1   17.924 ? 113 TYR   C CB   1 ? 
ATOM   5385 C CG   . TYR   C 1 101 ? 6.714  24.822  -17.946 1   17.996 ? 113 TYR   C CG   1 ? 
ATOM   5386 C CD1  . TYR   C 1 101 ? 7.651  24.517  -16.98  1   16.046 ? 113 TYR   C CD1  1 ? 
ATOM   5387 C CD2  . TYR   C 1 101 ? 7.092  25.69   -18.969 1   16.005 ? 113 TYR   C CD2  1 ? 
ATOM   5388 C CE1  . TYR   C 1 101 ? 8.961  24.972  -17.071 1   15.886 ? 113 TYR   C CE1  1 ? 
ATOM   5389 C CE2  . TYR   C 1 101 ? 8.376  26.171  -19.047 1   15.637 ? 113 TYR   C CE2  1 ? 
ATOM   5390 C CZ   . TYR   C 1 101 ? 9.321  25.807  -18.103 1   14.686 ? 113 TYR   C CZ   1 ? 
ATOM   5391 O OH   . TYR   C 1 101 ? 10.6   26.326  -18.184 1   15.092 ? 113 TYR   C OH   1 ? 
ATOM   5392 H H    . TYR   C 1 101 ? 5.082  23.723  -20.469 1   18.208 ? 113 TYR   C H    1 c 
ATOM   5393 H HA   . TYR   C 1 101 ? 5.757  22.312  -18.135 1   18.815 ? 113 TYR   C HA   1 c 
ATOM   5394 H HB2  . TYR   C 1 101 ? 4.677  24.941  -18.262 1   18.218 ? 113 TYR   C HB2  1 c 
ATOM   5395 H HB3  . TYR   C 1 101 ? 5.047  24.188  -16.907 1   18.194 ? 113 TYR   C HB3  1 c 
ATOM   5396 H HD1  . TYR   C 1 101 ? 7.415  23.931  -16.278 1   16.435 ? 113 TYR   C HD1  1 c 
ATOM   5397 H HD2  . TYR   C 1 101 ? 6.465  25.932  -19.631 1   16.205 ? 113 TYR   C HD2  1 c 
ATOM   5398 H HE1  . TYR   C 1 101 ? 9.591  24.737  -16.412 1   15.725 ? 113 TYR   C HE1  1 c 
ATOM   5399 H HE2  . TYR   C 1 101 ? 8.62   26.744  -19.754 1   15.633 ? 113 TYR   C HE2  1 c 
ATOM   5400 H HH   . TYR   C 1 101 ? 11.073 26.055  -17.525 0   15.15  ? 113 TYR   C HH   1 c 
ATOM   5401 N N    . GLY   C 1 102 ? 3.044  21.896  -19.411 1   20.003 ? 114 GLY   C N    1 ? 
ATOM   5402 C CA   . GLY   C 1 102 ? 1.85   21.071  -19.307 1   20.967 ? 114 GLY   C CA   1 ? 
ATOM   5403 C C    . GLY   C 1 102 ? 0.632  21.819  -18.78  1   22.345 ? 114 GLY   C C    1 ? 
ATOM   5404 O O    . GLY   C 1 102 ? 0.583  23.054  -18.704 1   22.019 ? 114 GLY   C O    1 ? 
ATOM   5405 H H    . GLY   C 1 102 ? 3.351  22.105  -20.246 1   20.254 ? 114 GLY   C H    1 c 
ATOM   5406 H HA2  . GLY   C 1 102 ? 1.642  20.704  -20.198 1   21.01  ? 114 GLY   C HA2  1 c 
ATOM   5407 H HA3  . GLY   C 1 102 ? 2.044  20.311  -18.709 1   21.198 ? 114 GLY   C HA3  1 c 
ATOM   5408 N N    . SER   C 1 103 ? -0.374 21.02   -18.428 1   24.18  ? 115 SER   C N    1 ? 
ATOM   5409 C CA   . SER   C 1 103 ? -1.621 21.548  -17.911 1   26.275 ? 115 SER   C CA   1 ? 
ATOM   5410 C C    . SER   C 1 103 ? -1.411 22.211  -16.55  1   27.052 ? 115 SER   C C    1 ? 
ATOM   5411 O O    . SER   C 1 103 ? -2.034 23.22   -16.254 1   33.438 ? 115 SER   C O    1 ? 
ATOM   5412 C CB   . SER   C 1 103 ? -2.695 20.453  -17.868 1   28.836 ? 115 SER   C CB   1 ? 
ATOM   5413 O OG   . SER   C 1 103 ? -2.298 19.342  -17.068 1   29.384 ? 115 SER   C OG   1 ? 
ATOM   5414 H H    . SER   C 1 103 ? -0.28  20.114  -18.514 1   24.149 ? 115 SER   C H    1 c 
ATOM   5415 H HA   . SER   C 1 103 ? -1.929 22.248  -18.537 1   26.469 ? 115 SER   C HA   1 c 
ATOM   5416 H HB2  . SER   C 1 103 ? -3.521 20.829  -17.509 1   28.488 ? 115 SER   C HB2  1 c 
ATOM   5417 H HB3  . SER   C 1 103 ? -2.874 20.145  -18.777 1   28.645 ? 115 SER   C HB3  1 c 
ATOM   5418 H HG   . SER   C 1 103 ? -2.932 18.767  -17.07  0   29.49  ? 115 SER   C HG   1 c 
ATOM   5419 N N    . ALA   C 1 104 ? -0.51  21.675  -15.735 1   27.641 ? 116 ALA   C N    1 ? 
ATOM   5420 C CA   . ALA   C 1 104 ? -0.21  22.238  -14.425 1   29.899 ? 116 ALA   C CA   1 ? 
ATOM   5421 C C    . ALA   C 1 104 ? 0.451  23.612  -14.524 1   26.976 ? 116 ALA   C C    1 ? 
ATOM   5422 O O    . ALA   C 1 104 ? 0.298  24.444  -13.621 1   29.252 ? 116 ALA   C O    1 ? 
ATOM   5423 C CB   . ALA   C 1 104 ? 0.686  21.292  -13.644 1   30.816 ? 116 ALA   C CB   1 ? 
ATOM   5424 H H    . ALA   C 1 104 ? -0.062 20.923  -16     1   28.009 ? 116 ALA   C H    1 c 
ATOM   5425 H HA   . ALA   C 1 104 ? -1.07  22.345  -13.932 1   29.421 ? 116 ALA   C HA   1 c 
ATOM   5426 H HB1  . ALA   C 1 104 ? 0.239  20.437  -13.53  1   30.601 ? 116 ALA   C HB1  1 c 
ATOM   5427 H HB2  . ALA   C 1 104 ? 1.519  21.156  -14.127 1   30.752 ? 116 ALA   C HB2  1 c 
ATOM   5428 H HB3  . ALA   C 1 104 ? 0.881  21.672  -12.771 1   30.619 ? 116 ALA   C HB3  1 c 
ATOM   5429 N N    . GLY   C 1 105 ? 1.227  23.843  -15.597 1   22.404 ? 117 GLY   C N    1 ? 
ATOM   5430 C CA   . GLY   C 1 105 ? 2.109  24.991  -15.616 1   22.483 ? 117 GLY   C CA   1 ? 
ATOM   5431 C C    . GLY   C 1 105 ? 3.212  24.863  -14.55  1   18.831 ? 117 GLY   C C    1 ? 
ATOM   5432 O O    . GLY   C 1 105 ? 3.529  23.788  -14.059 1   18.421 ? 117 GLY   C O    1 ? 
ATOM   5433 H H    . GLY   C 1 105 ? 1.208  23.28   -16.316 1   23.149 ? 117 GLY   C H    1 c 
ATOM   5434 H HA2  . GLY   C 1 105 ? 2.52   25.068  -16.509 1   22.27  ? 117 GLY   C HA2  1 c 
ATOM   5435 H HA3  . GLY   C 1 105 ? 1.582  25.808  -15.452 1   22.052 ? 117 GLY   C HA3  1 c 
ATOM   5436 N N    . SER   C 1 106 ? 3.809  25.998  -14.209 1   17.637 ? 118 SER   C N    1 ? 
ATOM   5437 C CA   . SER   C 1 106 ? 4.836  26.055  -13.185 1   17.218 ? 118 SER   C CA   1 ? 
ATOM   5438 C C    . SER   C 1 106 ? 4.803  27.458  -12.616 1   17.572 ? 118 SER   C C    1 ? 
ATOM   5439 O O    . SER   C 1 106 ? 5.595  28.31   -12.966 1   18.825 ? 118 SER   C O    1 ? 
ATOM   5440 C CB   . SER   C 1 106 ? 6.162  25.693  -13.729 1   17.019 ? 118 SER   C CB   1 ? 
ATOM   5441 O OG   . SER   C 1 106 ? 7.093  25.505  -12.689 1   16.09  ? 118 SER   C OG   1 ? 
ATOM   5442 H H    . SER   C 1 106 ? 3.569  26.77   -14.634 1   18.071 ? 118 SER   C H    1 c 
ATOM   5443 H HA   . SER   C 1 106 ? 4.601  25.417  -12.464 1   17.457 ? 118 SER   C HA   1 c 
ATOM   5444 H HB2  . SER   C 1 106 ? 6.085  24.871  -14.248 1   16.922 ? 118 SER   C HB2  1 c 
ATOM   5445 H HB3  . SER   C 1 106 ? 6.475  26.401  -14.324 1   17.179 ? 118 SER   C HB3  1 c 
ATOM   5446 H HG   . SER   C 1 106 ? 7.844  25.299  -13.042 0   16.22  ? 118 SER   C HG   1 c 
ATOM   5447 N N    . LEU   C 1 107 ? 3.833  27.679  -11.74  1   19.056 ? 119 LEU   C N    1 ? 
ATOM   5448 C CA   . LEU   C 1 107 ? 3.574  29.005  -11.209 1   21.422 ? 119 LEU   C CA   1 ? 
ATOM   5449 C C    . LEU   C 1 107 ? 4.683  29.368  -10.233 1   21.694 ? 119 LEU   C C    1 ? 
ATOM   5450 O O    . LEU   C 1 107 ? 5.3    28.487  -9.625  1   23.31  ? 119 LEU   C O    1 ? 
ATOM   5451 C CB   . LEU   C 1 107 ? 2.19   29.03   -10.558 1   23.761 ? 119 LEU   C CB   1 ? 
ATOM   5452 C CG   . LEU   C 1 107 ? 0.994  29.018  -11.527 1   29.2   ? 119 LEU   C CG   1 ? 
ATOM   5453 C CD1  . LEU   C 1 107 ? -0.298 28.762  -10.799 1   32.218 ? 119 LEU   C CD1  1 ? 
ATOM   5454 C CD2  . LEU   C 1 107 ? 0.923  30.319  -12.308 1   30.815 ? 119 LEU   C CD2  1 ? 
ATOM   5455 H H    . LEU   C 1 107 ? 3.312  26.982  -11.46  1   19.436 ? 119 LEU   C H    1 c 
ATOM   5456 H HA   . LEU   C 1 107 ? 3.591  29.644  -11.963 1   21.515 ? 119 LEU   C HA   1 c 
ATOM   5457 H HB2  . LEU   C 1 107 ? 2.115  28.25   -9.962  1   24.198 ? 119 LEU   C HB2  1 c 
ATOM   5458 H HB3  . LEU   C 1 107 ? 2.127  29.838  -9.998  1   24.169 ? 119 LEU   C HB3  1 c 
ATOM   5459 H HG   . LEU   C 1 107 ? 1.131  28.28   -12.175 1   28.882 ? 119 LEU   C HG   1 c 
ATOM   5460 H HD11 . LEU   C 1 107 ? -0.252 27.902  -10.348 1   31.713 ? 119 LEU   C HD11 1 c 
ATOM   5461 H HD12 . LEU   C 1 107 ? -1.033 28.753  -11.435 1   31.748 ? 119 LEU   C HD12 1 c 
ATOM   5462 H HD13 . LEU   C 1 107 ? -0.446 29.464  -10.143 1   31.663 ? 119 LEU   C HD13 1 c 
ATOM   5463 H HD21 . LEU   C 1 107 ? 1.735  30.43   -12.831 1   30.427 ? 119 LEU   C HD21 1 c 
ATOM   5464 H HD22 . LEU   C 1 107 ? 0.832  31.064  -11.691 1   30.585 ? 119 LEU   C HD22 1 c 
ATOM   5465 H HD23 . LEU   C 1 107 ? 0.157  30.298  -12.905 1   30.54  ? 119 LEU   C HD23 1 c 
ATOM   5466 N N    . PRO   C 1 108 ? 4.98   30.67   -10.024 1   24.896 ? 120 PRO   C N    1 ? 
ATOM   5467 C CA   . PRO   C 1 108 ? 4.29   31.791  -10.68  1   24.607 ? 120 PRO   C CA   1 ? 
ATOM   5468 C C    . PRO   C 1 108 ? 4.683  32.069  -12.132 1   24.605 ? 120 PRO   C C    1 ? 
ATOM   5469 O O    . PRO   C 1 108 ? 3.999  32.811  -12.818 1   27.964 ? 120 PRO   C O    1 ? 
ATOM   5470 C CB   . PRO   C 1 108 ? 4.743  33.002  -9.873  1   26.925 ? 120 PRO   C CB   1 ? 
ATOM   5471 C CG   . PRO   C 1 108 ? 6.128  32.58   -9.4    1   24.021 ? 120 PRO   C CG   1 ? 
ATOM   5472 C CD   . PRO   C 1 108 ? 5.991  31.123  -9.054  1   24.934 ? 120 PRO   C CD   1 ? 
ATOM   5473 H HA   . PRO   C 1 108 ? 3.32   31.678  -10.609 1   25.073 ? 120 PRO   C HA   1 c 
ATOM   5474 H HB2  . PRO   C 1 108 ? 4.787  33.804  -10.428 1   26.087 ? 120 PRO   C HB2  1 c 
ATOM   5475 H HB3  . PRO   C 1 108 ? 4.147  33.162  -9.115  1   26.147 ? 120 PRO   C HB3  1 c 
ATOM   5476 H HG2  . PRO   C 1 108 ? 6.791  32.705  -10.107 1   24.655 ? 120 PRO   C HG2  1 c 
ATOM   5477 H HG3  . PRO   C 1 108 ? 6.401  33.096  -8.615  1   24.417 ? 120 PRO   C HG3  1 c 
ATOM   5478 H HD2  . PRO   C 1 108 ? 6.834  30.644  -9.177  1   24.848 ? 120 PRO   C HD2  1 c 
ATOM   5479 H HD3  . PRO   C 1 108 ? 5.677  30.998  -8.137  1   24.89  ? 120 PRO   C HD3  1 c 
ATOM   5480 N N    . LYS   C 1 109 ? 5.825  31.549  -12.587 1   20.481 ? 121 LYS   C N    1 ? 
ATOM   5481 C CA   . LYS   C 1 109 ? 6.332  31.999  -13.879 1   20.577 ? 121 LYS   C CA   1 ? 
ATOM   5482 C C    . LYS   C 1 109 ? 5.421  31.566  -15.032 1   20.049 ? 121 LYS   C C    1 ? 
ATOM   5483 O O    . LYS   C 1 109 ? 5.167  32.357  -15.934 1   19.008 ? 121 LYS   C O    1 ? 
ATOM   5484 C CB   . LYS   C 1 109 ? 7.755  31.503  -14.123 1   20.659 ? 121 LYS   C CB   1 ? 
ATOM   5485 C CG   . LYS   C 1 109 ? 8.421  32.128  -15.317 1   24.804 ? 121 LYS   C CG   1 ? 
ATOM   5486 C CD   . LYS   C 1 109 ? 8.673  33.602  -15.105 1   28.882 ? 121 LYS   C CD   1 ? 
ATOM   5487 C CE   . LYS   C 1 109 ? 10.012 33.996  -15.607 1   32.169 ? 121 LYS   C CE   1 ? 
ATOM   5488 N NZ   . LYS   C 1 109 ? 10.249 35.436  -15.546 1   32.892 ? 121 LYS   C NZ   1 ? 
ATOM   5489 H H    . LYS   C 1 109 ? 6.287  30.923  -12.107 1   21.231 ? 121 LYS   C H    1 c 
ATOM   5490 H HA   . LYS   C 1 109 ? 6.355  32.989  -13.864 1   20.474 ? 121 LYS   C HA   1 c 
ATOM   5491 H HB2  . LYS   C 1 109 ? 8.298  31.692  -13.328 1   21.202 ? 121 LYS   C HB2  1 c 
ATOM   5492 H HB3  . LYS   C 1 109 ? 7.736  30.531  -14.249 1   21.19  ? 121 LYS   C HB3  1 c 
ATOM   5493 H HG2  . LYS   C 1 109 ? 9.275  31.67   -15.48  1   24.497 ? 121 LYS   C HG2  1 c 
ATOM   5494 H HG3  . LYS   C 1 109 ? 7.851  32.003  -16.106 1   24.303 ? 121 LYS   C HG3  1 c 
ATOM   5495 H HD2  . LYS   C 1 109 ? 7.986  34.119  -15.579 1   28.652 ? 121 LYS   C HD2  1 c 
ATOM   5496 H HD3  . LYS   C 1 109 ? 8.612  33.812  -14.149 1   28.433 ? 121 LYS   C HD3  1 c 
ATOM   5497 H HE2  . LYS   C 1 109 ? 10.698 33.543  -15.085 1   31.699 ? 121 LYS   C HE2  1 c 
ATOM   5498 H HE3  . LYS   C 1 109 ? 10.102 33.707  -16.533 1   31.841 ? 121 LYS   C HE3  1 c 
ATOM   5499 H HZ1  . LYS   C 1 109 ? 10.13  35.731  -14.698 1   32.94  ? 121 LYS   C HZ1  1 c 
ATOM   5500 H HZ2  . LYS   C 1 109 ? 9.665  35.864  -16.091 1   32.948 ? 121 LYS   C HZ2  1 c 
ATOM   5501 H HZ3  . LYS   C 1 109 ? 11.095 35.621  -15.812 1   33.077 ? 121 LYS   C HZ3  1 c 
ATOM   5502 N N    . ILE   C 1 110 ? 5.005  30.289  -15.034 1   18.325 ? 122 ILE   C N    1 ? 
ATOM   5503 C CA   . ILE   C 1 110 ? 4.326  29.715  -16.198 1   19.189 ? 122 ILE   C CA   1 ? 
ATOM   5504 C C    . ILE   C 1 110 ? 2.909  29.273  -15.841 1   19.2   ? 122 ILE   C C    1 ? 
ATOM   5505 O O    . ILE   C 1 110 ? 2.682  28.408  -14.988 1   21.786 ? 122 ILE   C O    1 ? 
ATOM   5506 C CB   . ILE   C 1 110 ? 5.108  28.521  -16.78  1   17.902 ? 122 ILE   C CB   1 ? 
ATOM   5507 C CG1  . ILE   C 1 110 ? 6.615  28.785  -16.947 1   19.699 ? 122 ILE   C CG1  1 ? 
ATOM   5508 C CG2  . ILE   C 1 110 ? 4.48   28.033  -18.07  1   16.667 ? 122 ILE   C CG2  1 ? 
ATOM   5509 C CD1  . ILE   C 1 110 ? 6.986  29.831  -18.008 1   20.953 ? 122 ILE   C CD1  1 ? 
ATOM   5510 H H    . ILE   C 1 110 ? 5.148  29.764  -14.301 1   18.777 ? 122 ILE   C H    1 c 
ATOM   5511 H HA   . ILE   C 1 110 ? 4.272  30.401  -16.888 1   19.125 ? 122 ILE   C HA   1 c 
ATOM   5512 H HB   . ILE   C 1 110 ? 5.026  27.793  -16.134 1   18.31  ? 122 ILE   C HB   1 c 
ATOM   5513 H HG12 . ILE   C 1 110 ? 6.978  29.075  -16.086 1   19.69  ? 122 ILE   C HG12 1 c 
ATOM   5514 H HG13 . ILE   C 1 110 ? 7.052  27.94   -17.181 1   19.794 ? 122 ILE   C HG13 1 c 
ATOM   5515 H HG21 . ILE   C 1 110 ? 5.008  27.304  -18.433 1   17.105 ? 122 ILE   C HG21 1 c 
ATOM   5516 H HG22 . ILE   C 1 110 ? 4.45   28.76   -18.715 1   17.195 ? 122 ILE   C HG22 1 c 
ATOM   5517 H HG23 . ILE   C 1 110 ? 3.578  27.719  -17.897 1   16.744 ? 122 ILE   C HG23 1 c 
ATOM   5518 H HD11 . ILE   C 1 110 ? 6.677  29.537  -18.886 1   20.683 ? 122 ILE   C HD11 1 c 
ATOM   5519 H HD12 . ILE   C 1 110 ? 7.955  29.945  -18.029 1   20.852 ? 122 ILE   C HD12 1 c 
ATOM   5520 H HD13 . ILE   C 1 110 ? 6.566  30.684  -17.787 1   20.841 ? 122 ILE   C HD13 1 c 
ATOM   5521 N N    . PRO   C 1 111 ? 1.89   29.815  -16.519 1   17.557 ? 123 PRO   C N    1 ? 
ATOM   5522 C CA   . PRO   C 1 111 ? 0.52   29.39   -16.256 1   20.35  ? 123 PRO   C CA   1 ? 
ATOM   5523 C C    . PRO   C 1 111 ? 0.188  28.039  -16.885 1   20.429 ? 123 PRO   C C    1 ? 
ATOM   5524 O O    . PRO   C 1 111 ? 0.975  27.484  -17.655 1   23.451 ? 123 PRO   C O    1 ? 
ATOM   5525 C CB   . PRO   C 1 111 ? -0.351 30.498  -16.844 1   22.464 ? 123 PRO   C CB   1 ? 
ATOM   5526 C CG   . PRO   C 1 111 ? 0.485  31.151  -17.863 1   21.075 ? 123 PRO   C CG   1 ? 
ATOM   5527 C CD   . PRO   C 1 111 ? 1.989  30.858  -17.559 1   20.377 ? 123 PRO   C CD   1 ? 
ATOM   5528 H HA   . PRO   C 1 111 ? 0.371  29.343  -15.287 1   20.099 ? 123 PRO   C HA   1 c 
ATOM   5529 H HB2  . PRO   C 1 111 ? -1.161 30.128  -17.245 1   22.11  ? 123 PRO   C HB2  1 c 
ATOM   5530 H HB3  . PRO   C 1 111 ? -0.611 31.136  -16.151 1   21.865 ? 123 PRO   C HB3  1 c 
ATOM   5531 H HG2  . PRO   C 1 111 ? 0.256  30.81   -18.751 1   21.111 ? 123 PRO   C HG2  1 c 
ATOM   5532 H HG3  . PRO   C 1 111 ? 0.328  32.116  -17.858 1   21.227 ? 123 PRO   C HG3  1 c 
ATOM   5533 H HD2  . PRO   C 1 111 ? 2.457  30.523  -18.349 1   20.585 ? 123 PRO   C HD2  1 c 
ATOM   5534 H HD3  . PRO   C 1 111 ? 2.446  31.651  -17.219 1   20.027 ? 123 PRO   C HD3  1 c 
ATOM   5535 N N    . SER   C 1 112 ? -1.026 27.573  -16.555 1   22.766 ? 124 SER   C N    1 ? 
ATOM   5536 C CA   . SER   C 1 112 ? -1.589 26.386  -17.147 1   23.885 ? 124 SER   C CA   1 ? 
ATOM   5537 C C    . SER   C 1 112 ? -1.683 26.483  -18.664 1   22.685 ? 124 SER   C C    1 ? 
ATOM   5538 O O    . SER   C 1 112 ? -2.01  27.542  -19.192 1   24.279 ? 124 SER   C O    1 ? 
ATOM   5539 C CB   . SER   C 1 112 ? -2.946 26.243  -16.552 1   25.917 ? 124 SER   C CB   1 ? 
ATOM   5540 O OG   . SER   C 1 112 ? -3.572 25.066  -17.018 1   34.619 ? 124 SER   C OG   1 ? 
ATOM   5541 H H    . SER   C 1 112 ? -1.518 28.028  -15.933 1   22.337 ? 124 SER   C H    1 c 
ATOM   5542 H HA   . SER   C 1 112 ? -1.034 25.604  -16.898 1   23.173 ? 124 SER   C HA   1 c 
ATOM   5543 H HB2  . SER   C 1 112 ? -2.872 26.208  -15.579 1   24.684 ? 124 SER   C HB2  1 c 
ATOM   5544 H HB3  . SER   C 1 112 ? -3.488 27.018  -16.791 1   25.292 ? 124 SER   C HB3  1 c 
ATOM   5545 H HG   . SER   C 1 112 ? -4.337 24.997  -16.668 0   34.2   ? 124 SER   C HG   1 c 
ATOM   5546 N N    . ASN   C 1 113 ? -1.326 25.393  -19.357 1   21.559 ? 125 ASN   C N    1 ? 
ATOM   5547 C CA   . ASN   C 1 113 ? -1.573 25.226  -20.78  1   22.236 ? 125 ASN   C CA   1 ? 
ATOM   5548 C C    . ASN   C 1 113 ? -0.966 26.367  -21.581 1   21.438 ? 125 ASN   C C    1 ? 
ATOM   5549 O O    . ASN   C 1 113 ? -1.636 26.891  -22.49  1   22.471 ? 125 ASN   C O    1 ? 
ATOM   5550 C CB   . ASN   C 1 113 ? -3.075 25.098  -21.056 1   24.727 ? 125 ASN   C CB   1 ? 
ATOM   5551 C CG   . ASN   C 1 113 ? -3.549 23.743  -20.623 1   26.153 ? 125 ASN   C CG   1 ? 
ATOM   5552 O OD1  . ASN   C 1 113 ? -4.672 23.608  -20.127 1   32.98  ? 125 ASN   C OD1  1 ? 
ATOM   5553 N ND2  . ASN   C 1 113 ? -2.783 22.705  -20.909 1   31.454 ? 125 ASN   C ND2  1 ? 
ATOM   5554 H H    . ASN   C 1 113 ? -0.904 24.715  -18.912 1   22.51  ? 125 ASN   C H    1 c 
ATOM   5555 H HA   . ASN   C 1 113 ? -1.141 24.393  -21.068 1   22.922 ? 125 ASN   C HA   1 c 
ATOM   5556 H HB2  . ASN   C 1 113 ? -3.563 25.789  -20.566 1   25.08  ? 125 ASN   C HB2  1 c 
ATOM   5557 H HB3  . ASN   C 1 113 ? -3.249 25.214  -22.011 1   25.015 ? 125 ASN   C HB3  1 c 
ATOM   5558 H HD21 . ASN   C 1 113 ? -2.95  21.921  -20.527 1   30.224 ? 125 ASN   C HD21 1 c 
ATOM   5559 H HD22 . ASN   C 1 113 ? -2.118 22.776  -21.492 1   30.514 ? 125 ASN   C HD22 1 c 
ATOM   5560 N N    . ALA   C 1 114 ? 0.289  26.712  -21.272 1   19.911 ? 126 ALA   C N    1 ? 
ATOM   5561 C CA   . ALA   C 1 114 ? 0.959  27.804  -21.974 1   18.413 ? 126 ALA   C CA   1 ? 
ATOM   5562 C C    . ALA   C 1 114 ? 1.735  27.272  -23.184 1   19.382 ? 126 ALA   C C    1 ? 
ATOM   5563 O O    . ALA   C 1 114 ? 2.577  26.362  -23.071 1   18.674 ? 126 ALA   C O    1 ? 
ATOM   5564 C CB   . ALA   C 1 114 ? 1.922  28.493  -21.057 1   18.062 ? 126 ALA   C CB   1 ? 
ATOM   5565 H H    . ALA   C 1 114 ? 0.741  26.259  -20.619 1   19.985 ? 126 ALA   C H    1 c 
ATOM   5566 H HA   . ALA   C 1 114 ? 0.272  28.455  -22.289 1   19     ? 126 ALA   C HA   1 c 
ATOM   5567 H HB1  . ALA   C 1 114 ? 1.445  28.85   -20.29  1   18.337 ? 126 ALA   C HB1  1 c 
ATOM   5568 H HB2  . ALA   C 1 114 ? 2.593  27.86   -20.751 1   18.277 ? 126 ALA   C HB2  1 c 
ATOM   5569 H HB3  . ALA   C 1 114 ? 2.36   29.221  -21.53  1   18.234 ? 126 ALA   C HB3  1 c 
ATOM   5570 N N    . THR   C 1 115 ? 1.492  27.907  -24.331 1   19.686 ? 127 THR   C N    1 ? 
ATOM   5571 C CA   . THR   C 1 115 ? 2.297  27.716  -25.52  1   18.986 ? 127 THR   C CA   1 ? 
ATOM   5572 C C    . THR   C 1 115 ? 3.459  28.703  -25.432 1   17.111 ? 127 THR   C C    1 ? 
ATOM   5573 O O    . THR   C 1 115 ? 3.261  29.872  -25.088 1   19.349 ? 127 THR   C O    1 ? 
ATOM   5574 C CB   . THR   C 1 115 ? 1.462  27.943  -26.781 1   20.201 ? 127 THR   C CB   1 ? 
ATOM   5575 O OG1  . THR   C 1 115 ? 0.553  26.839  -26.877 1   24.308 ? 127 THR   C OG1  1 ? 
ATOM   5576 C CG2  . THR   C 1 115 ? 2.305  27.999  -28.042 1   18.865 ? 127 THR   C CG2  1 ? 
ATOM   5577 H H    . THR   C 1 115 ? 0.788  28.488  -24.374 1   19.469 ? 127 THR   C H    1 c 
ATOM   5578 H HA   . THR   C 1 115 ? 2.645  26.8    -25.526 1   19.002 ? 127 THR   C HA   1 c 
ATOM   5579 H HB   . THR   C 1 115 ? 0.949  28.782  -26.695 1   20.323 ? 127 THR   C HB   1 c 
ATOM   5580 H HG1  . THR   C 1 115 ? 1.004  26.092  -26.927 0   24.07  ? 127 THR   C HG1  1 c 
ATOM   5581 H HG21 . THR   C 1 115 ? 1.732  28.173  -28.808 1   19.051 ? 127 THR   C HG21 1 c 
ATOM   5582 H HG22 . THR   C 1 115 ? 2.759  27.15   -28.167 1   19.047 ? 127 THR   C HG22 1 c 
ATOM   5583 H HG23 . THR   C 1 115 ? 2.964  28.708  -27.966 1   19.099 ? 127 THR   C HG23 1 c 
ATOM   5584 N N    . LEU   C 1 116 ? 4.664  28.229  -25.748 1   17.604 ? 128 LEU   C N    1 ? 
ATOM   5585 C CA   . LEU   C 1 116 ? 5.883  29.028  -25.645 1   15.67  ? 128 LEU   C CA   1 ? 
ATOM   5586 C C    . LEU   C 1 116 ? 6.51   29.22   -27.024 1   14.875 ? 128 LEU   C C    1 ? 
ATOM   5587 O O    . LEU   C 1 116 ? 6.468  28.315  -27.839 1   15.202 ? 128 LEU   C O    1 ? 
ATOM   5588 C CB   . LEU   C 1 116 ? 6.923  28.381  -24.725 1   15.935 ? 128 LEU   C CB   1 ? 
ATOM   5589 C CG   . LEU   C 1 116 ? 6.47   28.041  -23.297 1   19.643 ? 128 LEU   C CG   1 ? 
ATOM   5590 C CD1  . LEU   C 1 116 ? 7.689  27.793  -22.424 1   19.912 ? 128 LEU   C CD1  1 ? 
ATOM   5591 C CD2  . LEU   C 1 116 ? 5.588  29.052  -22.706 1   22.481 ? 128 LEU   C CD2  1 ? 
ATOM   5592 H H    . LEU   C 1 116 ? 4.735  27.367  -26.045 1   17.144 ? 128 LEU   C H    1 c 
ATOM   5593 H HA   . LEU   C 1 116 ? 5.643  29.919  -25.284 1   15.912 ? 128 LEU   C HA   1 c 
ATOM   5594 H HB2  . LEU   C 1 116 ? 7.235  27.552  -25.155 1   16.444 ? 128 LEU   C HB2  1 c 
ATOM   5595 H HB3  . LEU   C 1 116 ? 7.697  28.988  -24.668 1   16.203 ? 128 LEU   C HB3  1 c 
ATOM   5596 H HG   . LEU   C 1 116 ? 5.959  27.191  -23.338 1   19.52  ? 128 LEU   C HG   1 c 
ATOM   5597 H HD11 . LEU   C 1 116 ? 8.204  27.053  -22.786 1   20.093 ? 128 LEU   C HD11 1 c 
ATOM   5598 H HD12 . LEU   C 1 116 ? 7.403  27.576  -21.521 1   20.065 ? 128 LEU   C HD12 1 c 
ATOM   5599 H HD13 . LEU   C 1 116 ? 8.243  28.592  -22.404 1   20.031 ? 128 LEU   C HD13 1 c 
ATOM   5600 H HD21 . LEU   C 1 116 ? 4.761  29.099  -23.208 1   21.832 ? 128 LEU   C HD21 1 c 
ATOM   5601 H HD22 . LEU   C 1 116 ? 6.03   29.917  -22.728 1   21.949 ? 128 LEU   C HD22 1 c 
ATOM   5602 H HD23 . LEU   C 1 116 ? 5.391  28.813  -21.785 1   22.018 ? 128 LEU   C HD23 1 c 
ATOM   5603 N N    . PHE   C 1 117 ? 7.103  30.387  -27.219 1   14.894 ? 129 PHE   C N    1 ? 
ATOM   5604 C CA   . PHE   C 1 117 ? 7.909  30.68   -28.385 1   14.708 ? 129 PHE   C CA   1 ? 
ATOM   5605 C C    . PHE   C 1 117 ? 9.339  30.999  -27.957 1   14.661 ? 129 PHE   C C    1 ? 
ATOM   5606 O O    . PHE   C 1 117 ? 9.553  31.74   -27.003 1   14.493 ? 129 PHE   C O    1 ? 
ATOM   5607 C CB   . PHE   C 1 117 ? 7.306  31.883  -29.102 1   15.892 ? 129 PHE   C CB   1 ? 
ATOM   5608 C CG   . PHE   C 1 117 ? 8.15   32.328  -30.293 1   16.929 ? 129 PHE   C CG   1 ? 
ATOM   5609 C CD1  . PHE   C 1 117 ? 8.012  31.734  -31.549 1   18.198 ? 129 PHE   C CD1  1 ? 
ATOM   5610 C CD2  . PHE   C 1 117 ? 9.131  33.3    -30.138 1   16.748 ? 129 PHE   C CD2  1 ? 
ATOM   5611 C CE1  . PHE   C 1 117 ? 8.823  32.136  -32.626 1   18.158 ? 129 PHE   C CE1  1 ? 
ATOM   5612 C CE2  . PHE   C 1 117 ? 9.919  33.681  -31.209 1   18.898 ? 129 PHE   C CE2  1 ? 
ATOM   5613 C CZ   . PHE   C 1 117 ? 9.762  33.101  -32.44  1   16.992 ? 129 PHE   C CZ   1 ? 
ATOM   5614 H H    . PHE   C 1 117 ? 7.002  31.042  -26.589 1   14.69  ? 129 PHE   C H    1 c 
ATOM   5615 H HA   . PHE   C 1 117 ? 7.909  29.898  -28.994 1   14.949 ? 129 PHE   C HA   1 c 
ATOM   5616 H HB2  . PHE   C 1 117 ? 6.405  31.647  -29.415 1   15.777 ? 129 PHE   C HB2  1 c 
ATOM   5617 H HB3  . PHE   C 1 117 ? 7.229  32.627  -28.465 1   15.749 ? 129 PHE   C HB3  1 c 
ATOM   5618 H HD1  . PHE   C 1 117 ? 7.363  31.061  -31.676 1   17.947 ? 129 PHE   C HD1  1 c 
ATOM   5619 H HD2  . PHE   C 1 117 ? 9.255  33.708  -29.296 1   17.013 ? 129 PHE   C HD2  1 c 
ATOM   5620 H HE1  . PHE   C 1 117 ? 8.712  31.74   -33.475 1   18.012 ? 129 PHE   C HE1  1 c 
ATOM   5621 H HE2  . PHE   C 1 117 ? 10.572 34.35   -31.091 1   18.078 ? 129 PHE   C HE2  1 c 
ATOM   5622 H HZ   . PHE   C 1 117 ? 10.304 33.375  -33.161 1   16.952 ? 129 PHE   C HZ   1 c 
ATOM   5623 N N    . PHE   C 1 118 ? 10.316 30.46   -28.689 1   13.804 ? 130 PHE   C N    1 ? 
ATOM   5624 C CA   . PHE   C 1 118 ? 11.702 30.835  -28.487 1   14.621 ? 130 PHE   C CA   1 ? 
ATOM   5625 C C    . PHE   C 1 118 ? 12.404 31.143  -29.809 1   15.237 ? 130 PHE   C C    1 ? 
ATOM   5626 O O    . PHE   C 1 118 ? 12.164 30.5    -30.821 1   14.95  ? 130 PHE   C O    1 ? 
ATOM   5627 C CB   . PHE   C 1 118 ? 12.496 29.709  -27.824 1   14.355 ? 130 PHE   C CB   1 ? 
ATOM   5628 C CG   . PHE   C 1 118 ? 12.107 29.388  -26.389 1   13.74  ? 130 PHE   C CG   1 ? 
ATOM   5629 C CD1  . PHE   C 1 118 ? 11.084 28.48   -26.126 1   14.085 ? 130 PHE   C CD1  1 ? 
ATOM   5630 C CD2  . PHE   C 1 118 ? 12.793 29.953  -25.322 1   14.453 ? 130 PHE   C CD2  1 ? 
ATOM   5631 C CE1  . PHE   C 1 118 ? 10.75  28.153  -24.825 1   14.437 ? 130 PHE   C CE1  1 ? 
ATOM   5632 C CE2  . PHE   C 1 118 ? 12.459 29.624  -24.02  1   13.839 ? 130 PHE   C CE2  1 ? 
ATOM   5633 C CZ   . PHE   C 1 118 ? 11.428 28.721  -23.786 1   14.732 ? 130 PHE   C CZ   1 ? 
ATOM   5634 H H    . PHE   C 1 118 ? 10.114 29.84   -29.33  1   14.049 ? 130 PHE   C H    1 c 
ATOM   5635 H HA   . PHE   C 1 118 ? 11.736 31.638  -27.907 1   14.557 ? 130 PHE   C HA   1 c 
ATOM   5636 H HB2  . PHE   C 1 118 ? 12.388 28.896  -28.367 1   14.358 ? 130 PHE   C HB2  1 c 
ATOM   5637 H HB3  . PHE   C 1 118 ? 13.449 29.951  -27.843 1   14.317 ? 130 PHE   C HB3  1 c 
ATOM   5638 H HD1  . PHE   C 1 118 ? 10.62  28.082  -26.845 1   14.011 ? 130 PHE   C HD1  1 c 
ATOM   5639 H HD2  . PHE   C 1 118 ? 13.496 30.56   -25.488 1   14.205 ? 130 PHE   C HD2  1 c 
ATOM   5640 H HE1  . PHE   C 1 118 ? 10.049 27.543  -24.657 1   14.384 ? 130 PHE   C HE1  1 c 
ATOM   5641 H HE2  . PHE   C 1 118 ? 12.922 30.017  -23.297 1   14.013 ? 130 PHE   C HE2  1 c 
ATOM   5642 H HZ   . PHE   C 1 118 ? 11.191 28.502  -22.899 1   14.508 ? 130 PHE   C HZ   1 c 
ATOM   5643 N N    . GLU   C 1 119 ? 13.362 32.067  -29.703 1   13.799 ? 131 GLU   C N    1 ? 
ATOM   5644 C CA   . GLU   C 1 119 ? 14.423 32.212  -30.672 1   13.208 ? 131 GLU   C CA   1 ? 
ATOM   5645 C C    . GLU   C 1 119 ? 15.702 31.754  -29.983 1   13.569 ? 131 GLU   C C    1 ? 
ATOM   5646 O O    . GLU   C 1 119 ? 15.997 32.203  -28.879 1   14.862 ? 131 GLU   C O    1 ? 
ATOM   5647 C CB   . GLU   C 1 119 ? 14.532 33.67   -31.115 1   11.668 ? 131 GLU   C CB   1 ? 
ATOM   5648 C CG   . GLU   C 1 119 ? 15.699 33.951  -32.059 1   11.678 ? 131 GLU   C CG   1 ? 
ATOM   5649 C CD   . GLU   C 1 119 ? 15.667 35.431  -32.462 1   13.161 ? 131 GLU   C CD   1 ? 
ATOM   5650 O OE1  . GLU   C 1 119 ? 14.875 35.774  -33.382 1   14.888 ? 131 GLU   C OE1  1 ? 
ATOM   5651 O OE2  . GLU   C 1 119 ? 16.445 36.258  -31.898 1   16.954 ? 131 GLU   C OE2  1 ? 
ATOM   5652 H H    . GLU   C 1 119 ? 13.349 32.636  -28.988 1   13.933 ? 131 GLU   C H    1 c 
ATOM   5653 H HA   . GLU   C 1 119 ? 14.235 31.631  -31.449 1   13.159 ? 131 GLU   C HA   1 c 
ATOM   5654 H HB2  . GLU   C 1 119 ? 13.697 33.926  -31.562 1   11.953 ? 131 GLU   C HB2  1 c 
ATOM   5655 H HB3  . GLU   C 1 119 ? 14.628 34.234  -30.32  1   11.98  ? 131 GLU   C HB3  1 c 
ATOM   5656 H HG2  . GLU   C 1 119 ? 16.549 33.753  -31.612 1   11.966 ? 131 GLU   C HG2  1 c 
ATOM   5657 H HG3  . GLU   C 1 119 ? 15.624 33.391  -32.861 1   11.98  ? 131 GLU   C HG3  1 c 
ATOM   5658 N N    . ILE   C 1 120 ? 16.445 30.859  -30.628 1   12.608 ? 132 ILE   C N    1 ? 
ATOM   5659 C CA   . ILE   C 1 120 ? 17.625 30.249  -30.045 1   11.888 ? 132 ILE   C CA   1 ? 
ATOM   5660 C C    . ILE   C 1 120 ? 18.763 30.372  -31.061 1   12.111 ? 132 ILE   C C    1 ? 
ATOM   5661 O O    . ILE   C 1 120 ? 18.588 29.974  -32.207 1   12.564 ? 132 ILE   C O    1 ? 
ATOM   5662 C CB   . ILE   C 1 120 ? 17.379 28.772  -29.677 1   12.066 ? 132 ILE   C CB   1 ? 
ATOM   5663 C CG1  . ILE   C 1 120 ? 16.171 28.574  -28.785 1   12.239 ? 132 ILE   C CG1  1 ? 
ATOM   5664 C CG2  . ILE   C 1 120 ? 18.645 28.16   -29.088 1   13.205 ? 132 ILE   C CG2  1 ? 
ATOM   5665 C CD1  . ILE   C 1 120 ? 15.839 27.109  -28.534 1   12.259 ? 132 ILE   C CD1  1 ? 
ATOM   5666 H H    . ILE   C 1 120 ? 16.205 30.616  -31.476 1   12.503 ? 132 ILE   C H    1 c 
ATOM   5667 H HA   . ILE   C 1 120 ? 17.867 30.737  -29.235 1   12.118 ? 132 ILE   C HA   1 c 
ATOM   5668 H HB   . ILE   C 1 120 ? 17.194 28.299  -30.513 1   12.202 ? 132 ILE   C HB   1 c 
ATOM   5669 H HG12 . ILE   C 1 120 ? 16.337 29.013  -27.926 1   12.257 ? 132 ILE   C HG12 1 c 
ATOM   5670 H HG13 . ILE   C 1 120 ? 15.396 29.005  -29.199 1   12.233 ? 132 ILE   C HG13 1 c 
ATOM   5671 H HG21 . ILE   C 1 120 ? 18.488 27.227  -28.869 1   12.977 ? 132 ILE   C HG21 1 c 
ATOM   5672 H HG22 . ILE   C 1 120 ? 18.895 28.642  -28.282 1   12.99  ? 132 ILE   C HG22 1 c 
ATOM   5673 H HG23 . ILE   C 1 120 ? 19.369 28.218  -29.734 1   12.99  ? 132 ILE   C HG23 1 c 
ATOM   5674 H HD11 . ILE   C 1 120 ? 15.685 26.658  -29.386 1   12.262 ? 132 ILE   C HD11 1 c 
ATOM   5675 H HD12 . ILE   C 1 120 ? 15.032 27.051  -27.988 1   12.232 ? 132 ILE   C HD12 1 c 
ATOM   5676 H HD13 . ILE   C 1 120 ? 16.575 26.672  -28.066 1   12.353 ? 132 ILE   C HD13 1 c 
ATOM   5677 N N    . GLU   C 1 121 ? 19.922 30.81   -30.589 1   13.341 ? 133 GLU   C N    1 ? 
ATOM   5678 C CA   . GLU   C 1 121 ? 21.172 30.766  -31.329 1   13.495 ? 133 GLU   C CA   1 ? 
ATOM   5679 C C    . GLU   C 1 121 ? 22.113 29.778  -30.655 1   12.577 ? 133 GLU   C C    1 ? 
ATOM   5680 O O    . GLU   C 1 121 ? 22.45  29.942  -29.481 1   13.216 ? 133 GLU   C O    1 ? 
ATOM   5681 C CB   . GLU   C 1 121 ? 21.812 32.151  -31.338 1   13.971 ? 133 GLU   C CB   1 ? 
ATOM   5682 C CG   . GLU   C 1 121 ? 23.146 32.141  -32.059 1   16.086 ? 133 GLU   C CG   1 ? 
ATOM   5683 C CD   . GLU   C 1 121 ? 23.839 33.471  -32.23  1   19.498 ? 133 GLU   C CD   1 ? 
ATOM   5684 O OE1  . GLU   C 1 121 ? 23.446 34.466  -31.612 1   23.995 ? 133 GLU   C OE1  1 ? 
ATOM   5685 O OE2  . GLU   C 1 121 ? 24.82  33.482  -33.006 1   22.226 ? 133 GLU   C OE2  1 ? 
ATOM   5686 H H    . GLU   C 1 121 ? 19.939 31.164  -29.746 1   13.104 ? 133 GLU   C H    1 c 
ATOM   5687 H HA   . GLU   C 1 121 ? 20.989 30.474  -32.256 1   13.341 ? 133 GLU   C HA   1 c 
ATOM   5688 H HB2  . GLU   C 1 121 ? 21.204 32.783  -31.775 1   14.103 ? 133 GLU   C HB2  1 c 
ATOM   5689 H HB3  . GLU   C 1 121 ? 21.942 32.45   -30.414 1   14.186 ? 133 GLU   C HB3  1 c 
ATOM   5690 H HG2  . GLU   C 1 121 ? 23.758 31.546  -31.576 1   16.02  ? 133 GLU   C HG2  1 c 
ATOM   5691 H HG3  . GLU   C 1 121 ? 23.015 31.753  -32.95  1   16.107 ? 133 GLU   C HG3  1 c 
ATOM   5692 N N    . LEU   C 1 122 ? 22.494 28.726  -31.374 1   12.753 ? 134 LEU   C N    1 ? 
ATOM   5693 C CA   . LEU   C 1 122 ? 23.439 27.756  -30.864 1   13.43  ? 134 LEU   C CA   1 ? 
ATOM   5694 C C    . LEU   C 1 122 ? 24.859 28.289  -31.039 1   14.29  ? 134 LEU   C C    1 ? 
ATOM   5695 O O    . LEU   C 1 122 ? 25.327 28.404  -32.162 1   17.521 ? 134 LEU   C O    1 ? 
ATOM   5696 C CB   . LEU   C 1 122 ? 23.289 26.396  -31.547 1   14.532 ? 134 LEU   C CB   1 ? 
ATOM   5697 C CG   . LEU   C 1 122 ? 24.219 25.3    -31.028 1   16.831 ? 134 LEU   C CG   1 ? 
ATOM   5698 C CD1  . LEU   C 1 122 ? 24.08  25.116  -29.533 1   15.791 ? 134 LEU   C CD1  1 ? 
ATOM   5699 C CD2  . LEU   C 1 122 ? 23.918 23.98   -31.734 1   18.223 ? 134 LEU   C CD2  1 ? 
ATOM   5700 H H    . LEU   C 1 122 ? 22.152 28.608  -32.214 1   12.887 ? 134 LEU   C H    1 c 
ATOM   5701 H HA   . LEU   C 1 122 ? 23.265 27.647  -29.897 1   13.568 ? 134 LEU   C HA   1 c 
ATOM   5702 H HB2  . LEU   C 1 122 ? 22.358 26.095  -31.433 1   14.589 ? 134 LEU   C HB2  1 c 
ATOM   5703 H HB3  . LEU   C 1 122 ? 23.452 26.514  -32.511 1   14.652 ? 134 LEU   C HB3  1 c 
ATOM   5704 H HG   . LEU   C 1 122 ? 25.155 25.557  -31.23  1   16.588 ? 134 LEU   C HG   1 c 
ATOM   5705 H HD11 . LEU   C 1 122 ? 24.34  25.933  -29.076 1   15.953 ? 134 LEU   C HD11 1 c 
ATOM   5706 H HD12 . LEU   C 1 122 ? 24.656 24.389  -29.244 1   16.002 ? 134 LEU   C HD12 1 c 
ATOM   5707 H HD13 . LEU   C 1 122 ? 23.157 24.902  -29.315 1   15.921 ? 134 LEU   C HD13 1 c 
ATOM   5708 H HD21 . LEU   C 1 122 ? 24.047 24.085  -32.689 1   18.033 ? 134 LEU   C HD21 1 c 
ATOM   5709 H HD22 . LEU   C 1 122 ? 22.998 23.72   -31.559 1   17.908 ? 134 LEU   C HD22 1 c 
ATOM   5710 H HD23 . LEU   C 1 122 ? 24.517 23.29   -31.401 1   17.9   ? 134 LEU   C HD23 1 c 
ATOM   5711 N N    . LEU   C 1 123 ? 25.526 28.63   -29.941 1   14.025 ? 135 LEU   C N    1 ? 
ATOM   5712 C CA   . LEU   C 1 123 ? 26.842 29.248  -30.03  1   14.516 ? 135 LEU   C CA   1 ? 
ATOM   5713 C C    . LEU   C 1 123 ? 27.922 28.186  -30.137 1   16.059 ? 135 LEU   C C    1 ? 
ATOM   5714 O O    . LEU   C 1 123 ? 28.882 28.353  -30.913 1   18.844 ? 135 LEU   C O    1 ? 
ATOM   5715 C CB   . LEU   C 1 123 ? 27.148 30.137  -28.826 1   16.211 ? 135 LEU   C CB   1 ? 
ATOM   5716 C CG   . LEU   C 1 123 ? 26.124 31.24   -28.586 1   17.882 ? 135 LEU   C CG   1 ? 
ATOM   5717 C CD1  . LEU   C 1 123 ? 26.287 31.843  -27.208 1   18.452 ? 135 LEU   C CD1  1 ? 
ATOM   5718 C CD2  . LEU   C 1 123 ? 26.237 32.282  -29.701 1   19.24  ? 135 LEU   C CD2  1 ? 
ATOM   5719 H H    . LEU   C 1 123 ? 25.16  28.477  -29.118 1   14.014 ? 135 LEU   C H    1 c 
ATOM   5720 H HA   . LEU   C 1 123 ? 26.87  29.8    -30.852 1   14.877 ? 135 LEU   C HA   1 c 
ATOM   5721 H HB2  . LEU   C 1 123 ? 27.193 29.57   -28.023 1   16.16  ? 135 LEU   C HB2  1 c 
ATOM   5722 H HB3  . LEU   C 1 123 ? 28.031 30.552  -28.962 1   16.109 ? 135 LEU   C HB3  1 c 
ATOM   5723 H HG   . LEU   C 1 123 ? 25.219 30.837  -28.636 1   17.95  ? 135 LEU   C HG   1 c 
ATOM   5724 H HD11 . LEU   C 1 123 ? 26.174 31.151  -26.535 1   18.393 ? 135 LEU   C HD11 1 c 
ATOM   5725 H HD12 . LEU   C 1 123 ? 25.617 32.534  -27.075 1   18.354 ? 135 LEU   C HD12 1 c 
ATOM   5726 H HD13 . LEU   C 1 123 ? 27.173 32.232  -27.126 1   18.417 ? 135 LEU   C HD13 1 c 
ATOM   5727 H HD21 . LEU   C 1 123 ? 26.043 31.867  -30.557 1   18.925 ? 135 LEU   C HD21 1 c 
ATOM   5728 H HD22 . LEU   C 1 123 ? 27.138 32.646  -29.715 1   18.909 ? 135 LEU   C HD22 1 c 
ATOM   5729 H HD23 . LEU   C 1 123 ? 25.601 33      -29.54  1   19.075 ? 135 LEU   C HD23 1 c 
ATOM   5730 N N    . ASP   C 1 124 ? 27.785 27.13   -29.33  1   15.43  ? 136 ASP   C N    1 ? 
ATOM   5731 C CA   . ASP   C 1 124 ? 28.823 26.126  -29.271 1   16.954 ? 136 ASP   C CA   1 ? 
ATOM   5732 C C    . ASP   C 1 124 ? 28.278 24.929  -28.503 1   14.94  ? 136 ASP   C C    1 ? 
ATOM   5733 O O    . ASP   C 1 124 ? 27.247 25.009  -27.821 1   15.186 ? 136 ASP   C O    1 ? 
ATOM   5734 C CB   . ASP   C 1 124 ? 30.085 26.622  -28.584 1   19.023 ? 136 ASP   C CB   1 ? 
ATOM   5735 C CG   . ASP   C 1 124 ? 31.383 25.922  -28.987 1   22.712 ? 136 ASP   C CG   1 ? 
ATOM   5736 O OD1  . ASP   C 1 124 ? 31.358 25.018  -29.86  1   22.607 ? 136 ASP   C OD1  1 ? 
ATOM   5737 O OD2  . ASP   C 1 124 ? 32.429 26.309  -28.423 1   25.724 ? 136 ASP   C OD2  1 ? 
ATOM   5738 H H    . ASP   C 1 124 ? 27.041 27.039  -28.808 1   15.7   ? 136 ASP   C H    1 c 
ATOM   5739 H HA   . ASP   C 1 124 ? 29.04  25.847  -30.188 1   16.722 ? 136 ASP   C HA   1 c 
ATOM   5740 H HB2  . ASP   C 1 124 ? 30.194 27.578  -28.766 1   19.132 ? 136 ASP   C HB2  1 c 
ATOM   5741 H HB3  . ASP   C 1 124 ? 29.977 26.518  -27.615 1   19.04  ? 136 ASP   C HB3  1 c 
ATOM   5742 N N    . PHE   C 1 125 ? 28.991 23.827  -28.626 1   15.399 ? 137 PHE   C N    1 ? 
ATOM   5743 C CA   . PHE   C 1 125 ? 28.737 22.647  -27.834 1   15.822 ? 137 PHE   C CA   1 ? 
ATOM   5744 C C    . PHE   C 1 125 ? 30.027 21.844  -27.753 1   17.229 ? 137 PHE   C C    1 ? 
ATOM   5745 O O    . PHE   C 1 125 ? 30.845 21.78   -28.699 1   18.636 ? 137 PHE   C O    1 ? 
ATOM   5746 C CB   . PHE   C 1 125 ? 27.577 21.818  -28.361 1   17.59  ? 137 PHE   C CB   1 ? 
ATOM   5747 C CG   . PHE   C 1 125 ? 27.712 21.316  -29.792 1   19.014 ? 137 PHE   C CG   1 ? 
ATOM   5748 C CD1  . PHE   C 1 125 ? 27.189 22.061  -30.848 1   21.569 ? 137 PHE   C CD1  1 ? 
ATOM   5749 C CD2  . PHE   C 1 125 ? 28.247 20.066  -30.061 1   20.732 ? 137 PHE   C CD2  1 ? 
ATOM   5750 C CE1  . PHE   C 1 125 ? 27.229 21.59   -32.151 1   21.865 ? 137 PHE   C CE1  1 ? 
ATOM   5751 C CE2  . PHE   C 1 125 ? 28.298 19.589  -31.374 1   23.697 ? 137 PHE   C CE2  1 ? 
ATOM   5752 C CZ   . PHE   C 1 125 ? 27.76  20.34   -32.41  1   23.661 ? 137 PHE   C CZ   1 ? 
ATOM   5753 H H    . PHE   C 1 125 ? 29.67  23.805  -29.237 1   15.489 ? 137 PHE   C H    1 c 
ATOM   5754 H HA   . PHE   C 1 125 ? 28.505 22.946  -26.918 1   16.144 ? 137 PHE   C HA   1 c 
ATOM   5755 H HB2  . PHE   C 1 125 ? 27.461 21.043  -27.768 1   17.497 ? 137 PHE   C HB2  1 c 
ATOM   5756 H HB3  . PHE   C 1 125 ? 26.759 22.36   -28.296 1   17.442 ? 137 PHE   C HB3  1 c 
ATOM   5757 H HD1  . PHE   C 1 125 ? 26.793 22.899  -30.669 1   21.076 ? 137 PHE   C HD1  1 c 
ATOM   5758 H HD2  . PHE   C 1 125 ? 28.584 19.539  -29.354 1   20.724 ? 137 PHE   C HD2  1 c 
ATOM   5759 H HE1  . PHE   C 1 125 ? 26.881 22.114  -32.855 1   22.053 ? 137 PHE   C HE1  1 c 
ATOM   5760 H HE2  . PHE   C 1 125 ? 28.679 18.744  -31.553 1   23.28  ? 137 PHE   C HE2  1 c 
ATOM   5761 H HZ   . PHE   C 1 125 ? 27.815 20.026  -33.298 1   23.392 ? 137 PHE   C HZ   1 c 
ATOM   5762 N N    . LYS   C 1 126 ? 30.203 21.232  -26.589 1   18.796 ? 138 LYS   C N    1 ? 
ATOM   5763 C CA   . LYS   C 1 126 ? 31.432 20.529  -26.281 1   21.533 ? 138 LYS   C CA   1 ? 
ATOM   5764 C C    . LYS   C 1 126 ? 31.042 19.229  -25.592 1   24.824 ? 138 LYS   C C    1 ? 
ATOM   5765 O O    . LYS   C 1 126 ? 30.101 19.184  -24.825 1   22.683 ? 138 LYS   C O    1 ? 
ATOM   5766 C CB   . LYS   C 1 126 ? 32.366 21.384  -25.411 1   23.685 ? 138 LYS   C CB   1 ? 
ATOM   5767 H H    . LYS   C 1 126 ? 29.536 21.25   -25.964 1   18.616 ? 138 LYS   C H    1 c 
ATOM   5768 H HA   . LYS   C 1 126 ? 31.894 20.31   -27.129 1   21.748 ? 138 LYS   C HA   1 c 
ATOM   5769 H HB2  . LYS   C 1 126 ? 33.302 21.155  -25.647 0   23.49  ? 138 LYS   C HB2  1 c 
ATOM   5770 H HB3  . LYS   C 1 126 ? 31.83  21.952  -24.839 0   23.49  ? 138 LYS   C HB3  1 c 
ATOM   5771 N N    . GLY   C 1 127 ? 31.785 18.156  -25.817 1   27.671 ? 139 GLY   C N    1 ? 
ATOM   5772 C CA   . GLY   C 1 127 ? 31.441 16.934  -25.112 1   29.819 ? 139 GLY   C CA   1 ? 
ATOM   5773 C C    . GLY   C 1 127 ? 31.811 17.032  -23.63  1   34.336 ? 139 GLY   C C    1 ? 
ATOM   5774 O O    . GLY   C 1 127 ? 32.62  17.871  -23.22  1   38.543 ? 139 GLY   C O    1 ? 
ATOM   5775 H H    . GLY   C 1 127 ? 32.493 18.175  -26.395 1   27.099 ? 139 GLY   C H    1 c 
ATOM   5776 H HA2  . GLY   C 1 127 ? 30.475 16.765  -25.203 1   30.066 ? 139 GLY   C HA2  1 c 
ATOM   5777 H HA3  . GLY   C 1 127 ? 31.922 16.181  -25.524 1   29.652 ? 139 GLY   C HA3  1 c 
ATOM   5778 N N    . GLU   C 1 128 ? 31.179 16.165  -22.833 1   37.422 ? 140 GLU   C N    1 ? 
ATOM   5779 C CA   . GLU   C 1 128 ? 31.353 16.167  -21.388 1   42.742 ? 140 GLU   C CA   1 ? 
ATOM   5780 C C    . GLU   C 1 128 ? 32.802 15.703  -21.083 1   47.447 ? 140 GLU   C C    1 ? 
ATOM   5781 O O    . GLU   C 1 128 ? 33.368 14.926  -21.898 1   48.564 ? 140 GLU   C O    1 ? 
ATOM   5782 C CB   . GLU   C 1 128 ? 30.183 15.413  -20.733 1   45.966 ? 140 GLU   C CB   1 ? 
ATOM   5783 O OXT  . GLU   C 1 128 ? 33.364 16.218  -20.102 1   54.807 ? 140 GLU   C OXT  1 ? 
ATOM   5784 H H    . GLU   C 1 128 ? 30.622 15.544  -23.207 1   37.61  ? 140 GLU   C H    1 c 
ATOM   5785 H HA   . GLU   C 1 128 ? 31.28  17.109  -21.086 1   42.991 ? 140 GLU   C HA   1 c 
ATOM   5786 H HB2  . GLU   C 1 128 ? 30.527 14.771  -20.113 0   45.81  ? 140 GLU   C HB2  1 c 
ATOM   5787 H HB3  . GLU   C 1 128 ? 29.34  15.827  -21.075 0   45.81  ? 140 GLU   C HB3  1 c 
HETATM 5788 C C4   . A1INZ D 2 .   ? 13.983 7.489   13.104  1   14.79  ? 201 A1INZ A C4   1 ? 
HETATM 5789 C C14  . A1INZ D 2 .   ? 16.649 2.721   16.012  1   14.186 ? 201 A1INZ A C14  1 ? 
HETATM 5790 C C5   . A1INZ D 2 .   ? 13.215 6.674   13.914  1   15.423 ? 201 A1INZ A C5   1 ? 
HETATM 5791 C C6   . A1INZ D 2 .   ? 13.345 6.738   15.298  1   16.212 ? 201 A1INZ A C6   1 ? 
HETATM 5792 C C11  . A1INZ D 2 .   ? 12.262 3.901   18.117  1   20.13  ? 201 A1INZ A C11  1 ? 
HETATM 5793 C C7   . A1INZ D 2 .   ? 14.342 7.54    15.876  1   18.023 ? 201 A1INZ A C7   1 ? 
HETATM 5794 C C8   . A1INZ D 2 .   ? 13.623 8.27    17.979  1   24.004 ? 201 A1INZ A C8   1 ? 
HETATM 5795 C C9   . A1INZ D 2 .   ? 11.88  4.862   15.814  1   17.513 ? 201 A1INZ A C9   1 ? 
HETATM 5796 C C10  . A1INZ D 2 .   ? 11.239 4.288   17.064  1   19.722 ? 201 A1INZ A C10  1 ? 
HETATM 5797 C C12  . A1INZ D 2 .   ? 14.609 3.774   17.206  1   17.19  ? 201 A1INZ A C12  1 ? 
HETATM 5798 C C13  . A1INZ D 2 .   ? 15.296 2.743   16.63   1   15.169 ? 201 A1INZ A C13  1 ? 
HETATM 5799 N N1   . A1INZ D 2 .   ? 13.421 3.25    17.518  1   18.401 ? 201 A1INZ A N1   1 ? 
HETATM 5800 N N2   . A1INZ D 2 .   ? 14.507 1.626   16.696  1   17.645 ? 201 A1INZ A N2   1 ? 
HETATM 5801 C C3   . A1INZ D 2 .   ? 14.943 8.326   13.686  1   15.88  ? 201 A1INZ A C3   1 ? 
HETATM 5802 N N3   . A1INZ D 2 .   ? 13.366 1.94    17.244  1   18.085 ? 201 A1INZ A N3   1 ? 
HETATM 5803 C C1   . A1INZ D 2 .   ? 16.696 10.075  14.91   1   23.401 ? 201 A1INZ A C1   1 ? 
HETATM 5804 O O1   . A1INZ D 2 .   ? 16.031 9.104   15.73   1   21.679 ? 201 A1INZ A O1   1 ? 
HETATM 5805 C C2   . A1INZ D 2 .   ? 15.144 8.326   15.062  1   17.464 ? 201 A1INZ A C2   1 ? 
HETATM 5806 O O2   . A1INZ D 2 .   ? 14.562 7.523   17.239  1   21.18  ? 201 A1INZ A O2   1 ? 
HETATM 5807 O O3   . A1INZ D 2 .   ? 12.63  6.014   16.231  1   16.579 ? 201 A1INZ A O3   1 ? 
HETATM 5808 C C15  . A1INZ D 2 .   ? 16.692 3.509   14.7    1   11.726 ? 201 A1INZ A C15  1 ? 
HETATM 5809 C C16  . A1INZ D 2 .   ? 18.096 3.639   14.185  1   12.616 ? 201 A1INZ A C16  1 ? 
HETATM 5810 C C17  . A1INZ D 2 .   ? 15.789 2.864   13.66   1   12.119 ? 201 A1INZ A C17  1 ? 
HETATM 5811 O O4   . A1INZ D 2 .   ? 15.596 3.752   12.554  1   12.134 ? 201 A1INZ A O4   1 ? 
HETATM 5812 C C18  . A1INZ D 2 .   ? 15.428 3.146   11.354  1   11.601 ? 201 A1INZ A C18  1 ? 
HETATM 5813 O O5   . A1INZ D 2 .   ? 15.368 1.961   11.203  1   11.686 ? 201 A1INZ A O5   1 ? 
HETATM 5814 C C19  . A1INZ D 2 .   ? 15.201 4.136   10.228  1   11.097 ? 201 A1INZ A C19  1 ? 
HETATM 5815 C C20  . A1INZ D 2 .   ? 16.322 3.952   9.244   1   12.105 ? 201 A1INZ A C20  1 ? 
HETATM 5816 C C21  . A1INZ D 2 .   ? 17.66  4.474   9.786   1   13.062 ? 201 A1INZ A C21  1 ? 
HETATM 5817 C C22  . A1INZ D 2 .   ? 17.544 5.976   10.046  1   12.26  ? 201 A1INZ A C22  1 ? 
HETATM 5818 C C23  . A1INZ D 2 .   ? 16.374 6.246   11.021  1   11.901 ? 201 A1INZ A C23  1 ? 
HETATM 5819 N N4   . A1INZ D 2 .   ? 15.131 5.532   10.688  1   11.813 ? 201 A1INZ A N4   1 ? 
HETATM 5820 C C24  . A1INZ D 2 .   ? 13.923 6.007   11.053  1   12.537 ? 201 A1INZ A C24  1 ? 
HETATM 5821 O O6   . A1INZ D 2 .   ? 12.968 5.263   10.971  1   14.147 ? 201 A1INZ A O6   1 ? 
HETATM 5822 C C25  . A1INZ D 2 .   ? 13.782 7.454   11.587  1   12.732 ? 201 A1INZ A C25  1 ? 
HETATM 5823 C C26  . A1INZ D 2 .   ? 12.415 8.041   11.182  1   12.78  ? 201 A1INZ A C26  1 ? 
HETATM 5824 C C27  . A1INZ D 2 .   ? 12.338 8.275   9.681   1   12.323 ? 201 A1INZ A C27  1 ? 
HETATM 5825 C C28  . A1INZ D 2 .   ? 10.969 8.867   9.306   1   13.165 ? 201 A1INZ A C28  1 ? 
HETATM 5826 C C29  . A1INZ D 2 .   ? 10.71  10.178  10.039  1   14.384 ? 201 A1INZ A C29  1 ? 
HETATM 5827 C C30  . A1INZ D 2 .   ? 10.774 9.992   11.544  1   15.896 ? 201 A1INZ A C30  1 ? 
HETATM 5828 C C31  . A1INZ D 2 .   ? 12.101 9.347   11.934  1   14.528 ? 201 A1INZ A C31  1 ? 
HETATM 5829 H H17  . A1INZ D 2 .   ? 17.299 3.107   16.637  1   13.873 ? 201 A1INZ A H17  1 c 
HETATM 5830 H H16  . A1INZ D 2 .   ? 16.91  1.792   15.834  1   13.919 ? 201 A1INZ A H16  1 c 
HETATM 5831 H H5   . A1INZ D 2 .   ? 12.54  6.136   13.527  1   15.42  ? 201 A1INZ A H5   1 c 
HETATM 5832 H H13  . A1INZ D 2 .   ? 11.85  3.293   18.764  1   20.002 ? 201 A1INZ A H13  1 c 
HETATM 5833 H H14  . A1INZ D 2 .   ? 12.557 4.704   18.595  1   19.861 ? 201 A1INZ A H14  1 c 
HETATM 5834 H H7   . A1INZ D 2 .   ? 13.855 8.237   18.922  1   23.693 ? 201 A1INZ A H7   1 c 
HETATM 5835 H H8   . A1INZ D 2 .   ? 12.736 7.896   17.852  1   23.466 ? 201 A1INZ A H8   1 c 
HETATM 5836 H H6   . A1INZ D 2 .   ? 13.632 9.192   17.676  1   23.616 ? 201 A1INZ A H6   1 c 
HETATM 5837 H H9   . A1INZ D 2 .   ? 12.472 4.199   15.395  1   17.705 ? 201 A1INZ A H9   1 c 
HETATM 5838 H H10  . A1INZ D 2 .   ? 11.188 5.122   15.166  1   17.614 ? 201 A1INZ A H10  1 c 
HETATM 5839 H H11  . A1INZ D 2 .   ? 10.715 3.496   16.82   1   19.516 ? 201 A1INZ A H11  1 c 
HETATM 5840 H H12  . A1INZ D 2 .   ? 10.623 4.95    17.444  1   19.635 ? 201 A1INZ A H12  1 c 
HETATM 5841 H H15  . A1INZ D 2 .   ? 14.873 4.677   17.267  1   16.939 ? 201 A1INZ A H15  1 c 
HETATM 5842 H H4   . A1INZ D 2 .   ? 15.488 8.857   13.129  1   16.149 ? 201 A1INZ A H4   1 c 
HETATM 5843 H H2   . A1INZ D 2 .   ? 17.299 10.601  15.46   1   23.095 ? 201 A1INZ A H2   1 c 
HETATM 5844 H H3   . A1INZ D 2 .   ? 16.038 10.662  14.503  1   23.184 ? 201 A1INZ A H3   1 c 
HETATM 5845 H H1   . A1INZ D 2 .   ? 17.205 9.624   14.217  1   23.048 ? 201 A1INZ A H1   1 c 
HETATM 5846 H H18  . A1INZ D 2 .   ? 16.345 4.418   14.877  1   12.286 ? 201 A1INZ A H18  1 c 
HETATM 5847 H H20  . A1INZ D 2 .   ? 18.46  2.755   14.008  1   12.576 ? 201 A1INZ A H20  1 c 
HETATM 5848 H H21  . A1INZ D 2 .   ? 18.645 4.088   14.849  1   12.393 ? 201 A1INZ A H21  1 c 
HETATM 5849 H H19  . A1INZ D 2 .   ? 18.094 4.158   13.363  1   12.596 ? 201 A1INZ A H19  1 c 
HETATM 5850 H H23  . A1INZ D 2 .   ? 16.197 2.029   13.351  1   12.172 ? 201 A1INZ A H23  1 c 
HETATM 5851 H H22  . A1INZ D 2 .   ? 14.922 2.651   14.063  1   12.07  ? 201 A1INZ A H22  1 c 
HETATM 5852 H H24  . A1INZ D 2 .   ? 14.342 3.912   9.781   1   11.416 ? 201 A1INZ A H24  1 c 
HETATM 5853 H H26  . A1INZ D 2 .   ? 16.412 2.993   9.025   1   12.205 ? 201 A1INZ A H26  1 c 
HETATM 5854 H H25  . A1INZ D 2 .   ? 16.101 4.433   8.411   1   12.269 ? 201 A1INZ A H25  1 c 
HETATM 5855 H H27  . A1INZ D 2 .   ? 18.375 4.305   9.13    1   13.02  ? 201 A1INZ A H27  1 c 
HETATM 5856 H H28  . A1INZ D 2 .   ? 17.892 4.007   10.621  1   12.84  ? 201 A1INZ A H28  1 c 
HETATM 5857 H H29  . A1INZ D 2 .   ? 17.384 6.447   9.201   1   12.436 ? 201 A1INZ A H29  1 c 
HETATM 5858 H H30  . A1INZ D 2 .   ? 18.38  6.311   10.434  1   12.357 ? 201 A1INZ A H30  1 c 
HETATM 5859 H H31  . A1INZ D 2 .   ? 16.196 7.213   11.031  1   11.971 ? 201 A1INZ A H31  1 c 
HETATM 5860 H H32  . A1INZ D 2 .   ? 16.653 5.987   11.928  1   12.04  ? 201 A1INZ A H32  1 c 
HETATM 5861 H H33  . A1INZ D 2 .   ? 14.496 8.007   11.179  1   13.078 ? 201 A1INZ A H33  1 c 
HETATM 5862 H H34  . A1INZ D 2 .   ? 11.714 7.38    11.422  1   12.923 ? 201 A1INZ A H34  1 c 
HETATM 5863 H H36  . A1INZ D 2 .   ? 13.048 8.891   9.408   1   12.684 ? 201 A1INZ A H36  1 c 
HETATM 5864 H H35  . A1INZ D 2 .   ? 12.468 7.429   9.208   1   12.654 ? 201 A1INZ A H35  1 c 
HETATM 5865 H H37  . A1INZ D 2 .   ? 10.263 8.223   9.532   1   13.341 ? 201 A1INZ A H37  1 c 
HETATM 5866 H H38  . A1INZ D 2 .   ? 10.938 9.025   8.336   1   13.391 ? 201 A1INZ A H38  1 c 
HETATM 5867 H H39  . A1INZ D 2 .   ? 9.824  10.52   9.791   1   14.383 ? 201 A1INZ A H39  1 c 
HETATM 5868 H H40  . A1INZ D 2 .   ? 11.38  10.842  9.765   1   14.496 ? 201 A1INZ A H40  1 c 
HETATM 5869 H H41  . A1INZ D 2 .   ? 10.03  9.421   11.838  1   15.536 ? 201 A1INZ A H41  1 c 
HETATM 5870 H H42  . A1INZ D 2 .   ? 10.688 10.864  11.989  1   15.44  ? 201 A1INZ A H42  1 c 
HETATM 5871 H H44  . A1INZ D 2 .   ? 12.823 9.987   11.767  1   14.516 ? 201 A1INZ A H44  1 c 
HETATM 5872 H H43  . A1INZ D 2 .   ? 12.087 9.163   12.895  1   14.472 ? 201 A1INZ A H43  1 c 
HETATM 5873 C C1   . EDO   E 3 .   ? 14.97  -1.19   14.896  1   28.826 ? 202 EDO   A C1   1 ? 
HETATM 5874 O O1   . EDO   E 3 .   ? 14.189 -0.946  16.065  1   27.56  ? 202 EDO   A O1   1 ? 
HETATM 5875 C C2   . EDO   E 3 .   ? 14.245 -1.766  13.768  1   29.185 ? 202 EDO   A C2   1 ? 
HETATM 5876 O O2   . EDO   E 3 .   ? 12.924 -2.181  14.018  1   31.762 ? 202 EDO   A O2   1 ? 
HETATM 5877 H H11  . EDO   E 3 .   ? 15.706 -1.793  15.131  1   28.68  ? 202 EDO   A H11  1 c 
HETATM 5878 H H12  . EDO   E 3 .   ? 15.365 -0.341  14.605  1   28.788 ? 202 EDO   A H12  1 c 
HETATM 5879 H HO1  . EDO   E 3 .   ? 14.717 -0.655  16.638  0   26.3   ? 202 EDO   A HO1  1 c 
HETATM 5880 H H21  . EDO   E 3 .   ? 14.753 -2.537  13.44   1   29.735 ? 202 EDO   A H21  1 c 
HETATM 5881 H H22  . EDO   E 3 .   ? 14.225 -1.101  13.048  1   29.364 ? 202 EDO   A H22  1 c 
HETATM 5882 H HO2  . EDO   E 3 .   ? 12.582 -2.437  13.291  0   28.92  ? 202 EDO   A HO2  1 c 
HETATM 5883 C C4   . A1INZ F 2 .   ? 26.142 5.921   -43.872 1   16.088 ? 201 A1INZ B C4   1 ? 
HETATM 5884 C C14  . A1INZ F 2 .   ? 23.564 1.263   -46.857 1   17.867 ? 201 A1INZ B C14  1 ? 
HETATM 5885 C C5   . A1INZ F 2 .   ? 26.965 5.167   -44.696 1   17.267 ? 201 A1INZ B C5   1 ? 
HETATM 5886 C C6   . A1INZ F 2 .   ? 26.785 5.188   -46.073 1   19.089 ? 201 A1INZ B C6   1 ? 
HETATM 5887 C C11  . A1INZ F 2 .   ? 28.005 2.466   -48.817 1   17.997 ? 201 A1INZ B C11  1 ? 
HETATM 5888 C C7   . A1INZ F 2 .   ? 25.694 5.863   -46.638 1   21.525 ? 201 A1INZ B C7   1 ? 
HETATM 5889 C C8   . A1INZ F 2 .   ? 26.28  6.705   -48.734 1   25.074 ? 201 A1INZ B C8   1 ? 
HETATM 5890 C C9   . A1INZ F 2 .   ? 28.394 3.414   -46.483 1   17.153 ? 201 A1INZ B C9   1 ? 
HETATM 5891 C C10  . A1INZ F 2 .   ? 29     2.729   -47.7   1   17.135 ? 201 A1INZ B C10  1 ? 
HETATM 5892 C C12  . A1INZ F 2 .   ? 25.665 2.322   -47.924 1   17.234 ? 201 A1INZ B C12  1 ? 
HETATM 5893 C C13  . A1INZ F 2 .   ? 24.94  1.271   -47.448 1   17.539 ? 201 A1INZ B C13  1 ? 
HETATM 5894 N N1   . A1INZ F 2 .   ? 26.83  1.796   -48.309 1   17.269 ? 201 A1INZ B N1   1 ? 
HETATM 5895 N N2   . A1INZ F 2 .   ? 25.722 0.156   -47.515 1   20.017 ? 201 A1INZ B N2   1 ? 
HETATM 5896 C C3   . A1INZ F 2 .   ? 25.044 6.589   -44.427 1   20.398 ? 201 A1INZ B C3   1 ? 
HETATM 5897 N N3   . A1INZ F 2 .   ? 26.877 0.486   -48.05  1   20.282 ? 201 A1INZ B N3   1 ? 
HETATM 5898 C C1   . A1INZ F 2 .   ? 22.492 6.97    -45.888 1   34.066 ? 201 A1INZ B C1   1 ? 
HETATM 5899 O O1   . A1INZ F 2 .   ? 23.8   7.214   -46.444 1   29.353 ? 201 A1INZ B O1   1 ? 
HETATM 5900 C C2   . A1INZ F 2 .   ? 24.862 6.622   -45.812 1   23.307 ? 201 A1INZ B C2   1 ? 
HETATM 5901 O O2   . A1INZ F 2 .   ? 25.464 5.841   -48.009 1   22.384 ? 201 A1INZ B O2   1 ? 
HETATM 5902 O O3   . A1INZ F 2 .   ? 27.64  4.542   -46.946 1   19.523 ? 201 A1INZ B O3   1 ? 
HETATM 5903 C C15  . A1INZ F 2 .   ? 23.488 1.974   -45.487 1   17.111 ? 201 A1INZ B C15  1 ? 
HETATM 5904 C C16  . A1INZ F 2 .   ? 22.078 1.959   -44.92  1   18.707 ? 201 A1INZ B C16  1 ? 
HETATM 5905 C C17  . A1INZ F 2 .   ? 24.543 1.419   -44.513 1   17.868 ? 201 A1INZ B C17  1 ? 
HETATM 5906 O O4   . A1INZ F 2 .   ? 24.626 2.263   -43.33  1   16.003 ? 201 A1INZ B O4   1 ? 
HETATM 5907 C C18  . A1INZ F 2 .   ? 24.794 1.612   -42.174 1   13.41  ? 201 A1INZ B C18  1 ? 
HETATM 5908 O O5   . A1INZ F 2 .   ? 24.807 0.408   -42.075 1   14.917 ? 201 A1INZ B O5   1 ? 
HETATM 5909 C C19  . A1INZ F 2 .   ? 24.959 2.564   -40.98  1   12.326 ? 201 A1INZ B C19  1 ? 
HETATM 5910 C C20  . A1INZ F 2 .   ? 23.846 2.381   -39.954 1   12.688 ? 201 A1INZ B C20  1 ? 
HETATM 5911 C C21  . A1INZ F 2 .   ? 22.549 2.859   -40.541 1   13.394 ? 201 A1INZ B C21  1 ? 
HETATM 5912 C C22  . A1INZ F 2 .   ? 22.613 4.342   -40.825 1   13.28  ? 201 A1INZ B C22  1 ? 
HETATM 5913 C C23  . A1INZ F 2 .   ? 23.742 4.655   -41.754 1   12.609 ? 201 A1INZ B C23  1 ? 
HETATM 5914 N N4   . A1INZ F 2 .   ? 25.032 3.957   -41.457 1   14.168 ? 201 A1INZ B N4   1 ? 
HETATM 5915 C C24  . A1INZ F 2 .   ? 26.207 4.481   -41.817 1   14.267 ? 201 A1INZ B C24  1 ? 
HETATM 5916 O O6   . A1INZ F 2 .   ? 27.211 3.757   -41.765 1   13.902 ? 201 A1INZ B O6   1 ? 
HETATM 5917 C C25  . A1INZ F 2 .   ? 26.335 5.909   -42.361 1   16.125 ? 201 A1INZ B C25  1 ? 
HETATM 5918 C C26  . A1INZ F 2 .   ? 27.713 6.497   -41.999 1   15.667 ? 201 A1INZ B C26  1 ? 
HETATM 5919 C C27  . A1INZ F 2 .   ? 27.816 6.682   -40.486 1   16.796 ? 201 A1INZ B C27  1 ? 
HETATM 5920 C C28  . A1INZ F 2 .   ? 29.114 7.36    -40.105 1   17.247 ? 201 A1INZ B C28  1 ? 
HETATM 5921 C C29  . A1INZ F 2 .   ? 29.267 8.733   -40.741 1   18.034 ? 201 A1INZ B C29  1 ? 
HETATM 5922 C C30  . A1INZ F 2 .   ? 29.208 8.549   -42.234 1   19.537 ? 201 A1INZ B C30  1 ? 
HETATM 5923 C C31  . A1INZ F 2 .   ? 27.961 7.831   -42.705 1   16.9   ? 201 A1INZ B C31  1 ? 
HETATM 5924 H H17  . A1INZ F 2 .   ? 22.945 1.706   -47.476 1   18.082 ? 201 A1INZ B H17  1 c 
HETATM 5925 H H16  . A1INZ F 2 .   ? 23.268 0.333   -46.746 1   18.049 ? 201 A1INZ B H16  1 c 
HETATM 5926 H H5   . A1INZ F 2 .   ? 27.711 4.722   -44.322 1   17.618 ? 201 A1INZ B H5   1 c 
HETATM 5927 H H13  . A1INZ F 2 .   ? 28.424 1.907   -49.503 1   17.977 ? 201 A1INZ B H13  1 c 
HETATM 5928 H H14  . A1INZ F 2 .   ? 27.742 3.314   -49.229 1   17.966 ? 201 A1INZ B H14  1 c 
HETATM 5929 H H7   . A1INZ F 2 .   ? 26.065 6.635   -49.678 1   24.751 ? 201 A1INZ B H7   1 c 
HETATM 5930 H H8   . A1INZ F 2 .   ? 27.211 6.467   -48.596 1   24.745 ? 201 A1INZ B H8   1 c 
HETATM 5931 H H6   . A1INZ F 2 .   ? 26.13  7.617   -48.436 1   24.758 ? 201 A1INZ B H6   1 c 
HETATM 5932 H H9   . A1INZ F 2 .   ? 27.809 2.79    -46     1   17.622 ? 201 A1INZ B H9   1 c 
HETATM 5933 H H10  . A1INZ F 2 .   ? 29.106 3.71    -45.874 1   17.55  ? 201 A1INZ B H10  1 c 
HETATM 5934 H H11  . A1INZ F 2 .   ? 29.393 1.875   -47.42  1   17.583 ? 201 A1INZ B H11  1 c 
HETATM 5935 H H12  . A1INZ F 2 .   ? 29.726 3.289   -48.05  1   17.571 ? 201 A1INZ B H12  1 c 
HETATM 5936 H H15  . A1INZ F 2 .   ? 25.401 3.225   -47.975 1   17.519 ? 201 A1INZ B H15  1 c 
HETATM 5937 H H4   . A1INZ F 2 .   ? 24.451 7.059   -43.862 1   19.996 ? 201 A1INZ B H4   1 c 
HETATM 5938 H H2   . A1INZ F 2 .   ? 21.823 7.424   -46.426 1   33.784 ? 201 A1INZ B H2   1 c 
HETATM 5939 H H3   . A1INZ F 2 .   ? 22.457 7.306   -44.978 1   33.106 ? 201 A1INZ B H3   1 c 
HETATM 5940 H H1   . A1INZ F 2 .   ? 22.314 6.015   -45.889 1   33.226 ? 201 A1INZ B H1   1 c 
HETATM 5941 H H18  . A1INZ F 2 .   ? 23.718 2.923   -45.64  1   17.965 ? 201 A1INZ B H18  1 c 
HETATM 5942 H H20  . A1INZ F 2 .   ? 21.788 1.04    -44.795 1   18.784 ? 201 A1INZ B H20  1 c 
HETATM 5943 H H21  . A1INZ F 2 .   ? 21.476 2.408   -45.538 1   18.858 ? 201 A1INZ B H21  1 c 
HETATM 5944 H H19  . A1INZ F 2 .   ? 22.068 2.421   -44.065 1   18.765 ? 201 A1INZ B H19  1 c 
HETATM 5945 H H23  . A1INZ F 2 .   ? 24.298 0.505   -44.258 1   17.656 ? 201 A1INZ B H23  1 c 
HETATM 5946 H H22  . A1INZ F 2 .   ? 25.416 1.388   -44.955 1   18.149 ? 201 A1INZ B H22  1 c 
HETATM 5947 H H24  . A1INZ F 2 .   ? 25.825 2.352   -40.542 1   13.11  ? 201 A1INZ B H24  1 c 
HETATM 5948 H H26  . A1INZ F 2 .   ? 23.771 1.427   -39.707 1   12.956 ? 201 A1INZ B H26  1 c 
HETATM 5949 H H25  . A1INZ F 2 .   ? 24.056 2.898   -39.14  1   12.838 ? 201 A1INZ B H25  1 c 
HETATM 5950 H H27  . A1INZ F 2 .   ? 21.815 2.676   -39.91  1   13.315 ? 201 A1INZ B H27  1 c 
HETATM 5951 H H28  . A1INZ F 2 .   ? 22.36  2.37    -41.375 1   13.326 ? 201 A1INZ B H28  1 c 
HETATM 5952 H H29  . A1INZ F 2 .   ? 22.737 4.832   -39.984 1   13.448 ? 201 A1INZ B H29  1 c 
HETATM 5953 H H30  . A1INZ F 2 .   ? 21.768 4.636   -41.228 1   13.48  ? 201 A1INZ B H30  1 c 
HETATM 5954 H H31  . A1INZ F 2 .   ? 23.897 5.626   -41.73  1   13.121 ? 201 A1INZ B H31  1 c 
HETATM 5955 H H32  . A1INZ F 2 .   ? 23.467 4.424   -42.669 1   13.1   ? 201 A1INZ B H32  1 c 
HETATM 5956 H H33  . A1INZ F 2 .   ? 25.627 6.472   -41.955 1   16.162 ? 201 A1INZ B H33  1 c 
HETATM 5957 H H34  . A1INZ F 2 .   ? 28.417 5.858   -42.285 1   16.247 ? 201 A1INZ B H34  1 c 
HETATM 5958 H H36  . A1INZ F 2 .   ? 27.063 7.224   -40.173 1   16.964 ? 201 A1INZ B H36  1 c 
HETATM 5959 H H35  . A1INZ F 2 .   ? 27.766 5.81    -40.045 1   16.907 ? 201 A1INZ B H35  1 c 
HETATM 5960 H H37  . A1INZ F 2 .   ? 29.866 6.792   -40.383 1   17.466 ? 201 A1INZ B H37  1 c 
HETATM 5961 H H38  . A1INZ F 2 .   ? 29.153 7.453   -39.127 1   17.389 ? 201 A1INZ B H38  1 c 
HETATM 5962 H H39  . A1INZ F 2 .   ? 30.127 9.131   -40.483 1   18.139 ? 201 A1INZ B H39  1 c 
HETATM 5963 H H40  . A1INZ F 2 .   ? 28.543 9.326   -40.444 1   18.234 ? 201 A1INZ B H40  1 c 
HETATM 5964 H H41  . A1INZ F 2 .   ? 29.997 8.038   -42.524 1   19.115 ? 201 A1INZ B H41  1 c 
HETATM 5965 H H42  . A1INZ F 2 .   ? 29.249 9.431   -42.666 1   18.905 ? 201 A1INZ B H42  1 c 
HETATM 5966 H H44  . A1INZ F 2 .   ? 27.188 8.413   -42.561 1   17.123 ? 201 A1INZ B H44  1 c 
HETATM 5967 H H43  . A1INZ F 2 .   ? 28.037 7.672   -43.668 1   17.172 ? 201 A1INZ B H43  1 c 
HETATM 5968 C C1   . EDO   G 3 .   ? 26.348 -2.679  -44.65  1   30.924 ? 202 EDO   B C1   1 ? 
HETATM 5969 O O1   . EDO   G 3 .   ? 27.194 -3.687  -45.194 1   34.621 ? 202 EDO   B O1   1 ? 
HETATM 5970 C C2   . EDO   G 3 .   ? 25.07  -2.602  -45.347 1   30.172 ? 202 EDO   B C2   1 ? 
HETATM 5971 O O2   . EDO   G 3 .   ? 25.196 -2.484  -46.748 1   31.096 ? 202 EDO   B O2   1 ? 
HETATM 5972 H H11  . EDO   G 3 .   ? 26.8   -1.811  -44.719 1   31.226 ? 202 EDO   B H11  1 c 
HETATM 5973 H H12  . EDO   G 3 .   ? 26.187 -2.866  -43.702 1   31.456 ? 202 EDO   B H12  1 c 
HETATM 5974 H HO1  . EDO   G 3 .   ? 27.87  -3.671  -44.736 0   31.6   ? 202 EDO   B HO1  1 c 
HETATM 5975 H H21  . EDO   G 3 .   ? 24.577 -1.824  -45.009 1   30.717 ? 202 EDO   B H21  1 c 
HETATM 5976 H H22  . EDO   G 3 .   ? 24.547 -3.404  -45.139 1   30.396 ? 202 EDO   B H22  1 c 
HETATM 5977 H HO2  . EDO   G 3 .   ? 24.351 -2.453  -47.052 0   28.37  ? 202 EDO   B HO2  1 c 
HETATM 5978 C C4   . A1INZ H 2 .   ? 12.168 30.399  -18.025 1   13.295 ? 201 A1INZ C C4   1 ? 
HETATM 5979 C C14  . A1INZ H 2 .   ? 14.79  25.908  -14.976 1   13.775 ? 201 A1INZ C C14  1 ? 
HETATM 5980 C C5   . A1INZ H 2 .   ? 11.318 29.745  -17.137 1   13.447 ? 201 A1INZ C C5   1 ? 
HETATM 5981 C C6   . A1INZ H 2 .   ? 11.619 29.759  -15.763 1   13.43  ? 201 A1INZ C C6   1 ? 
HETATM 5982 C C11  . A1INZ H 2 .   ? 10.389 27.197  -12.907 1   14.182 ? 201 A1INZ C C11  1 ? 
HETATM 5983 C C7   . A1INZ H 2 .   ? 12.746 30.451  -15.285 1   15.044 ? 201 A1INZ C C7   1 ? 
HETATM 5984 C C8   . A1INZ H 2 .   ? 12.261 31.297  -13.174 1   16.074 ? 201 A1INZ C C8   1 ? 
HETATM 5985 C C9   . A1INZ H 2 .   ? 10.053 28.057  -15.238 1   12.814 ? 201 A1INZ C C9   1 ? 
HETATM 5986 C C10  . A1INZ H 2 .   ? 9.383  27.509  -13.998 1   14.111 ? 201 A1INZ C C10  1 ? 
HETATM 5987 C C12  . A1INZ H 2 .   ? 12.75  27.029  -13.842 1   15.196 ? 201 A1INZ C C12  1 ? 
HETATM 5988 C C13  . A1INZ H 2 .   ? 13.441 25.958  -14.327 1   13.538 ? 201 A1INZ C C13  1 ? 
HETATM 5989 N N1   . A1INZ H 2 .   ? 11.576 26.525  -13.428 1   14.217 ? 201 A1INZ C N1   1 ? 
HETATM 5990 N N2   . A1INZ H 2 .   ? 12.655 24.847  -14.241 1   14.996 ? 201 A1INZ C N2   1 ? 
HETATM 5991 C C3   . A1INZ H 2 .   ? 13.268 31.089  -17.538 1   15.437 ? 201 A1INZ C C3   1 ? 
HETATM 5992 N N3   . A1INZ H 2 .   ? 11.521 25.192  -13.668 1   15.564 ? 201 A1INZ C N3   1 ? 
HETATM 5993 C C1   . A1INZ H 2 .   ? 15.746 31.989  -16.486 1   22.319 ? 201 A1INZ C C1   1 ? 
HETATM 5994 O O1   . A1INZ H 2 .   ? 14.677 31.679  -15.621 1   19.118 ? 201 A1INZ C O1   1 ? 
HETATM 5995 C C2   . A1INZ H 2 .   ? 13.572 31.098  -16.187 1   16.83  ? 201 A1INZ C C2   1 ? 
HETATM 5996 O O2   . A1INZ H 2 .   ? 13.09  30.464  -13.941 1   16.437 ? 201 A1INZ C O2   1 ? 
HETATM 5997 O O3   . A1INZ H 2 .   ? 10.79  29.197  -14.815 1   14.07  ? 201 A1INZ C O3   1 ? 
HETATM 5998 C C15  . A1INZ H 2 .   ? 14.791 26.638  -16.316 1   14.07  ? 201 A1INZ C C15  1 ? 
HETATM 5999 C C16  . A1INZ H 2 .   ? 16.188 26.736  -16.915 1   14.789 ? 201 A1INZ C C16  1 ? 
HETATM 6000 C C17  . A1INZ H 2 .   ? 13.724 26.037  -17.231 1   14.454 ? 201 A1INZ C C17  1 ? 
HETATM 6001 O O4   . A1INZ H 2 .   ? 13.606 26.772  -18.478 1   13.358 ? 201 A1INZ C O4   1 ? 
HETATM 6002 C C18  . A1INZ H 2 .   ? 13.413 26.085  -19.602 1   12.024 ? 201 A1INZ C C18  1 ? 
HETATM 6003 O O5   . A1INZ H 2 .   ? 13.504 24.9    -19.716 1   12.942 ? 201 A1INZ C O5   1 ? 
HETATM 6004 C C19  . A1INZ H 2 .   ? 13.166 27.02   -20.782 1   12.001 ? 201 A1INZ C C19  1 ? 
HETATM 6005 C C20  . A1INZ H 2 .   ? 14.214 26.705  -21.853 1   11.485 ? 201 A1INZ C C20  1 ? 
HETATM 6006 C C21  . A1INZ H 2 .   ? 15.599 27.275  -21.45  1   12.29  ? 201 A1INZ C C21  1 ? 
HETATM 6007 C C22  . A1INZ H 2 .   ? 15.518 28.775  -21.183 1   12.246 ? 201 A1INZ C C22  1 ? 
HETATM 6008 C C23  . A1INZ H 2 .   ? 14.456 29.101  -20.131 1   11.763 ? 201 A1INZ C C23  1 ? 
HETATM 6009 N N4   . A1INZ H 2 .   ? 13.158 28.442  -20.426 1   11.61  ? 201 A1INZ C N4   1 ? 
HETATM 6010 C C24  . A1INZ H 2 .   ? 11.985 28.985  -20.064 1   12.416 ? 201 A1INZ C C24  1 ? 
HETATM 6011 O O6   . A1INZ H 2 .   ? 10.992 28.255  -20.004 1   12.508 ? 201 A1INZ C O6   1 ? 
HETATM 6012 C C25  . A1INZ H 2 .   ? 11.861 30.404  -19.511 1   12.115 ? 201 A1INZ C C25  1 ? 
HETATM 6013 C C26  . A1INZ H 2 .   ? 10.449 30.96   -19.832 1   12.434 ? 201 A1INZ C C26  1 ? 
HETATM 6014 C C27  . A1INZ H 2 .   ? 10.325 31.166  -21.339 1   13.56  ? 201 A1INZ C C27  1 ? 
HETATM 6015 C C28  . A1INZ H 2 .   ? 8.988  31.797  -21.715 1   13.957 ? 201 A1INZ C C28  1 ? 
HETATM 6016 C C29  . A1INZ H 2 .   ? 8.725  33.113  -20.996 1   14.309 ? 201 A1INZ C C29  1 ? 
HETATM 6017 C C30  . A1INZ H 2 .   ? 8.911  32.987  -19.494 1   14.628 ? 201 A1INZ C C30  1 ? 
HETATM 6018 C C31  . A1INZ H 2 .   ? 10.223 32.296  -19.123 1   13.947 ? 201 A1INZ C C31  1 ? 
HETATM 6019 H H17  . A1INZ H 2 .   ? 15.454 26.324  -14.384 1   13.779 ? 201 A1INZ C H17  1 c 
HETATM 6020 H H16  . A1INZ H 2 .   ? 15.05  24.972  -15.119 1   13.896 ? 201 A1INZ C H16  1 c 
HETATM 6021 H H5   . A1INZ H 2 .   ? 10.538 29.319  -17.456 1   13.537 ? 201 A1INZ C H5   1 c 
HETATM 6022 H H13  . A1INZ H 2 .   ? 9.968  26.625  -12.234 1   14.333 ? 201 A1INZ C H13  1 c 
HETATM 6023 H H14  . A1INZ H 2 .   ? 10.66  28.031  -12.471 1   14.278 ? 201 A1INZ C H14  1 c 
HETATM 6024 H H7   . A1INZ H 2 .   ? 12.554 31.278  -12.248 1   16.284 ? 201 A1INZ C H7   1 c 
HETATM 6025 H H8   . A1INZ H 2 .   ? 11.344 30.985  -13.228 1   16.271 ? 201 A1INZ C H8   1 c 
HETATM 6026 H H6   . A1INZ H 2 .   ? 12.315 32.206  -13.511 1   16.286 ? 201 A1INZ C H6   1 c 
HETATM 6027 H H9   . A1INZ H 2 .   ? 10.649 27.385  -15.636 1   13.347 ? 201 A1INZ C H9   1 c 
HETATM 6028 H H10  . A1INZ H 2 .   ? 9.375  28.313  -15.902 1   13.29  ? 201 A1INZ C H10  1 c 
HETATM 6029 H H11  . A1INZ H 2 .   ? 8.895  26.69   -14.23  1   13.947 ? 201 A1INZ C H11  1 c 
HETATM 6030 H H12  . A1INZ H 2 .   ? 8.734  28.163  -13.663 1   14.104 ? 201 A1INZ C H12  1 c 
HETATM 6031 H H15  . A1INZ H 2 .   ? 13.023 27.929  -13.826 1   14.726 ? 201 A1INZ C H15  1 c 
HETATM 6032 H H4   . A1INZ H 2 .   ? 13.854 31.504  -18.151 1   15.516 ? 201 A1INZ C H4   1 c 
HETATM 6033 H H2   . A1INZ H 2 .   ? 16.479 32.361  -15.97  1   21.788 ? 201 A1INZ C H2   1 c 
HETATM 6034 H H3   . A1INZ H 2 .   ? 15.454 32.639  -17.146 1   22.001 ? 201 A1INZ C H3   1 c 
HETATM 6035 H H1   . A1INZ H 2 .   ? 16.044 31.181  -16.935 1   21.875 ? 201 A1INZ C H1   1 c 
HETATM 6036 H H18  . A1INZ H 2 .   ? 14.507 27.568  -16.135 1   14.158 ? 201 A1INZ C H18  1 c 
HETATM 6037 H H20  . A1INZ H 2 .   ? 16.542 25.843  -17.06  1   14.701 ? 201 A1INZ C H20  1 c 
HETATM 6038 H H21  . A1INZ H 2 .   ? 16.769 27.22   -16.304 1   14.732 ? 201 A1INZ C H21  1 c 
HETATM 6039 H H19  . A1INZ H 2 .   ? 16.145 27.209  -17.763 1   14.665 ? 201 A1INZ C H19  1 c 
HETATM 6040 H H23  . A1INZ H 2 .   ? 13.956 25.104  -17.42  1   14.264 ? 201 A1INZ C H23  1 c 
HETATM 6041 H H22  . A1INZ H 2 .   ? 12.86  26.046  -16.77  1   14.358 ? 201 A1INZ C H22  1 c 
HETATM 6042 H H24  . A1INZ H 2 .   ? 12.271 26.803  -21.155 1   11.999 ? 201 A1INZ C H24  1 c 
HETATM 6043 H H26  . A1INZ H 2 .   ? 14.282 25.727  -21.976 1   11.722 ? 201 A1INZ C H26  1 c 
HETATM 6044 H H25  . A1INZ H 2 .   ? 13.933 27.103  -22.712 1   11.78  ? 201 A1INZ C H25  1 c 
HETATM 6045 H H27  . A1INZ H 2 .   ? 16.247 27.104  -22.171 1   12.117 ? 201 A1INZ C H27  1 c 
HETATM 6046 H H28  . A1INZ H 2 .   ? 15.921 26.815  -20.641 1   12.22  ? 201 A1INZ C H28  1 c 
HETATM 6047 H H29  . A1INZ H 2 .   ? 15.301 29.243  -22.018 1   12.228 ? 201 A1INZ C H29  1 c 
HETATM 6048 H H30  . A1INZ H 2 .   ? 16.391 29.099  -20.874 1   12.173 ? 201 A1INZ C H30  1 c 
HETATM 6049 H H31  . A1INZ H 2 .   ? 14.328 30.075  -20.098 1   11.826 ? 201 A1INZ C H31  1 c 
HETATM 6050 H H32  . A1INZ H 2 .   ? 14.775 28.808  -19.248 1   11.882 ? 201 A1INZ C H32  1 c 
HETATM 6051 H H33  . A1INZ H 2 .   ? 12.539 30.974  -19.958 1   12.417 ? 201 A1INZ C H33  1 c 
HETATM 6052 H H34  . A1INZ H 2 .   ? 9.76   30.311  -19.533 1   12.811 ? 201 A1INZ C H34  1 c 
HETATM 6053 H H36  . A1INZ H 2 .   ? 11.053 31.743  -21.648 1   13.53  ? 201 A1INZ C H36  1 c 
HETATM 6054 H H35  . A1INZ H 2 .   ? 10.411 30.304  -21.793 1   13.507 ? 201 A1INZ C H35  1 c 
HETATM 6055 H H37  . A1INZ H 2 .   ? 8.265  31.166  -21.5   1   14.057 ? 201 A1INZ C H37  1 c 
HETATM 6056 H H38  . A1INZ H 2 .   ? 8.97   31.954  -22.685 1   13.989 ? 201 A1INZ C H38  1 c 
HETATM 6057 H H39  . A1INZ H 2 .   ? 7.808  33.408  -21.186 1   14.408 ? 201 A1INZ C H39  1 c 
HETATM 6058 H H40  . A1INZ H 2 .   ? 9.34   33.797  -21.341 1   14.368 ? 201 A1INZ C H40  1 c 
HETATM 6059 H H41  . A1INZ H 2 .   ? 8.16   32.474  -19.119 1   14.574 ? 201 A1INZ C H41  1 c 
HETATM 6060 H H42  . A1INZ H 2 .   ? 8.894  33.883  -19.091 1   14.482 ? 201 A1INZ C H42  1 c 
HETATM 6061 H H44  . A1INZ H 2 .   ? 10.966 32.896  -19.336 1   13.823 ? 201 A1INZ C H44  1 c 
HETATM 6062 H H43  . A1INZ H 2 .   ? 10.233 32.146  -18.156 1   13.861 ? 201 A1INZ C H43  1 c 
HETATM 6063 C C1   . EDO   I 3 .   ? 13.113 22.019  -16.51  1   24.803 ? 202 EDO   C C1   1 ? 
HETATM 6064 O O1   . EDO   I 3 .   ? 13.041 22.218  -15.122 1   25.167 ? 202 EDO   C O1   1 ? 
HETATM 6065 C C2   . EDO   I 3 .   ? 11.853 21.741  -17.157 1   28.206 ? 202 EDO   C C2   1 ? 
HETATM 6066 O O2   . EDO   I 3 .   ? 10.871 21.499  -16.268 1   31.007 ? 202 EDO   C O2   1 ? 
HETATM 6067 H H11  . EDO   I 3 .   ? 13.721 21.271  -16.686 1   25.604 ? 202 EDO   C H11  1 c 
HETATM 6068 H H12  . EDO   I 3 .   ? 13.501 22.821  -16.92  1   25.381 ? 202 EDO   C H12  1 c 
HETATM 6069 H HO1  . EDO   I 3 .   ? 13.83  22.342  -14.838 0   25.17  ? 202 EDO   C HO1  1 c 
HETATM 6070 H H21  . EDO   I 3 .   ? 11.957 20.965  -17.746 1   28.134 ? 202 EDO   C H21  1 c 
HETATM 6071 H H22  . EDO   I 3 .   ? 11.602 22.512  -17.709 1   28.501 ? 202 EDO   C H22  1 c 
HETATM 6072 H HO2  . EDO   I 3 .   ? 10.131 21.409  -16.68  0   30.77  ? 202 EDO   C HO2  1 c 
HETATM 6073 O O    . HOH   J 4 .   ? 13.383 -12.381 1.181   1   33.224 ? 301 HOH   A O    1 ? 
HETATM 6074 O O    . HOH   J 4 .   ? 29.59  -9.709  5.767   1   35.687 ? 302 HOH   A O    1 ? 
HETATM 6075 O O    . HOH   J 4 .   ? 3.752  2.512   11.82   1   21.405 ? 303 HOH   A O    1 ? 
HETATM 6076 O O    . HOH   J 4 .   ? 19.011 11.884  13.238  1   29.284 ? 304 HOH   A O    1 ? 
HETATM 6077 O O    . HOH   J 4 .   ? 32.24  -3.369  -7.919  1   42.484 ? 305 HOH   A O    1 ? 
HETATM 6078 O O    . HOH   J 4 .   ? 22.168 -0.98   -7.467  1   19.293 ? 306 HOH   A O    1 ? 
HETATM 6079 O O    . HOH   J 4 .   ? 1.966  2.916   1.523   1   30.25  ? 307 HOH   A O    1 ? 
HETATM 6080 O O    . HOH   J 4 .   ? 5.36   -5.923  -7.597  1   22.081 ? 308 HOH   A O    1 ? 
HETATM 6081 O O    . HOH   J 4 .   ? 29.883 -0.619  -5.583  1   17.621 ? 309 HOH   A O    1 ? 
HETATM 6082 O O    . HOH   J 4 .   ? 0.586  3.609   5.606   1   24.722 ? 310 HOH   A O    1 ? 
HETATM 6083 O O    . HOH   J 4 .   ? 19.235 15.732  -1.131  1   17.993 ? 311 HOH   A O    1 ? 
HETATM 6084 O O    . HOH   J 4 .   ? 31.371 -7.019  0.814   1   24.093 ? 312 HOH   A O    1 ? 
HETATM 6085 O O    . HOH   J 4 .   ? 34.475 -0.789  9.043   1   34.074 ? 313 HOH   A O    1 ? 
HETATM 6086 O O    . HOH   J 4 .   ? 23.802 2.04    -8.894  1   20.247 ? 314 HOH   A O    1 ? 
HETATM 6087 O O    . HOH   J 4 .   ? 17.656 -6.887  -1.033  1   19.81  ? 315 HOH   A O    1 ? 
HETATM 6088 O O    . HOH   J 4 .   ? 17.461 15.321  11.763  1   32.643 ? 316 HOH   A O    1 ? 
HETATM 6089 O O    . HOH   J 4 .   ? 19.848 -4.19   10.425  1   31.24  ? 317 HOH   A O    1 ? 
HETATM 6090 O O    . HOH   J 4 .   ? 15.767 -7.344  -2.988  1   33.099 ? 318 HOH   A O    1 ? 
HETATM 6091 O O    . HOH   J 4 .   ? 31.155 7.23    -1.83   1   30.113 ? 319 HOH   A O    1 ? 
HETATM 6092 O O    . HOH   J 4 .   ? 2.749  3.531   -2.991  1   29.364 ? 320 HOH   A O    1 ? 
HETATM 6093 O O    . HOH   J 4 .   ? 5.811  1.198   -8.988  1   24.976 ? 321 HOH   A O    1 ? 
HETATM 6094 O O    . HOH   J 4 .   ? 11.713 9.745   -6.483  1   25.126 ? 322 HOH   A O    1 ? 
HETATM 6095 O O    . HOH   J 4 .   ? 11.374 0.023   17.346  1   33.346 ? 323 HOH   A O    1 ? 
HETATM 6096 O O    . HOH   J 4 .   ? 26.501 13.55   -3.317  1   36.817 ? 324 HOH   A O    1 ? 
HETATM 6097 O O    . HOH   J 4 .   ? 15.704 3.093   -10.749 1   33.822 ? 325 HOH   A O    1 ? 
HETATM 6098 O O    . HOH   J 4 .   ? 24.515 10.33   11.284  1   33.144 ? 326 HOH   A O    1 ? 
HETATM 6099 O O    . HOH   J 4 .   ? 29.127 8.812   -2.545  1   28.228 ? 327 HOH   A O    1 ? 
HETATM 6100 O O    . HOH   J 4 .   ? 1.824  7.049   6.352   1   41.897 ? 328 HOH   A O    1 ? 
HETATM 6101 O O    . HOH   J 4 .   ? 5.904  0.839   -0.765  1   18.239 ? 329 HOH   A O    1 ? 
HETATM 6102 O O    . HOH   J 4 .   ? 30.222 -7.346  -1.612  1   21.48  ? 330 HOH   A O    1 ? 
HETATM 6103 O O    . HOH   J 4 .   ? 27.868 7.858   -8.174  1   46.521 ? 331 HOH   A O    1 ? 
HETATM 6104 O O    . HOH   J 4 .   ? 5.92   2.16    9.954   1   18.845 ? 332 HOH   A O    1 ? 
HETATM 6105 O O    . HOH   J 4 .   ? 3.48   2.708   19.492  1   41.468 ? 333 HOH   A O    1 ? 
HETATM 6106 O O    . HOH   J 4 .   ? 9.273  -4.183  -9.802  1   37.552 ? 334 HOH   A O    1 ? 
HETATM 6107 O O    . HOH   J 4 .   ? 23.777 2.082   14.172  1   22.77  ? 335 HOH   A O    1 ? 
HETATM 6108 O O    . HOH   J 4 .   ? 5.268  -3.324  -8.794  1   19.427 ? 336 HOH   A O    1 ? 
HETATM 6109 O O    . HOH   J 4 .   ? 9.129  -9.74   0.832   1   27.649 ? 337 HOH   A O    1 ? 
HETATM 6110 O O    . HOH   J 4 .   ? 21.556 -4.719  -6.793  1   27.529 ? 338 HOH   A O    1 ? 
HETATM 6111 O O    . HOH   J 4 .   ? 18.31  -1.278  -8.002  1   24.735 ? 339 HOH   A O    1 ? 
HETATM 6112 O O    . HOH   J 4 .   ? 11.029 -3.519  10.211  1   21.54  ? 340 HOH   A O    1 ? 
HETATM 6113 O O    . HOH   J 4 .   ? 29.887 13.268  6.051   1   33.231 ? 341 HOH   A O    1 ? 
HETATM 6114 O O    . HOH   J 4 .   ? 28.952 5.343   -12.174 1   42.407 ? 342 HOH   A O    1 ? 
HETATM 6115 O O    . HOH   J 4 .   ? 24.143 -9.319  10.01   1   31.743 ? 343 HOH   A O    1 ? 
HETATM 6116 O O    . HOH   J 4 .   ? 9.766  15.681  -3.338  1   26.724 ? 344 HOH   A O    1 ? 
HETATM 6117 O O    . HOH   J 4 .   ? 14.78  13.294  13.746  1   44.492 ? 345 HOH   A O    1 ? 
HETATM 6118 O O    . HOH   J 4 .   ? 27.663 0.93    -11.8   1   37.075 ? 346 HOH   A O    1 ? 
HETATM 6119 O O    . HOH   J 4 .   ? 11.957 -8.768  0.683   1   29.011 ? 347 HOH   A O    1 ? 
HETATM 6120 O O    . HOH   J 4 .   ? 9.667  4.835   19.969  1   90.52  ? 348 HOH   A O    1 ? 
HETATM 6121 O O    . HOH   J 4 .   ? 10.746 15.967  12.574  1   44.087 ? 349 HOH   A O    1 ? 
HETATM 6122 O O    . HOH   J 4 .   ? 18.983 17.633  5.933   1   29.412 ? 350 HOH   A O    1 ? 
HETATM 6123 O O    . HOH   J 4 .   ? 3.507  -4.387  2.82    1   35.963 ? 351 HOH   A O    1 ? 
HETATM 6124 O O    . HOH   J 4 .   ? 17.462 7.273   17.764  1   37.01  ? 352 HOH   A O    1 ? 
HETATM 6125 O O    . HOH   J 4 .   ? -0.804 6.175   16.033  1   35.898 ? 353 HOH   A O    1 ? 
HETATM 6126 O O    . HOH   J 4 .   ? 22.455 13.311  -9.002  1   40.652 ? 354 HOH   A O    1 ? 
HETATM 6127 O O    . HOH   J 4 .   ? 23.206 8.418   -12.541 1   33.604 ? 355 HOH   A O    1 ? 
HETATM 6128 O O    . HOH   J 4 .   ? 11.926 11.504  -8.124  1   39.94  ? 356 HOH   A O    1 ? 
HETATM 6129 O O    . HOH   J 4 .   ? 9.79   17.352  3.154   1   29.441 ? 357 HOH   A O    1 ? 
HETATM 6130 O O    . HOH   J 4 .   ? 1.236  1.595   -4.64   1   30.313 ? 358 HOH   A O    1 ? 
HETATM 6131 O O    . HOH   J 4 .   ? 15.169 0.47    -8.723  1   34.089 ? 359 HOH   A O    1 ? 
HETATM 6132 O O    . HOH   J 4 .   ? 13.55  9.316   -11.29  1   39.146 ? 360 HOH   A O    1 ? 
HETATM 6133 O O    . HOH   J 4 .   ? 20.502 12.064  1.382   1   23.925 ? 361 HOH   A O    1 ? 
HETATM 6134 O O    . HOH   J 4 .   ? 3.411  8.303   -2.683  1   39.781 ? 362 HOH   A O    1 ? 
HETATM 6135 O O    . HOH   J 4 .   ? 22.889 12.626  0.541   1   38.037 ? 363 HOH   A O    1 ? 
HETATM 6136 O O    . HOH   J 4 .   ? 0.113  -1.367  -4.038  1   21.684 ? 364 HOH   A O    1 ? 
HETATM 6137 O O    . HOH   J 4 .   ? 4.719  13.198  -3.261  1   30.92  ? 365 HOH   A O    1 ? 
HETATM 6138 O O    . HOH   J 4 .   ? 25.018 15.846  -4.475  1   41.925 ? 366 HOH   A O    1 ? 
HETATM 6139 O O    . HOH   J 4 .   ? 34.888 -7.091  2.824   1   38.171 ? 367 HOH   A O    1 ? 
HETATM 6140 O O    . HOH   J 4 .   ? 14.759 -9.213  -1      1   40.693 ? 368 HOH   A O    1 ? 
HETATM 6141 O O    . HOH   J 4 .   ? 20.904 5.234   16.103  1   29.462 ? 369 HOH   A O    1 ? 
HETATM 6142 O O    . HOH   J 4 .   ? 2.771  -6.446  -7.37   1   39.646 ? 370 HOH   A O    1 ? 
HETATM 6143 O O    . HOH   J 4 .   ? 8.956  -6.677  -9.49   1   39.494 ? 371 HOH   A O    1 ? 
HETATM 6144 O O    . HOH   J 4 .   ? 8.966  11.803  19.552  1   31.47  ? 372 HOH   A O    1 ? 
HETATM 6145 O O    . HOH   J 4 .   ? 21.415 15.509  -2.01   1   27.289 ? 373 HOH   A O    1 ? 
HETATM 6146 O O    . HOH   J 4 .   ? 20.895 -0.913  -9.606  1   30.666 ? 374 HOH   A O    1 ? 
HETATM 6147 O O    . HOH   J 4 .   ? 2.249  8.574   9.317   1   33.849 ? 375 HOH   A O    1 ? 
HETATM 6148 O O    . HOH   J 4 .   ? 3.274  -3.286  -10.668 1   35.912 ? 376 HOH   A O    1 ? 
HETATM 6149 O O    . HOH   J 4 .   ? 32.628 -0.683  -5.131  1   27.963 ? 377 HOH   A O    1 ? 
HETATM 6150 O O    . HOH   J 4 .   ? 33.652 1.727   -5.782  1   30.886 ? 378 HOH   A O    1 ? 
HETATM 6151 O O    . HOH   J 4 .   ? 22.041 1.282   -10.831 1   27.634 ? 379 HOH   A O    1 ? 
HETATM 6152 O O    . HOH   J 4 .   ? 33.678 -5.582  0.75    1   34.09  ? 380 HOH   A O    1 ? 
HETATM 6153 O O    . HOH   J 4 .   ? 6.521  -7.114  -9.679  1   46.053 ? 381 HOH   A O    1 ? 
HETATM 6154 O O    . HOH   J 4 .   ? 31.748 11.476  5.413   1   30.522 ? 382 HOH   A O    1 ? 
HETATM 6155 O O    . HOH   J 4 .   ? 22.423 17.019  -4.159  1   32.783 ? 383 HOH   A O    1 ? 
HETATM 6156 O O    . HOH   J 4 .   ? 17.617 1.695   -12.159 1   37.885 ? 384 HOH   A O    1 ? 
HETATM 6157 O O    . HOH   J 4 .   ? 32.761 -9.482  0.698   1   33.164 ? 385 HOH   A O    1 ? 
HETATM 6158 O O    . HOH   J 4 .   ? 13.356 -9.102  5.83    1   34.796 ? 386 HOH   A O    1 ? 
HETATM 6159 O O    . HOH   J 4 .   ? 22.636 7.311   -15.275 1   46.571 ? 387 HOH   A O    1 ? 
HETATM 6160 O O    . HOH   J 4 .   ? 19.783 2.472   -12.498 1   26.446 ? 388 HOH   A O    1 ? 
HETATM 6161 O O    . HOH   J 4 .   ? 33.47  10.346  7.248   1   32.277 ? 389 HOH   A O    1 ? 
HETATM 6162 O O    . HOH   K 4 .   ? 10.451 -11.206 -37.082 1   42.458 ? 301 HOH   B O    1 ? 
HETATM 6163 O O    . HOH   K 4 .   ? 28.444 -9.697  -24.537 1   23.746 ? 302 HOH   B O    1 ? 
HETATM 6164 O O    . HOH   K 4 .   ? 5.652  -1.606  -40.555 1   38.709 ? 303 HOH   B O    1 ? 
HETATM 6165 O O    . HOH   K 4 .   ? 17.484 -2.153  -23.563 1   18.292 ? 304 HOH   B O    1 ? 
HETATM 6166 O O    . HOH   K 4 .   ? 34.617 -6.919  -22.899 1   21.791 ? 305 HOH   B O    1 ? 
HETATM 6167 O O    . HOH   K 4 .   ? 16.319 1.34    -45.385 1   28.751 ? 306 HOH   B O    1 ? 
HETATM 6168 O O    . HOH   K 4 .   ? 24.265 -8.459  -27.803 1   35.046 ? 307 HOH   B O    1 ? 
HETATM 6169 O O    . HOH   K 4 .   ? 24.102 -8.87   -39.169 1   38.027 ? 308 HOH   B O    1 ? 
HETATM 6170 O O    . HOH   K 4 .   ? 29.603 -3.709  -44.085 1   43.292 ? 309 HOH   B O    1 ? 
HETATM 6171 O O    . HOH   K 4 .   ? 36.342 0.925   -42.35  1   19.797 ? 310 HOH   B O    1 ? 
HETATM 6172 O O    . HOH   K 4 .   ? 8.632  -8.325  -32.114 1   23.996 ? 311 HOH   B O    1 ? 
HETATM 6173 O O    . HOH   K 4 .   ? 27.774 10.36   -22.534 1   51.311 ? 312 HOH   B O    1 ? 
HETATM 6174 O O    . HOH   K 4 .   ? 8.899  5.891   -29.646 1   31.177 ? 313 HOH   B O    1 ? 
HETATM 6175 O O    . HOH   K 4 .   ? 9.747  -8.557  -29.682 1   21.049 ? 314 HOH   B O    1 ? 
HETATM 6176 O O    . HOH   K 4 .   ? 39.456 2.439   -36.146 1   31.816 ? 315 HOH   B O    1 ? 
HETATM 6177 O O    . HOH   K 4 .   ? 19.518 -5.711  -41.22  1   19.493 ? 316 HOH   B O    1 ? 
HETATM 6178 O O    . HOH   K 4 .   ? 38.162 1.774   -32.006 1   36.071 ? 317 HOH   B O    1 ? 
HETATM 6179 O O    . HOH   K 4 .   ? 37.053 -11.108 -31.485 1   37.073 ? 318 HOH   B O    1 ? 
HETATM 6180 O O    . HOH   K 4 .   ? 9.866  -1.945  -25.815 1   15.839 ? 319 HOH   B O    1 ? 
HETATM 6181 O O    . HOH   K 4 .   ? 20.076 -8.658  -35.163 1   34.309 ? 320 HOH   B O    1 ? 
HETATM 6182 O O    . HOH   K 4 .   ? 20.923 10.595  -43.777 1   35.438 ? 321 HOH   B O    1 ? 
HETATM 6183 O O    . HOH   K 4 .   ? 22.82  -5.373  -47.499 1   46.381 ? 322 HOH   B O    1 ? 
HETATM 6184 O O    . HOH   K 4 .   ? 15.911 0.873   -22.232 1   19.197 ? 323 HOH   B O    1 ? 
HETATM 6185 O O    . HOH   K 4 .   ? 30.825 2.275   -51.064 1   20.293 ? 324 HOH   B O    1 ? 
HETATM 6186 O O    . HOH   K 4 .   ? 21.07  14.67   -29.513 1   22.589 ? 325 HOH   B O    1 ? 
HETATM 6187 O O    . HOH   K 4 .   ? 22.234 -8.239  -29.615 1   19.316 ? 326 HOH   B O    1 ? 
HETATM 6188 O O    . HOH   K 4 .   ? 30.502 14.445  -27.492 1   24.144 ? 327 HOH   B O    1 ? 
HETATM 6189 O O    . HOH   K 4 .   ? 24.119 -1.035  -22.133 1   34.651 ? 328 HOH   B O    1 ? 
HETATM 6190 O O    . HOH   K 4 .   ? 31.046 -11.042 -31.367 1   19.19  ? 329 HOH   B O    1 ? 
HETATM 6191 O O    . HOH   K 4 .   ? 33.792 0.163   -21.417 1   23.71  ? 330 HOH   B O    1 ? 
HETATM 6192 O O    . HOH   K 4 .   ? 38.063 5.824   -37.116 1   39.813 ? 331 HOH   B O    1 ? 
HETATM 6193 O O    . HOH   K 4 .   ? 34.172 0.831   -40.507 1   17.452 ? 332 HOH   B O    1 ? 
HETATM 6194 O O    . HOH   K 4 .   ? 21.454 -2.28   -22.943 1   22.088 ? 333 HOH   B O    1 ? 
HETATM 6195 O O    . HOH   K 4 .   ? 10.763 7.568   -28.905 1   32.534 ? 334 HOH   B O    1 ? 
HETATM 6196 O O    . HOH   K 4 .   ? 36.743 6.763   -27.658 1   42.881 ? 335 HOH   B O    1 ? 
HETATM 6197 O O    . HOH   K 4 .   ? 24.184 1.761   -20.345 1   28.597 ? 336 HOH   B O    1 ? 
HETATM 6198 O O    . HOH   K 4 .   ? 7.277  -4.566  -23.553 1   41.062 ? 337 HOH   B O    1 ? 
HETATM 6199 O O    . HOH   K 4 .   ? 28.222 8.709   -24.314 1   28.174 ? 338 HOH   B O    1 ? 
HETATM 6200 O O    . HOH   K 4 .   ? 37.305 2.371   -27.509 1   25.954 ? 339 HOH   B O    1 ? 
HETATM 6201 O O    . HOH   K 4 .   ? 20.408 -13.3   -40.961 1   42.653 ? 340 HOH   B O    1 ? 
HETATM 6202 O O    . HOH   K 4 .   ? 7.582  -10.117 -34.5   1   24.064 ? 341 HOH   B O    1 ? 
HETATM 6203 O O    . HOH   K 4 .   ? 11.873 -0.082  -19.401 1   39.145 ? 342 HOH   B O    1 ? 
HETATM 6204 O O    . HOH   K 4 .   ? 29.238 -4.946  -40.715 1   19.294 ? 343 HOH   B O    1 ? 
HETATM 6205 O O    . HOH   K 4 .   ? 7.466  8.887   -42.287 1   36.373 ? 344 HOH   B O    1 ? 
HETATM 6206 O O    . HOH   K 4 .   ? 30.335 13.598  -29.936 1   37.653 ? 345 HOH   B O    1 ? 
HETATM 6207 O O    . HOH   K 4 .   ? 28.118 -10.025 -31.222 1   25.446 ? 346 HOH   B O    1 ? 
HETATM 6208 O O    . HOH   K 4 .   ? 37.138 -5.121  -45.165 1   38.773 ? 347 HOH   B O    1 ? 
HETATM 6209 O O    . HOH   K 4 .   ? 36.562 0.812   -49.995 1   35.061 ? 348 HOH   B O    1 ? 
HETATM 6210 O O    . HOH   K 4 .   ? 34.006 -0.284  -29.732 1   20.955 ? 349 HOH   B O    1 ? 
HETATM 6211 O O    . HOH   K 4 .   ? 16.125 7.213   -18.76  1   34.789 ? 350 HOH   B O    1 ? 
HETATM 6212 O O    . HOH   K 4 .   ? 34.602 -4.401  -21.742 1   22.653 ? 351 HOH   B O    1 ? 
HETATM 6213 O O    . HOH   K 4 .   ? 13.982 15.926  -36.318 1   36.828 ? 352 HOH   B O    1 ? 
HETATM 6214 O O    . HOH   K 4 .   ? 16.815 -10.018 -32.047 1   21.407 ? 353 HOH   B O    1 ? 
HETATM 6215 O O    . HOH   K 4 .   ? 36.566 -5.46   -32.949 1   28.372 ? 354 HOH   B O    1 ? 
HETATM 6216 O O    . HOH   K 4 .   ? 23.97  12.238  -20.442 1   33.745 ? 355 HOH   B O    1 ? 
HETATM 6217 O O    . HOH   K 4 .   ? 23.087 14.315  -42.378 1   33.94  ? 356 HOH   B O    1 ? 
HETATM 6218 O O    . HOH   K 4 .   ? 30.497 -5.332  -20.669 1   34.914 ? 357 HOH   B O    1 ? 
HETATM 6219 O O    . HOH   K 4 .   ? 12.731 7.101   -19.66  1   37.818 ? 358 HOH   B O    1 ? 
HETATM 6220 O O    . HOH   K 4 .   ? 17.12  -8.109  -46.829 1   36.95  ? 359 HOH   B O    1 ? 
HETATM 6221 O O    . HOH   K 4 .   ? 14.671 -2.033  -45.818 1   37.447 ? 360 HOH   B O    1 ? 
HETATM 6222 O O    . HOH   K 4 .   ? 32.895 -14.363 -25.074 1   34.238 ? 361 HOH   B O    1 ? 
HETATM 6223 O O    . HOH   K 4 .   ? 38.787 0.499   -25.703 1   32.011 ? 362 HOH   B O    1 ? 
HETATM 6224 O O    . HOH   K 4 .   ? 44.286 -2.838  -42.515 1   35.464 ? 363 HOH   B O    1 ? 
HETATM 6225 O O    . HOH   K 4 .   ? 37.952 -6.292  -42.178 1   45.056 ? 364 HOH   B O    1 ? 
HETATM 6226 O O    . HOH   K 4 .   ? 30.456 16.066  -34.008 1   36.228 ? 365 HOH   B O    1 ? 
HETATM 6227 O O    . HOH   K 4 .   ? 35.154 11.721  -27.196 1   35.166 ? 366 HOH   B O    1 ? 
HETATM 6228 O O    . HOH   K 4 .   ? 32.07  -3.566  -20.914 1   33.616 ? 367 HOH   B O    1 ? 
HETATM 6229 O O    . HOH   K 4 .   ? 39.742 -2.267  -26.549 1   40.919 ? 368 HOH   B O    1 ? 
HETATM 6230 O O    . HOH   K 4 .   ? 15.042 3.815   -44.588 1   33.248 ? 369 HOH   B O    1 ? 
HETATM 6231 O O    . HOH   K 4 .   ? 34.824 -2.055  -50.272 1   42.659 ? 370 HOH   B O    1 ? 
HETATM 6232 O O    . HOH   K 4 .   ? 40.699 4.006   -47.366 1   40.352 ? 371 HOH   B O    1 ? 
HETATM 6233 O O    . HOH   K 4 .   ? 30.306 4.845   -50.363 1   21.644 ? 372 HOH   B O    1 ? 
HETATM 6234 O O    . HOH   K 4 .   ? 6.106  -4.681  -40.758 1   40.633 ? 373 HOH   B O    1 ? 
HETATM 6235 O O    . HOH   K 4 .   ? 37.065 -7.644  -23.071 1   35.883 ? 374 HOH   B O    1 ? 
HETATM 6236 O O    . HOH   K 4 .   ? 5.389  2.851   -37.069 1   49.831 ? 375 HOH   B O    1 ? 
HETATM 6237 O O    . HOH   K 4 .   ? 19.371 10.922  -32.437 1   34.077 ? 376 HOH   B O    1 ? 
HETATM 6238 O O    . HOH   K 4 .   ? 20.225 4.468   -18.28  1   39.753 ? 377 HOH   B O    1 ? 
HETATM 6239 O O    . HOH   K 4 .   ? 24.413 7.678   -19.338 1   38.724 ? 378 HOH   B O    1 ? 
HETATM 6240 O O    . HOH   K 4 .   ? 34.011 -10.489 -35.255 1   39.133 ? 379 HOH   B O    1 ? 
HETATM 6241 O O    . HOH   K 4 .   ? 40.552 9.563   -34.144 1   42.913 ? 380 HOH   B O    1 ? 
HETATM 6242 O O    . HOH   K 4 .   ? 18.667 14.216  -28.571 1   36.253 ? 381 HOH   B O    1 ? 
HETATM 6243 O O    . HOH   K 4 .   ? 39.257 -9.339  -27.115 1   38.296 ? 382 HOH   B O    1 ? 
HETATM 6244 O O    . HOH   K 4 .   ? 37.657 -12.768 -29.382 1   43.229 ? 383 HOH   B O    1 ? 
HETATM 6245 O O    . HOH   K 4 .   ? 36.72  -4.339  -19.945 1   24.633 ? 384 HOH   B O    1 ? 
HETATM 6246 O O    . HOH   K 4 .   ? 16.931 13.86   -30.233 1   32.034 ? 385 HOH   B O    1 ? 
HETATM 6247 O O    . HOH   K 4 .   ? 19.075 -2.213  -21.469 1   33.519 ? 386 HOH   B O    1 ? 
HETATM 6248 O O    . HOH   K 4 .   ? 43.602 -4.886  -41.403 1   41.373 ? 387 HOH   B O    1 ? 
HETATM 6249 O O    . HOH   K 4 .   ? 6.363  -6.848  -31.934 1   33.975 ? 388 HOH   B O    1 ? 
HETATM 6250 O O    . HOH   K 4 .   ? 7.174  -2.001  -26.378 1   30.768 ? 389 HOH   B O    1 ? 
HETATM 6251 O O    . HOH   K 4 .   ? 30.267 -15.92  -30.59  1   40.387 ? 390 HOH   B O    1 ? 
HETATM 6252 O O    . HOH   K 4 .   ? 36.239 1.066   -29.777 1   28.142 ? 391 HOH   B O    1 ? 
HETATM 6253 O O    . HOH   K 4 .   ? 40.309 -4.519  -22.168 1   34.982 ? 392 HOH   B O    1 ? 
HETATM 6254 O O    . HOH   K 4 .   ? 19.315 -10.256 -32.981 1   30.058 ? 393 HOH   B O    1 ? 
HETATM 6255 O O    . HOH   K 4 .   ? 31.495 17.442  -30.178 1   33.554 ? 394 HOH   B O    1 ? 
HETATM 6256 O O    . HOH   K 4 .   ? 5.984  0.494   -25.807 1   34.791 ? 395 HOH   B O    1 ? 
HETATM 6257 O O    . HOH   K 4 .   ? 17.697 0.28    -20.207 1   30.823 ? 396 HOH   B O    1 ? 
HETATM 6258 O O    . HOH   K 4 .   ? 7.595  -10.998 -31.853 1   29.702 ? 397 HOH   B O    1 ? 
HETATM 6259 O O    . HOH   K 4 .   ? 33.64  -8.408  -20.861 1   31.156 ? 398 HOH   B O    1 ? 
HETATM 6260 O O    . HOH   K 4 .   ? 7.758  5.318   -36.081 1   41.716 ? 399 HOH   B O    1 ? 
HETATM 6261 O O    . HOH   K 4 .   ? 19.702 1.736   -18.504 1   26.064 ? 400 HOH   B O    1 ? 
HETATM 6262 O O    . HOH   K 4 .   ? 40.51  -2.872  -51.111 1   41.67  ? 401 HOH   B O    1 ? 
HETATM 6263 O O    . HOH   K 4 .   ? 7.84   6.149   -41.192 1   27.046 ? 402 HOH   B O    1 ? 
HETATM 6264 O O    . HOH   K 4 .   ? 7.107  6.452   -38.545 1   24.517 ? 403 HOH   B O    1 ? 
HETATM 6265 O O    . HOH   K 4 .   ? 34.066 10.948  -54.385 1   37.246 ? 404 HOH   B O    1 ? 
HETATM 6266 O O    . HOH   L 4 .   ? 8.32   10.087  -36.068 1   35.622 ? 301 HOH   C O    1 ? 
HETATM 6267 O O    . HOH   L 4 .   ? 3.152  16.874  -38.152 1   27.288 ? 302 HOH   C O    1 ? 
HETATM 6268 O O    . HOH   L 4 .   ? 22.281 34.089  -19.6   1   33.113 ? 303 HOH   C O    1 ? 
HETATM 6269 O O    . HOH   L 4 .   ? 27.514 18.233  -20.191 1   32.182 ? 304 HOH   C O    1 ? 
HETATM 6270 O O    . HOH   L 4 .   ? 13.043 17.905  -20.474 1   38.187 ? 305 HOH   C O    1 ? 
HETATM 6271 O O    . HOH   L 4 .   ? 18.823 18.997  -20.435 1   18.25  ? 306 HOH   C O    1 ? 
HETATM 6272 O O    . HOH   L 4 .   ? 26.709 31.751  -33.301 1   32.171 ? 307 HOH   C O    1 ? 
HETATM 6273 O O    . HOH   L 4 .   ? 13.564 22.785  -39.575 1   44.703 ? 308 HOH   C O    1 ? 
HETATM 6274 O O    . HOH   L 4 .   ? 1.772  25.468  -19.091 1   20.206 ? 309 HOH   C O    1 ? 
HETATM 6275 O O    . HOH   L 4 .   ? 23.842 41.045  -24.602 1   54.005 ? 310 HOH   C O    1 ? 
HETATM 6276 O O    . HOH   L 4 .   ? 29.725 29.042  -35.59  1   44.148 ? 311 HOH   C O    1 ? 
HETATM 6277 O O    . HOH   L 4 .   ? 27.654 22.416  -36.371 1   18.492 ? 312 HOH   C O    1 ? 
HETATM 6278 O O    . HOH   L 4 .   ? 15.661 16.093  -31.796 1   29.407 ? 313 HOH   C O    1 ? 
HETATM 6279 O O    . HOH   L 4 .   ? 31.147 34.308  -20.293 1   38.078 ? 314 HOH   C O    1 ? 
HETATM 6280 O O    . HOH   L 4 .   ? 20.062 22.014  -38.355 1   24.987 ? 315 HOH   C O    1 ? 
HETATM 6281 O O    . HOH   L 4 .   ? -2.714 17.053  -18.312 1   38.255 ? 316 HOH   C O    1 ? 
HETATM 6282 O O    . HOH   L 4 .   ? 29.309 16.201  -30.025 1   23.794 ? 317 HOH   C O    1 ? 
HETATM 6283 O O    . HOH   L 4 .   ? -1.963 24.941  -12.35  1   45.327 ? 318 HOH   C O    1 ? 
HETATM 6284 O O    . HOH   L 4 .   ? 15.052 38.609  -19.352 1   31.042 ? 319 HOH   C O    1 ? 
HETATM 6285 O O    . HOH   L 4 .   ? 21.619 25.135  -39.738 1   20.045 ? 320 HOH   C O    1 ? 
HETATM 6286 O O    . HOH   L 4 .   ? -0.236 25.972  -29.271 1   33.831 ? 321 HOH   C O    1 ? 
HETATM 6287 O O    . HOH   L 4 .   ? 7.133  22.961  -11.891 1   33.045 ? 322 HOH   C O    1 ? 
HETATM 6288 O O    . HOH   L 4 .   ? 21.644 23.039  -42.609 1   40.238 ? 323 HOH   C O    1 ? 
HETATM 6289 O O    . HOH   L 4 .   ? 27.744 13.508  -24.859 1   37.265 ? 324 HOH   C O    1 ? 
HETATM 6290 O O    . HOH   L 4 .   ? -1.544 26.937  -25.177 1   23.019 ? 325 HOH   C O    1 ? 
HETATM 6291 O O    . HOH   L 4 .   ? 13.65  15.616  -33.75  1   38.431 ? 326 HOH   C O    1 ? 
HETATM 6292 O O    . HOH   L 4 .   ? 28.087 15.842  -32.447 1   25.443 ? 327 HOH   C O    1 ? 
HETATM 6293 O O    . HOH   L 4 .   ? 0.601  26.562  -33.774 1   33.478 ? 328 HOH   C O    1 ? 
HETATM 6294 O O    . HOH   L 4 .   ? 28.93  30.241  -32.858 1   36.231 ? 329 HOH   C O    1 ? 
HETATM 6295 O O    . HOH   L 4 .   ? 18.204 15.688  -26.452 1   39.66  ? 330 HOH   C O    1 ? 
HETATM 6296 O O    . HOH   L 4 .   ? 17.196 35.188  -18.268 1   26.755 ? 331 HOH   C O    1 ? 
HETATM 6297 O O    . HOH   L 4 .   ? 0.651  13.829  -28.478 1   41.837 ? 332 HOH   C O    1 ? 
HETATM 6298 O O    . HOH   L 4 .   ? 26.765 35.131  -32.053 1   28.36  ? 333 HOH   C O    1 ? 
HETATM 6299 O O    . HOH   L 4 .   ? 7.599  27.297  -10.699 1   17.453 ? 334 HOH   C O    1 ? 
HETATM 6300 O O    . HOH   L 4 .   ? 8.46   20.848  -17.403 1   40.78  ? 335 HOH   C O    1 ? 
HETATM 6301 O O    . HOH   L 4 .   ? 8.877  19.539  -20.65  1   21.296 ? 336 HOH   C O    1 ? 
HETATM 6302 O O    . HOH   L 4 .   ? 7.037  13.203  -29.704 1   28.118 ? 337 HOH   C O    1 ? 
HETATM 6303 O O    . HOH   L 4 .   ? 3.804  23.688  -31.486 1   26.177 ? 338 HOH   C O    1 ? 
HETATM 6304 O O    . HOH   L 4 .   ? 3.941  25.241  -20.942 1   18.465 ? 339 HOH   C O    1 ? 
HETATM 6305 O O    . HOH   L 4 .   ? 32.065 20.125  -30.56  1   42.27  ? 340 HOH   C O    1 ? 
HETATM 6306 O O    . HOH   L 4 .   ? 15.423 20.96   -14.46  1   25.528 ? 341 HOH   C O    1 ? 
HETATM 6307 O O    . HOH   L 4 .   ? 18.196 11.252  -21.788 1   46.996 ? 342 HOH   C O    1 ? 
HETATM 6308 O O    . HOH   L 4 .   ? 4.447  26.074  -8.536  1   39.74  ? 343 HOH   C O    1 ? 
HETATM 6309 O O    . HOH   L 4 .   ? 25.526 21.42   -17.414 1   36.8   ? 344 HOH   C O    1 ? 
HETATM 6310 O O    . HOH   L 4 .   ? 16.251 21.773  -38.85  1   25.324 ? 345 HOH   C O    1 ? 
HETATM 6311 O O    . HOH   L 4 .   ? 3.639  24.008  -39.865 1   31.3   ? 346 HOH   C O    1 ? 
HETATM 6312 O O    . HOH   L 4 .   ? 6.878  18.738  -40.497 1   39.285 ? 347 HOH   C O    1 ? 
HETATM 6313 O O    . HOH   L 4 .   ? 21.413 16.38   -36.878 1   26.446 ? 348 HOH   C O    1 ? 
HETATM 6314 O O    . HOH   L 4 .   ? 13.255 25.831  -41.496 1   38.624 ? 349 HOH   C O    1 ? 
HETATM 6315 O O    . HOH   L 4 .   ? 27.264 36.463  -24.149 1   28.085 ? 350 HOH   C O    1 ? 
HETATM 6316 O O    . HOH   L 4 .   ? 19.206 18.352  -37.595 1   31.692 ? 351 HOH   C O    1 ? 
HETATM 6317 O O    . HOH   L 4 .   ? 13.745 36.31   -41.427 1   34.745 ? 352 HOH   C O    1 ? 
HETATM 6318 O O    . HOH   L 4 .   ? 9.364  32.663  -37.417 1   26.417 ? 353 HOH   C O    1 ? 
HETATM 6319 O O    . HOH   L 4 .   ? 13.703 30.951  -42.744 1   42.732 ? 354 HOH   C O    1 ? 
HETATM 6320 O O    . HOH   L 4 .   ? 0.259  20.002  -25.683 1   24.152 ? 355 HOH   C O    1 ? 
HETATM 6321 O O    . HOH   L 4 .   ? 18.297 24.057  -15.371 1   20.9   ? 356 HOH   C O    1 ? 
HETATM 6322 O O    . HOH   L 4 .   ? -0.565 29.869  -24.489 1   38.055 ? 357 HOH   C O    1 ? 
HETATM 6323 O O    . HOH   L 4 .   ? 24.196 36.56   -34.218 1   39.251 ? 358 HOH   C O    1 ? 
HETATM 6324 O O    . HOH   L 4 .   ? 1.839  25.616  -11.406 1   26.441 ? 359 HOH   C O    1 ? 
HETATM 6325 O O    . HOH   L 4 .   ? 1.073  19.296  -16.205 1   42.648 ? 360 HOH   C O    1 ? 
HETATM 6326 O O    . HOH   L 4 .   ? 23.284 29.001  -17.806 1   20.918 ? 361 HOH   C O    1 ? 
HETATM 6327 O O    . HOH   L 4 .   ? 11.604 32.082  -42.299 1   43.798 ? 362 HOH   C O    1 ? 
HETATM 6328 O O    . HOH   L 4 .   ? 9.824  14.157  -29.888 1   36.081 ? 363 HOH   C O    1 ? 
HETATM 6329 O O    . HOH   L 4 .   ? 8.06   30.001  -11.424 1   18.95  ? 364 HOH   C O    1 ? 
HETATM 6330 O O    . HOH   L 4 .   ? 18.593 32.931  -18.594 1   31.807 ? 365 HOH   C O    1 ? 
HETATM 6331 O O    . HOH   L 4 .   ? 16.588 40.736  -25.114 1   29.028 ? 366 HOH   C O    1 ? 
HETATM 6332 O O    . HOH   L 4 .   ? 16.528 43.407  -22.086 1   35.522 ? 367 HOH   C O    1 ? 
HETATM 6333 O O    . HOH   L 4 .   ? 20.943 31.503  -43.466 1   32.005 ? 368 HOH   C O    1 ? 
HETATM 6334 O O    . HOH   L 4 .   ? 15.979 30.37   -13.158 1   19.917 ? 369 HOH   C O    1 ? 
HETATM 6335 O O    . HOH   L 4 .   ? -2.557 29.01   -14.41  1   74.845 ? 370 HOH   C O    1 ? 
HETATM 6336 O O    . HOH   L 4 .   ? 3.068  19.402  -39.317 1   40.23  ? 371 HOH   C O    1 ? 
HETATM 6337 O O    . HOH   L 4 .   ? 34.768 12.254  -22.148 1   42.167 ? 372 HOH   C O    1 ? 
HETATM 6338 O O    . HOH   L 4 .   ? 30.049 25.501  -43.009 1   37.673 ? 373 HOH   C O    1 ? 
HETATM 6339 O O    . HOH   L 4 .   ? 22.681 38.715  -35.618 1   29.156 ? 374 HOH   C O    1 ? 
HETATM 6340 O O    . HOH   L 4 .   ? 2.499  36.151  -34.186 1   32.334 ? 375 HOH   C O    1 ? 
HETATM 6341 O O    . HOH   L 4 .   ? 18.438 35.139  -29.733 1   27.517 ? 376 HOH   C O    1 ? 
HETATM 6342 O O    . HOH   L 4 .   ? 8.33   35.771  -40.98  1   43.569 ? 377 HOH   C O    1 ? 
HETATM 6343 O O    . HOH   L 4 .   ? -1.178 24.716  -35.216 1   32.411 ? 378 HOH   C O    1 ? 
HETATM 6344 O O    . HOH   L 4 .   ? 24.911 23.699  -16.998 1   31.958 ? 379 HOH   C O    1 ? 
HETATM 6345 O O    . HOH   L 4 .   ? 16.393 33.039  -13.176 1   34.752 ? 380 HOH   C O    1 ? 
HETATM 6346 O O    . HOH   L 4 .   ? 21.89  43.491  -23.675 1   35.771 ? 381 HOH   C O    1 ? 
HETATM 6347 O O    . HOH   L 4 .   ? -2.148 21.777  -34.529 1   33.476 ? 382 HOH   C O    1 ? 
HETATM 6348 O O    . HOH   L 4 .   ? 7.519  21.579  -14.879 1   42.541 ? 383 HOH   C O    1 ? 
HETATM 6349 O O    . HOH   L 4 .   ? 17.655 29.385  -14.999 1   31.693 ? 384 HOH   C O    1 ? 
HETATM 6350 O O    . HOH   L 4 .   ? 14.942 14.337  -27     1   37.168 ? 385 HOH   C O    1 ? 
HETATM 6351 O O    . HOH   L 4 .   ? 17.965 21.976  -13.517 1   23.804 ? 386 HOH   C O    1 ? 
HETATM 6352 O O    . HOH   L 4 .   ? 30.373 22.452  -35.914 1   28.012 ? 387 HOH   C O    1 ? 
HETATM 6353 O O    . HOH   L 4 .   ? 28.793 19.298  -16.527 1   36.123 ? 388 HOH   C O    1 ? 
HETATM 6354 O O    . HOH   L 4 .   ? 6.627  9.079   -38.059 1   34.296 ? 389 HOH   C O    1 ? 
HETATM 6355 O O    . HOH   L 4 .   ? 1.103  18.425  -27.586 1   32.993 ? 390 HOH   C O    1 ? 
HETATM 6356 O O    . HOH   L 4 .   ? -3.301 27.539  -12.805 1   37.71  ? 391 HOH   C O    1 ? 
HETATM 6357 O O    . HOH   L 4 .   ? 19.91  24.124  -41.693 1   30.37  ? 392 HOH   C O    1 ? 
HETATM 6358 O O    . HOH   L 4 .   ? 29.277 34.609  -25.111 1   30.177 ? 393 HOH   C O    1 ? 
HETATM 6359 O O    . HOH   L 4 .   ? 19.098 31.253  -16.417 1   29.761 ? 394 HOH   C O    1 ? 
HETATM 6360 O O    . HOH   L 4 .   ? 31.07  33.785  -23.307 1   31.036 ? 395 HOH   C O    1 ? 
HETATM 6361 O O    . HOH   L 4 .   ? 30.2   29.985  -26.609 1   46.512 ? 396 HOH   C O    1 ? 
HETATM 6362 O O    . HOH   L 4 .   ? 18.151 42.785  -24.335 1   28.263 ? 397 HOH   C O    1 ? 
HETATM 6363 O O    . HOH   L 4 .   ? 9.815  31.409  -9.903  1   26.004 ? 398 HOH   C O    1 ? 
HETATM 6364 O O    . HOH   L 4 .   ? 30.446 30.991  -20.924 1   33.711 ? 399 HOH   C O    1 ? 
HETATM 6365 O O    . HOH   L 4 .   ? 17.815 25.735  -43.389 1   38.441 ? 400 HOH   C O    1 ? 
HETATM 6366 O O    . HOH   L 4 .   ? 9.163  32.073  -7.321  1   26.869 ? 401 HOH   C O    1 ? 
HETATM 6367 O O    . HOH   L 4 .   ? 31.12  31.01   -23.463 1   28.069 ? 402 HOH   C 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 1   ? 0.280032  0.271118  0.561096  0.00803826  -0.151827   0.0851223   13  GLY   A N    
2    C CA   . GLY   A 1   ? 0.281922  0.234228  0.563578  0.00266358  -0.1516     0.06877     13  GLY   A CA   
3    C C    . GLY   A 1   ? 0.297933  0.266924  0.540976  -0.00365166 -0.13854    0.0604555   13  GLY   A C    
4    O O    . GLY   A 1   ? 0.360285  0.266269  0.532043  0.037986    -0.146056   0.0300434   13  GLY   A O    
5    H H1   . GLY   A 1   ? 0.299029  0.283578  0.540522  0.0117551   -0.124724   0.0751483   13  GLY   A H1   
6    H H2   . GLY   A 1   ? 0.2987    0.281728  0.540357  0.0123212   -0.124491   0.0750549   13  GLY   A H2   
7    H H3   . GLY   A 1   ? 0.298936  0.281526  0.534159  0.0122784   -0.124991   0.0733534   13  GLY   A H3   
8    H HA2  . GLY   A 1   ? 0.300039  0.270475  0.535036  0.00838374  -0.121316   0.0681772   13  GLY   A HA2  
9    H HA3  . GLY   A 1   ? 0.300524  0.270878  0.528084  0.00875103  -0.121976   0.0653405   13  GLY   A HA3  
10   N N    . ALA   A 2   ? 0.251254  0.235755  0.47294   -0.0124154  -0.0982496  0.0469322   14  ALA   A N    
11   C CA   . ALA   A 2   ? 0.235551  0.216859  0.388544  -0.0166692  -0.0676069  0.0418588   14  ALA   A CA   
12   C C    . ALA   A 2   ? 0.223001  0.226135  0.385219  -0.0109484  -0.0459145  0.054311    14  ALA   A C    
13   O O    . ALA   A 2   ? 0.22061   0.256767  0.377658  -0.0258457  -0.0331311  0.0376125   14  ALA   A O    
14   C CB   . ALA   A 2   ? 0.257067  0.235607  0.3669    -0.0194519  -0.0490943  0.017937    14  ALA   A CB   
15   H H    . ALA   A 2   ? 0.267528  0.248692  0.445036  -0.00822506 -0.0824604  0.0432882   14  ALA   A H    
16   H HA   . ALA   A 2   ? 0.246832  0.236174  0.378997  -0.0108187  -0.0518553  0.0372495   14  ALA   A HA   
17   H HB1  . ALA   A 2   ? 0.257084  0.242234  0.362105  -0.0141608  -0.0449712  0.0230108   14  ALA   A HB1  
18   H HB2  . ALA   A 2   ? 0.256241  0.241607  0.357601  -0.0143165  -0.0433503  0.0224893   14  ALA   A HB2  
19   H HB3  . ALA   A 2   ? 0.257661  0.243269  0.361953  -0.0158594  -0.0447768  0.0233632   14  ALA   A HB3  
20   N N    . PRO   A 3   ? 0.236312  0.236503  0.39485   0.0124374   -0.0363425  0.0325743   15  PRO   A N    
21   C CA   . PRO   A 3   ? 0.238931  0.252357  0.420401  -0.00120799 -0.0677686  0.0163044   15  PRO   A CA   
22   C C    . PRO   A 3   ? 0.279427  0.235867  0.455566  0.0199804   -0.117636   0.0271532   15  PRO   A C    
23   O O    . PRO   A 3   ? 0.329401  0.201633  0.444334  0.0260394   -0.0771018  0.0476524   15  PRO   A O    
24   C CB   . PRO   A 3   ? 0.277447  0.265549  0.406482  0.0181656   -0.0782877  0.0149999   15  PRO   A CB   
25   C CG   . PRO   A 3   ? 0.259248  0.284953  0.416543  0.00174777  -0.071872   0.0317179   15  PRO   A CG   
26   C CD   . PRO   A 3   ? 0.239154  0.27546   0.413409  -0.00903499 -0.0421544  0.0392882   15  PRO   A CD   
27   H HA   . PRO   A 3   ? 0.261659  0.260126  0.406794  0.00805684  -0.0587521  0.0208063   15  PRO   A HA   
28   H HB2  . PRO   A 3   ? 0.273211  0.275247  0.401995  0.0101473   -0.0620933  0.0184086   15  PRO   A HB2  
29   H HB3  . PRO   A 3   ? 0.272306  0.275693  0.401957  0.0103294   -0.0620767  0.0181096   15  PRO   A HB3  
30   H HG2  . PRO   A 3   ? 0.26792   0.286422  0.403749  0.0031944   -0.0559231  0.0289842   15  PRO   A HG2  
31   H HG3  . PRO   A 3   ? 0.264874  0.284903  0.400475  0.00485215  -0.0553562  0.0283029   15  PRO   A HG3  
32   H HD2  . PRO   A 3   ? 0.254105  0.277051  0.399037  -0.00220879 -0.0374212  0.0326096   15  PRO   A HD2  
33   H HD3  . PRO   A 3   ? 0.24836   0.273801  0.397715  -0.00306034 -0.0388962  0.0328092   15  PRO   A HD3  
34   N N    . ALA   A 4   ? 0.275765  0.246007  0.535879  0.00012966  -0.139082   0.0383586   16  ALA   A N    
35   C CA   . ALA   A 4   ? 0.254781  0.258691  0.500967  0.0196036   -0.148175   0.0366641   16  ALA   A CA   
36   C C    . ALA   A 4   ? 0.199039  0.297001  0.533696  0.025246    -0.112662   0.0397867   16  ALA   A C    
37   O O    . ALA   A 4   ? 0.185007  0.269265  0.499964  0.0199959   -0.0626963  0.0325602   16  ALA   A O    
38   C CB   . ALA   A 4   ? 0.274311  0.241326  0.597204  0.00795895  -0.148154   0.0491032   16  ALA   A CB   
39   H H    . ALA   A 4   ? 0.285757  0.261979  0.490398  0.0124074   -0.111482   0.0341603   16  ALA   A H    
40   H HA   . ALA   A 4   ? 0.267877  0.27652   0.510263  0.0179929   -0.114762   0.0404754   16  ALA   A HA   
41   H HB1  . ALA   A 4   ? 0.28751   0.271173  0.546515  0.0157185   -0.120755   0.0469082   16  ALA   A HB1  
42   H HB2  . ALA   A 4   ? 0.285806  0.269222  0.545309  0.0142004   -0.119449   0.0475838   16  ALA   A HB2  
43   H HB3  . ALA   A 4   ? 0.286992  0.271242  0.54454   0.0157323   -0.120627   0.0463518   16  ALA   A HB3  
44   N N    . THR   A 5   ? 0.219193  0.298937  0.467866  -0.00833299 -0.103464   0.0488504   17  THR   A N    
45   C CA   . THR   A 5   ? 0.302095  0.281092  0.403546  0.0219177   -0.105764   0.0395477   17  THR   A CA   
46   C C    . THR   A 5   ? 0.302199  0.26628   0.328012  0.0143473   -0.117336   0.0585579   17  THR   A C    
47   O O    . THR   A 5   ? 0.269018  0.276037  0.429733  0.0230935   -0.117035   0.0474861   17  THR   A O    
48   C CB   . THR   A 5   ? 0.298657  0.328244  0.426048  0.0391676   -0.074878   0.0619664   17  THR   A CB   
49   O OG1  . THR   A 5   ? 0.330569  0.347211  0.43902   0.0187898   -0.0624899  0.0888926   17  THR   A OG1  
50   C CG2  . THR   A 5   ? 0.336632  0.392683  0.44959   0.0223514   -0.0407175  0.0692829   17  THR   A CG2  
51   H H    . THR   A 5   ? 0.249019  0.298497  0.450518  0.0064995   -0.0897422  0.0392899   17  THR   A H    
52   H HA   . THR   A 5   ? 0.289479  0.295217  0.395367  0.0161543   -0.0868274  0.0437415   17  THR   A HA   
53   H HB   . THR   A 5   ? 0.31383   0.334779  0.41513   0.0257257   -0.0637646  0.0559986   17  THR   A HB   
54   H HG1  . THR   A 5   ? 0.368936  0.368936  0.368936  0           0           0           17  THR   A HG1  
55   H HG21 . THR   A 5   ? 0.334943  0.378684  0.437697  0.0246291   -0.0425422  0.057691    17  THR   A HG21 
56   H HG22 . THR   A 5   ? 0.335876  0.377796  0.442281  0.0236989   -0.0387462  0.058094    17  THR   A HG22 
57   H HG23 . THR   A 5   ? 0.334076  0.385572  0.436816  0.0202922   -0.0417977  0.0560391   17  THR   A HG23 
58   N N    . VAL   A 6   ? 0.228793  0.247148  0.285809  0.00371163  -0.0590892  0.054227    18  VAL   A N    
59   C CA   . VAL   A 6   ? 0.205121  0.213572  0.271696  -0.00746313 -0.0720596  0.0383802   18  VAL   A CA   
60   C C    . VAL   A 6   ? 0.211881  0.236607  0.330674  -0.00973277 -0.0998829  0.0235327   18  VAL   A C    
61   O O    . VAL   A 6   ? 0.253101  0.269277  0.336824  0.0103594   -0.115791   0.00098126  18  VAL   A O    
62   C CB   . VAL   A 6   ? 0.204981  0.233666  0.259159  -0.0342047  -0.0513882  0.021573    18  VAL   A CB   
63   C CG1  . VAL   A 6   ? 0.22192   0.25321   0.251978  -0.025285   -0.0649514  0.0397471   18  VAL   A CG1  
64   C CG2  . VAL   A 6   ? 0.217775  0.2005    0.273759  -0.0417921  -0.0271087  0.0181025   18  VAL   A CG2  
65   H H    . VAL   A 6   ? 0.23736   0.244936  0.287426  0.00208601  -0.0632945  0.0446272   18  VAL   A H    
66   H HA   . VAL   A 6   ? 0.210877  0.229489  0.274685  -0.00748527 -0.0582594  0.0302376   18  VAL   A HA   
67   H HB   . VAL   A 6   ? 0.211534  0.228536  0.257967  -0.0240654  -0.044077   0.0231316   18  VAL   A HB   
68   H HG11 . VAL   A 6   ? 0.220833  0.247705  0.252594  -0.0241805  -0.0529866  0.0298753   18  VAL   A HG11 
69   H HG12 . VAL   A 6   ? 0.222262  0.247941  0.251922  -0.0222565  -0.0523902  0.0292852   18  VAL   A HG12 
70   H HG13 . VAL   A 6   ? 0.219813  0.247488  0.249715  -0.0238282  -0.0534003  0.0295684   18  VAL   A HG13 
71   H HG21 . VAL   A 6   ? 0.216297  0.213876  0.267824  -0.0335018  -0.0271281  0.0168133   18  VAL   A HG21 
72   H HG22 . VAL   A 6   ? 0.215781  0.211641  0.265499  -0.0323994  -0.0287057  0.0178523   18  VAL   A HG22 
73   H HG23 . VAL   A 6   ? 0.215094  0.213715  0.264411  -0.0330527  -0.0275775  0.0167079   18  VAL   A HG23 
74   N N    . THR   A 7   ? 0.256427  0.271039  0.393085  -0.00908506 -0.106959   0.014445    19  THR   A N    
75   C CA   . THR   A 7   ? 0.261111  0.294727  0.409052  -0.0155602  -0.112586   -0.00179669 19  THR   A CA   
76   C C    . THR   A 7   ? 0.346476  0.309892  0.431489  0.00515226  -0.151211   -0.00526501 19  THR   A C    
77   O O    . THR   A 7   ? 0.386329  0.271822  0.440793  0.0279326   -0.201857   -0.0291102  19  THR   A O    
78   C CB   . THR   A 7   ? 0.234562  0.310604  0.459572  0.00519209  -0.103135   -0.012347   19  THR   A CB   
79   O OG1  . THR   A 7   ? 0.187931  0.38005   0.486984  -0.0105799  -0.0824683  0.00364166  19  THR   A OG1  
80   C CG2  . THR   A 7   ? 0.228847  0.320747  0.462094  0.0181638   -0.101424   -0.0346445  19  THR   A CG2  
81   H H    . THR   A 7   ? 0.252712  0.275472  0.369785  -0.00743779 -0.0901953  0.0145408   19  THR   A H    
82   H HA   . THR   A 7   ? 0.276677  0.300842  0.406848  -0.00414677 -0.0987919  0.00091523  19  THR   A HA   
83   H HB   . THR   A 7   ? 0.246811  0.323766  0.441497  0.00392226  -0.08367    -0.00555274 19  THR   A HB   
84   H HG1  . THR   A 7   ? 0.352218  0.352218  0.352218  0           0           0           19  THR   A HG1  
85   H HG21 . THR   A 7   ? 0.246753  0.324157  0.445955  0.0173636   -0.0828786  -0.0222312  19  THR   A HG21 
86   H HG22 . THR   A 7   ? 0.248118  0.32751   0.446598  0.0163422   -0.0837675  -0.0223626  19  THR   A HG22 
87   H HG23 . THR   A 7   ? 0.248502  0.324967  0.443156  0.0161565   -0.0842112  -0.0218802  19  THR   A HG23 
88   N N    . GLU   A 8   ? 0.390956  0.318856  0.355242  0.0364408   -0.153833   0.0207604   20  GLU   A N    
89   C CA   . GLU   A 8   ? 0.404932  0.33339   0.362367  0.0664174   -0.138774   -0.0002543  20  GLU   A CA   
90   C C    . GLU   A 8   ? 0.458057  0.396545  0.347905  0.101433    -0.146115   -0.0416724  20  GLU   A C    
91   O O    . GLU   A 8   ? 0.451097  0.398611  0.51311   0.151996    -0.217584   -0.108012   20  GLU   A O    
92   C CB   . GLU   A 8   ? 0.434081  0.312368  0.332741  -0.0267216  -0.054975   0.0897632   20  GLU   A CB   
93   H H    . GLU   A 8   ? 0.376009  0.325801  0.374078  0.031048    -0.127834   0.0101796   20  GLU   A H    
94   H HA   . GLU   A 8   ? 0.409591  0.342254  0.357883  0.043596    -0.110321   0.0120551   20  GLU   A HA   
95   H HB2  . GLU   A 8   ? 0.361717  0.361717  0.361717  0           0           0           20  GLU   A HB2  
96   H HB3  . GLU   A 8   ? 0.361717  0.361717  0.361717  0           0           0           20  GLU   A HB3  
97   N N    . GLN   A 9   ? 0.394276  0.349245  0.317093  0.132338    -0.116981   0.00605057  21  GLN   A N    
98   C CA   . GLN   A 9   ? 0.427028  0.380222  0.330316  0.107762    -0.0673426  0.0320873   21  GLN   A CA   
99   C C    . GLN   A 9   ? 0.362049  0.324509  0.265122  0.0730146   -0.0495825  0.0212833   21  GLN   A C    
100  O O    . GLN   A 9   ? 0.348791  0.421341  0.17443   0.0527898   0.0140708   0.0200259   21  GLN   A O    
101  C CB   . GLN   A 9   ? 0.456436  0.374767  0.371871  0.1166      -0.036085   0.0678509   21  GLN   A CB   
102  C CG   . GLN   A 9   ? 0.522654  0.441565  0.446656  0.120616    -0.0292031  0.0894364   21  GLN   A CG   
103  C CD   . GLN   A 9   ? 0.549556  0.508502  0.491263  0.0872121   0.0406076   0.0781716   21  GLN   A CD   
104  O OE1  . GLN   A 9   ? 0.714876  0.537544  0.596097  0.0535776   0.0206679   0.12957     21  GLN   A OE1  
105  N NE2  . GLN   A 9   ? 0.616424  0.54231   0.49634   0.0663573   0.0583774   0.0472344   21  GLN   A NE2  
106  H H    . GLN   A 9   ? 0.4042    0.362169  0.32874   0.10231     -0.0967814  -0.00020772 21  GLN   A H    
107  H HA   . GLN   A 9   ? 0.406663  0.365908  0.332323  0.0957263   -0.0566506  0.0286143   21  GLN   A HA   
108  H HB2  . GLN   A 9   ? 0.448745  0.389787  0.377682  0.100112    -0.0352223  0.0547872   21  GLN   A HB2  
109  H HB3  . GLN   A 9   ? 0.448146  0.390849  0.37571   0.100658    -0.0331437  0.053775    21  GLN   A HB3  
110  H HG2  . GLN   A 9   ? 0.504515  0.442026  0.442132  0.0986704   -0.0130708  0.0733722   21  GLN   A HG2  
111  H HG3  . GLN   A 9   ? 0.508719  0.442005  0.441196  0.0952754   -0.0171675  0.0730986   21  GLN   A HG3  
112  H HE21 . GLN   A 9   ? 0.591535  0.537586  0.502743  0.065324    0.0449876   0.0505262   21  GLN   A HE21 
113  H HE22 . GLN   A 9   ? 0.586666  0.537817  0.499834  0.0637856   0.0441278   0.0521013   21  GLN   A HE22 
114  N N    . GLY   A 10  ? 0.281419  0.274544  0.237416  0.0239313   -0.0860097  0.0177409   22  GLY   A N    
115  C CA   . GLY   A 10  ? 0.284583  0.235109  0.24454   0.00693742  -0.0705356  -0.0169545  22  GLY   A CA   
116  C C    . GLY   A 10  ? 0.239284  0.231393  0.235868  0.00176579  -0.0386183  -0.0380735  22  GLY   A C    
117  O O    . GLY   A 10  ? 0.246445  0.262324  0.25004   -0.0126691  -0.0245864  -0.0520798  22  GLY   A O    
118  H H    . GLY   A 10  ? 0.293201  0.273131  0.247945  0.026566    -0.0652764  0.00892187  22  GLY   A H    
119  H HA2  . GLY   A 10  ? 0.272885  0.245893  0.242012  0.00966167  -0.0569245  -0.012727   22  GLY   A HA2  
120  H HA3  . GLY   A 10  ? 0.270545  0.245289  0.243776  0.00854008  -0.057353   -0.0121431  22  GLY   A HA3  
121  N N    . GLU   A 11  ? 0.206858  0.229556  0.200122  -0.0119392  -0.0176658  -0.039852   23  GLU   A N    
122  C CA   . GLU   A 11  ? 0.211143  0.230899  0.255324  -0.0112139  -0.0106196  -0.0178725  23  GLU   A CA   
123  C C    . GLU   A 11  ? 0.183807  0.205052  0.241209  0.0127639   -0.0363843  -0.0271076  23  GLU   A C    
124  O O    . GLU   A 11  ? 0.18097   0.189911  0.246326  -0.0210468  -0.0418427  -0.0215956  23  GLU   A O    
125  C CB   . GLU   A 11  ? 0.197527  0.206965  0.287311  -0.00656524 -0.00663238 -0.0368094  23  GLU   A CB   
126  C CG   . GLU   A 11  ? 0.309429  0.246433  0.366441  -0.0321526  0.0113945   -0.0214647  23  GLU   A CG   
127  H H    . GLU   A 11  ? 0.210738  0.22685   0.21819   -0.00975045 -0.0187635  -0.0300308  23  GLU   A H    
128  H HA   . GLU   A 11  ? 0.20978   0.224467  0.247383  -0.00306289 -0.0107293  -0.0218057  23  GLU   A HA   
129  H HB2  . GLU   A 11  ? 0.219201  0.221201  0.281539  -0.010631   -0.00393355 -0.0246427  23  GLU   A HB2  
130  H HB3  . GLU   A 11  ? 0.215526  0.219109  0.278701  -0.0135044  -0.00683498 -0.027055   23  GLU   A HB3  
131  H HG2  . GLU   A 11  ? 0.314982  0.314982  0.314982  0           0           0           23  GLU   A HG2  
132  H HG3  . GLU   A 11  ? 0.314982  0.314982  0.314982  0           0           0           23  GLU   A HG3  
133  N N    . ASP   A 12  ? 0.183049  0.208752  0.248317  0.0069574   -0.0443496  -0.0227205  24  ASP   A N    
134  C CA   . ASP   A 12  ? 0.167391  0.208761  0.254068  0.00800961  -0.0218511  -0.0340963  24  ASP   A CA   
135  C C    . ASP   A 12  ? 0.2088    0.161683  0.231904  -0.003352   -0.0324378  -0.0392917  24  ASP   A C    
136  O O    . ASP   A 12  ? 0.249319  0.193667  0.250925  -0.00580896 -0.00952129 -0.066171   24  ASP   A O    
137  C CB   . ASP   A 12  ? 0.196439  0.198033  0.261458  0.00281383  -0.03257    -0.0479364  24  ASP   A CB   
138  C CG   . ASP   A 12  ? 0.180067  0.211576  0.295567  -0.011746   -0.0380706  -0.0508708  24  ASP   A CG   
139  O OD1  . ASP   A 12  ? 0.219812  0.271717  0.313275  -0.0396811  -0.0508371  -0.0364455  24  ASP   A OD1  
140  O OD2  . ASP   A 12  ? 0.17509   0.236445  0.332453  -0.0353797  -0.0386597  -0.056562   24  ASP   A OD2  
141  H H    . ASP   A 12  ? 0.184227  0.209662  0.241732  0.00730257  -0.0320739  -0.0228557  24  ASP   A H    
142  H HA   . ASP   A 12  ? 0.187481  0.200721  0.246132  0.00398861  -0.0254922  -0.0284561  24  ASP   A HA   
143  H HB2  . ASP   A 12  ? 0.190746  0.20687   0.260934  0.00131054  -0.0256417  -0.03896    24  ASP   A HB2  
144  H HB3  . ASP   A 12  ? 0.190644  0.20503   0.258263  0.00178851  -0.02531    -0.0408532  24  ASP   A HB3  
145  N N    . ILE   A 13  ? 0.17711   0.155181  0.232427  -0.0136494  -0.0316693  -0.033413   25  ILE   A N    
146  C CA   . ILE   A 13  ? 0.164397  0.160615  0.215078  0.0016342   -0.0158816  -0.0320731  25  ILE   A CA   
147  C C    . ILE   A 13  ? 0.173736  0.182312  0.250044  -0.00896455 -0.0273407  0.00611335  25  ILE   A C    
148  O O    . ILE   A 13  ? 0.221824  0.204926  0.284365  0.00122312  -0.0295728  0.0258603   25  ILE   A O    
149  C CB   . ILE   A 13  ? 0.143114  0.18201   0.219977  -0.00454334 -0.0116814  -0.00743115 25  ILE   A CB   
150  C CG1  . ILE   A 13  ? 0.133618  0.199704  0.188332  -0.0292335  0.00071693  -0.0215323  25  ILE   A CG1  
151  C CG2  . ILE   A 13  ? 0.115339  0.222231  0.262767  -0.0204381  -0.00716684 -0.00407956 25  ILE   A CG2  
152  C CD1  . ILE   A 13  ? 0.131367  0.222951  0.191907  -0.0302623  0.00636334  -0.00651204 25  ILE   A CD1  
153  H H    . ILE   A 13  ? 0.181549  0.165043  0.223729  -0.00621729 -0.022834   -0.02799    25  ILE   A H    
154  H HA   . ILE   A 13  ? 0.166449  0.166857  0.212246  -0.00157274 -0.0137491  -0.0221872  25  ILE   A HA   
155  H HB   . ILE   A 13  ? 0.143781  0.186589  0.214544  -0.00655702 -0.00739349 -0.0106188  25  ILE   A HB   
156  H HG12 . ILE   A 13  ? 0.142628  0.198854  0.193668  -0.0214978  0.00103966  -0.0126757  25  ILE   A HG12 
157  H HG13 . ILE   A 13  ? 0.141016  0.197935  0.192798  -0.020834   0.00120789  -0.0116309  25  ILE   A HG13 
158  H HG21 . ILE   A 13  ? 0.133119  0.208367  0.242862  -0.0153634  -0.00605971 -0.00332509 25  ILE   A HG21 
159  H HG22 . ILE   A 13  ? 0.136792  0.210351  0.244002  -0.0135077  -0.00493221 -0.00287308 25  ILE   A HG22 
160  H HG23 . ILE   A 13  ? 0.135809  0.211549  0.246147  -0.0135527  -0.00597758 -0.00069656 25  ILE   A HG23 
161  H HD11 . ILE   A 13  ? 0.140201  0.212192  0.190854  -0.0257507  0.00621082  -0.00814163 25  ILE   A HD11 
162  H HD12 . ILE   A 13  ? 0.140025  0.212605  0.191853  -0.0256635  0.00537506  -0.00739986 25  ILE   A HD12 
163  H HD13 . ILE   A 13  ? 0.139489  0.211868  0.190636  -0.0255545  0.00596016  -0.0076919  25  ILE   A HD13 
164  N N    . THR   A 14  ? 0.175881  0.210083  0.270053  -0.0258386  -0.0519914  0.00551274  26  THR   A N    
165  C CA   . THR   A 14  ? 0.20692   0.198132  0.27251   -0.0255778  -0.047145   0.00091612  26  THR   A CA   
166  C C    . THR   A 14  ? 0.218298  0.198477  0.318921  -0.0454145  -0.0564811  -0.00907108 26  THR   A C    
167  O O    . THR   A 14  ? 0.248909  0.193607  0.284867  -0.0361965  -0.0010572  0.00100255  26  THR   A O    
168  C CB   . THR   A 14  ? 0.219226  0.210086  0.296091  -0.0327774  -0.0471362  -0.0170886  26  THR   A CB   
169  O OG1  . THR   A 14  ? 0.251897  0.207894  0.367697  -0.0608244  -0.0435285  -0.0457748  26  THR   A OG1  
170  C CG2  . THR   A 14  ? 0.222548  0.225351  0.299556  -0.0816684  -0.0512316  -0.0181879  26  THR   A CG2  
171  H H    . THR   A 14  ? 0.187465  0.203277  0.259786  -0.0179611  -0.0375401  0.00437177  26  THR   A H    
172  H HA   . THR   A 14  ? 0.207015  0.207172  0.276241  -0.0252109  -0.0436038  -0.00132019 26  THR   A HA   
173  H HB   . THR   A 14  ? 0.226525  0.215196  0.296318  -0.0389988  -0.0395655  -0.0138416  26  THR   A HB   
174  H HG1  . THR   A 14  ? 0.278127  0.278127  0.278127  0           0           0           26  THR   A HG1  
175  H HG21 . THR   A 14  ? 0.22729   0.225803  0.292467  -0.0573243  -0.0428429  -0.0140512  26  THR   A HG21 
176  H HG22 . THR   A 14  ? 0.225116  0.22583   0.290963  -0.0565513  -0.0420612  -0.0139611  26  THR   A HG22 
177  H HG23 . THR   A 14  ? 0.225288  0.225905  0.29109   -0.0572752  -0.0428372  -0.0141932  26  THR   A HG23 
178  N N    . SER   A 15  ? 0.231745  0.198062  0.394028  -0.00073178 -0.0587567  0.00276298  27  SER   A N    
179  C CA   . SER   A 15  ? 0.249284  0.210671  0.428601  -0.00604107 -0.0509417  -0.00867113 27  SER   A CA   
180  C C    . SER   A 15  ? 0.287443  0.196144  0.421928  -0.0336808  -0.0658332  -0.0158885  27  SER   A C    
181  O O    . SER   A 15  ? 0.355845  0.235474  0.459288  -0.0171579  -0.112242   -0.0360936  27  SER   A O    
182  C CB   . SER   A 15  ? 0.259534  0.179078  0.492048  0.0225055   -0.0395828  0.025286    27  SER   A CB   
183  O OG   . SER   A 15  ? 0.455511  0.276921  0.623134  0.013662    -0.0758384  0.00841439  27  SER   A OG   
184  H H    . SER   A 15  ? 0.238634  0.213945  0.369215  -0.00869031 -0.0446756  0.0015188   27  SER   A H    
185  H HA   . SER   A 15  ? 0.261842  0.217961  0.411934  0.00013313  -0.0394453  0.00248936  27  SER   A HA   
186  H HB2  . SER   A 15  ? 0.290424  0.221458  0.466161  0.0183712   -0.0314335  0.0167841   27  SER   A HB2  
187  H HB3  . SER   A 15  ? 0.293054  0.211105  0.469181  0.0180806   -0.0350372  0.0131453   27  SER   A HB3  
188  H HG   . SER   A 15  ? 0.44784   0.44784   0.44784   0           0           0           27  SER   A HG   
189  N N    . LYS   A 16  ? 0.277358  0.18325   0.417168  -0.00091829 -0.0509999  -0.0534015  28  LYS   A N    
190  C CA   . LYS   A 16  ? 0.290608  0.237486  0.453691  -0.0375097  -0.0671505  -0.0296296  28  LYS   A CA   
191  C C    . LYS   A 16  ? 0.227894  0.227043  0.480013  -0.0466618  -0.0741215  -0.0415976  28  LYS   A C    
192  O O    . LYS   A 16  ? 0.18206   0.243463  0.55421   -0.0692748  -0.0681085  -0.00146754 28  LYS   A O    
193  C CB   . LYS   A 16  ? 0.326515  0.299541  0.481591  -0.101663   -0.0357212  0.019687    28  LYS   A CB   
194  C CG   . LYS   A 16  ? 0.37057   0.422736  0.515218  -0.102879   -0.0547846  0.0544446   28  LYS   A CG   
195  C CD   . LYS   A 16  ? 0.489912  0.555127  0.576467  -0.137001   -0.0509377  0.0964738   28  LYS   A CD   
196  C CE   . LYS   A 16  ? 0.488132  0.646724  0.600933  -0.0838249  -0.0882607  0.165059    28  LYS   A CE   
197  N NZ   . LYS   A 16  ? 0.439018  0.647318  0.679918  -0.0381783  -0.109373   0.154254    28  LYS   A NZ   
198  H H    . LYS   A 16  ? 0.285432  0.211952  0.400562  -0.0132308  -0.048462   -0.0369928  28  LYS   A H    
199  H HA   . LYS   A 16  ? 0.289131  0.247947  0.44091   -0.0317812  -0.0476988  -0.0223083  28  LYS   A HA   
200  H HB2  . LYS   A 16  ? 0.329893  0.308951  0.465763  -0.0720194  -0.0380679  0.0117447   28  LYS   A HB2  
201  H HB3  . LYS   A 16  ? 0.33133   0.315539  0.467996  -0.0711126  -0.0376763  0.0138926   28  LYS   A HB3  
202  H HG2  . LYS   A 16  ? 0.381634  0.42024   0.505805  -0.0909655  -0.0395049  0.0485823   28  LYS   A HG2  
203  H HG3  . LYS   A 16  ? 0.37668   0.414456  0.504703  -0.0925407  -0.041443   0.0469894   28  LYS   A HG3  
204  H HD2  . LYS   A 16  ? 0.466998  0.538355  0.561792  -0.0986365  -0.046247   0.0880244   28  LYS   A HD2  
205  H HD3  . LYS   A 16  ? 0.479718  0.532729  0.563087  -0.104486   -0.0388294  0.0831437   28  LYS   A HD3  
206  H HE2  . LYS   A 16  ? 0.493536  0.622303  0.610001  -0.0738675  -0.0710339  0.129331    28  LYS   A HE2  
207  H HE3  . LYS   A 16  ? 0.490519  0.629842  0.610459  -0.0713156  -0.0686611  0.132058    28  LYS   A HE3  
208  H HZ1  . LYS   A 16  ? 0.4711    0.643444  0.64812   -0.042937   -0.0838344  0.136764    28  LYS   A HZ1  
209  H HZ2  . LYS   A 16  ? 0.469261  0.643631  0.647888  -0.0418675  -0.0827715  0.136557    28  LYS   A HZ2  
210  H HZ3  . LYS   A 16  ? 0.471432  0.647391  0.652817  -0.0414759  -0.085332   0.1328      28  LYS   A HZ3  
211  N N    . LYS   A 17  ? 0.209748  0.222895  0.442086  -0.054882   -0.0579179  -0.047985   29  LYS   A N    
212  C CA   . LYS   A 17  ? 0.206865  0.204246  0.432392  -0.0642577  -0.0799319  -0.0528961  29  LYS   A CA   
213  C C    . LYS   A 17  ? 0.175808  0.209251  0.406429  -0.0737568  -0.0908611  -0.0439347  29  LYS   A C    
214  O O    . LYS   A 17  ? 0.185031  0.260309  0.455879  -0.0630368  -0.116664   -0.0171538  29  LYS   A O    
215  C CB   . LYS   A 17  ? 0.218811  0.249313  0.427425  -0.0275604  -0.087661   -0.0544065  29  LYS   A CB   
216  C CG   . LYS   A 17  ? 0.236691  0.283879  0.440582  -0.00059725 -0.0570264  -0.0549302  29  LYS   A CG   
217  C CD   . LYS   A 17  ? 0.261118  0.314533  0.506739  0.00481408  -0.0856587  -0.0479691  29  LYS   A CD   
218  C CE   . LYS   A 17  ? 0.353821  0.370115  0.553659  0.0445377   -0.0059201  -0.0924049  29  LYS   A CE   
219  N NZ   . LYS   A 17  ? 0.404896  0.334531  0.567584  -0.0127576  0.0471116   -0.112005   29  LYS   A NZ   
220  H H    . LYS   A 17  ? 0.220637  0.23362   0.427863  -0.0444288  -0.0564238  -0.037626   29  LYS   A H    
221  H HA   . LYS   A 17  ? 0.211693  0.221162  0.411054  -0.0520448  -0.0626323  -0.0381671  29  LYS   A HA   
222  H HB2  . LYS   A 17  ? 0.232126  0.255114  0.417631  -0.0225493  -0.0654416  -0.0433059  29  LYS   A HB2  
223  H HB3  . LYS   A 17  ? 0.231332  0.254187  0.415874  -0.0216356  -0.0665715  -0.0421464  29  LYS   A HB3  
224  H HG2  . LYS   A 17  ? 0.250122  0.289074  0.435331  -0.00232624 -0.0574234  -0.0447134  29  LYS   A HG2  
225  H HG3  . LYS   A 17  ? 0.249929  0.287462  0.432015  -0.00239225 -0.0583392  -0.0460842  29  LYS   A HG3  
226  H HD2  . LYS   A 17  ? 0.282895  0.323984  0.476079  0.0151551   -0.0539335  -0.0441784  29  LYS   A HD2  
227  H HD3  . LYS   A 17  ? 0.283203  0.325191  0.482146  0.0123821   -0.0511716  -0.0450944  29  LYS   A HD3  
228  H HE2  . LYS   A 17  ? 0.350763  0.364092  0.53123   0.0204056   -0.0109016  -0.0711042  29  LYS   A HE2  
229  H HE3  . LYS   A 17  ? 0.351575  0.36239   0.534431  0.0214548   -0.0110576  -0.0729446  29  LYS   A HE3  
230  H HZ1  . LYS   A 17  ? 0.397222  0.358167  0.547839  0.00661156  0.0283006   -0.0888583  29  LYS   A HZ1  
231  H HZ2  . LYS   A 17  ? 0.397067  0.351522  0.54838   0.00766425  0.0283381   -0.0905911  29  LYS   A HZ2  
232  H HZ3  . LYS   A 17  ? 0.399116  0.358445  0.549085  0.00638281  0.0274862   -0.0892934  29  LYS   A HZ3  
233  N N    . ASP   A 18  ? 0.170515  0.227372  0.369647  -0.0755304  -0.0468278  -0.0340275  30  ASP   A N    
234  C CA   . ASP   A 18  ? 0.202876  0.234815  0.380811  -0.0246104  -0.0671389  -0.0179181  30  ASP   A CA   
235  C C    . ASP   A 18  ? 0.20016   0.23555   0.357826  -0.0279058  -0.0381372  -0.0296369  30  ASP   A C    
236  O O    . ASP   A 18  ? 0.223268  0.268354  0.363248  -0.0197145  -0.036682   -0.0354017  30  ASP   A O    
237  C CB   . ASP   A 18  ? 0.221097  0.24176   0.392946  -0.0331715  -0.0533392  -0.0251074  30  ASP   A CB   
238  C CG   . ASP   A 18  ? 0.240563  0.248315  0.394052  -0.049268   -0.0671311  0.0072571   30  ASP   A CG   
239  O OD1  . ASP   A 18  ? 0.27062   0.20037   0.382694  -0.0434954  -0.0649414  0.00377456  30  ASP   A OD1  
240  O OD2  . ASP   A 18  ? 0.283427  0.261866  0.441549  -0.0858105  -0.0384584  0.0213209   30  ASP   A OD2  
241  H H    . ASP   A 18  ? 0.188889  0.232174  0.366297  -0.0516042  -0.0513005  -0.0252398  30  ASP   A H    
242  H HA   . ASP   A 18  ? 0.207447  0.24197   0.363584  -0.0304205  -0.0467198  -0.0194656  30  ASP   A HA   
243  H HB2  . ASP   A 18  ? 0.228952  0.248893  0.37837   -0.0257245  -0.0470893  -0.0123808  30  ASP   A HB2  
244  H HB3  . ASP   A 18  ? 0.23086   0.247503  0.378814  -0.0270948  -0.0482091  -0.011905   30  ASP   A HB3  
245  N N    . ARG   A 19  ? 0.185466  0.238272  0.318996  -0.00923683 -0.0219062  -0.0480912  31  ARG   A N    
246  C CA   . ARG   A 19  ? 0.156101  0.232572  0.280211  -0.0179337  -0.00419076 -0.0484155  31  ARG   A CA   
247  C C    . ARG   A 19  ? 0.165773  0.206156  0.273109  -0.0417722  -0.00859676 -0.036565   31  ARG   A C    
248  O O    . ARG   A 19  ? 0.165489  0.195761  0.263519  -0.043482   -0.00309454 -0.0239678  31  ARG   A O    
249  C CB   . ARG   A 19  ? 0.212087  0.221765  0.291105  0.00137303  -0.0133164  -0.0466421  31  ARG   A CB   
250  C CG   . ARG   A 19  ? 0.206477  0.265952  0.280206  0.013833    -0.0102783  -0.0280386  31  ARG   A CG   
251  C CD   . ARG   A 19  ? 0.202649  0.28533   0.286117  0.0233306   0.00772853  -0.02085    31  ARG   A CD   
252  N NE   . ARG   A 19  ? 0.146149  0.312544  0.289311  0.0452404   -0.0159998  -0.01891    31  ARG   A NE   
253  C CZ   . ARG   A 19  ? 0.143539  0.310147  0.248661  0.0419645   -0.0283848  -0.0122025  31  ARG   A CZ   
254  N NH1  . ARG   A 19  ? 0.176615  0.346948  0.271629  0.0600361   -0.00713971 -0.0400253  31  ARG   A NH1  
255  N NH2  . ARG   A 19  ? 0.218851  0.323937  0.260052  0.0244569   -0.049663   0.00733078  31  ARG   A NH2  
256  H H    . ARG   A 19  ? 0.18877   0.23831   0.310316  -0.0116183  -0.0160427  -0.0375897  31  ARG   A H    
257  H HA   . ARG   A 19  ? 0.17296   0.227928  0.276768  -0.0153958  -0.00215317 -0.0379217  31  ARG   A HA   
258  H HB2  . ARG   A 19  ? 0.207833  0.235722  0.282182  0.0014067   -0.0102252  -0.037525   31  ARG   A HB2  
259  H HB3  . ARG   A 19  ? 0.202731  0.229751  0.280402  -0.00046188 -0.00787741 -0.03705    31  ARG   A HB3  
260  H HG2  . ARG   A 19  ? 0.212719  0.260547  0.27982   0.0119289   -0.00452196 -0.0263487  31  ARG   A HG2  
261  H HG3  . ARG   A 19  ? 0.212334  0.26275   0.279983  0.0115523   -0.0043586  -0.0261391  31  ARG   A HG3  
262  H HD2  . ARG   A 19  ? 0.198451  0.285898  0.281761  0.0237678   0.0006431   -0.018602   31  ARG   A HD2  
263  H HD3  . ARG   A 19  ? 0.198331  0.28537   0.28199   0.0232791   0.00090059  -0.0183879  31  ARG   A HD3  
264  H HE   . ARG   A 19  ? 0.170743  0.301485  0.274923  0.0359721   -0.00832888 -0.0139541  31  ARG   A HE   
265  H HH11 . ARG   A 19  ? 0.181007  0.329632  0.266938  0.0476694   -0.00942658 -0.024708   31  ARG   A HH11 
266  H HH12 . ARG   A 19  ? 0.182103  0.33053   0.268047  0.0504416   -0.0114465  -0.0266296  31  ARG   A HH12 
267  H HH21 . ARG   A 19  ? 0.208875  0.316069  0.264876  0.0244222   -0.0398475  0.00416973  31  ARG   A HH21 
268  H HH22 . ARG   A 19  ? 0.204427  0.315608  0.260453  0.0274059   -0.0353912  0.00125119  31  ARG   A HH22 
269  N N    . GLY   A 20  ? 0.20318   0.212954  0.255328  -0.0421392  -0.0118435  -0.0380552  32  GLY   A N    
270  C CA   . GLY   A 20  ? 0.198919  0.23513   0.257317  -0.0454118  -0.0241333  -0.0321885  32  GLY   A CA   
271  C C    . GLY   A 20  ? 0.173626  0.23038   0.225523  -0.0222268  -0.0135452  -0.0155401  32  GLY   A C    
272  O O    . GLY   A 20  ? 0.180697  0.226096  0.228149  -0.0362657  -0.0150903  -0.00293989 32  GLY   A O    
273  H H    . GLY   A 20  ? 0.196257  0.216597  0.256352  -0.0360612  -0.0109008  -0.0316885  32  GLY   A H    
274  H HA2  . GLY   A 20  ? 0.202228  0.231392  0.248389  -0.0362434  -0.0165514  -0.0249553  32  GLY   A HA2  
275  H HA3  . GLY   A 20  ? 0.198588  0.232559  0.24917   -0.0343811  -0.014246   -0.0268468  32  GLY   A HA3  
276  N N    . VAL   A 21  ? 0.160186  0.219779  0.174487  -0.0252169  -0.00751621 -0.00255273 33  VAL   A N    
277  C CA   . VAL   A 21  ? 0.184306  0.199016  0.163938  -0.0248829  -0.0199884  0.00317642  33  VAL   A CA   
278  C C    . VAL   A 21  ? 0.192509  0.177506  0.165047  -0.0223197  -0.0122932  -0.00107596 33  VAL   A C    
279  O O    . VAL   A 21  ? 0.161074  0.181747  0.207327  -0.0114639  -0.0369329  -0.0147164  33  VAL   A O    
280  C CB   . VAL   A 21  ? 0.177863  0.217453  0.182246  -0.0262069  -0.00516265 0.00137468  33  VAL   A CB   
281  C CG1  . VAL   A 21  ? 0.164793  0.203753  0.227898  -0.022757   -0.0128655  -0.0130498  33  VAL   A CG1  
282  C CG2  . VAL   A 21  ? 0.199948  0.217076  0.179859  -0.0212717  -0.0253738  0.00780908  33  VAL   A CG2  
283  H H    . VAL   A 21  ? 0.171248  0.213105  0.184495  -0.0220972  -0.0101613  -0.00404704 33  VAL   A H    
284  H HA   . VAL   A 21  ? 0.180134  0.200087  0.17113   -0.0214947  -0.0113899  0.00077859  33  VAL   A HA   
285  H HB   . VAL   A 21  ? 0.181757  0.210305  0.187242  -0.021298   -0.0115063  0.00083479  33  VAL   A HB   
286  H HG11 . VAL   A 21  ? 0.171933  0.206477  0.21277   -0.0198537  -0.00939513 -0.0081846  33  VAL   A HG11 
287  H HG12 . VAL   A 21  ? 0.17212   0.207556  0.217607  -0.0198421  -0.0105243  -0.00877925 33  VAL   A HG12 
288  H HG13 . VAL   A 21  ? 0.171575  0.207241  0.212947  -0.0197765  -0.00972991 -0.00755395 33  VAL   A HG13 
289  H HG21 . VAL   A 21  ? 0.193522  0.216143  0.182651  -0.0191041  -0.0165686  0.00548071  33  VAL   A HG21 
290  H HG22 . VAL   A 21  ? 0.194747  0.217115  0.18281   -0.0182556  -0.0164061  0.00529227  33  VAL   A HG22 
291  H HG23 . VAL   A 21  ? 0.193869  0.216792  0.183013  -0.0194697  -0.0165773  0.00582764  33  VAL   A HG23 
292  N N    . LEU   A 22  ? 0.182171  0.185819  0.165576  -0.0227845  -0.0177317  0.00607557  34  LEU   A N    
293  C CA   . LEU   A 22  ? 0.177576  0.159968  0.169071  -0.0138004  -0.00380356 0.0100397   34  LEU   A CA   
294  C C    . LEU   A 22  ? 0.139683  0.198422  0.163404  -0.00685886 0.00959521  -0.00753954 34  LEU   A C    
295  O O    . LEU   A 22  ? 0.120689  0.198458  0.177816  -0.0347613  0.014398    -0.00310936 34  LEU   A O    
296  C CB   . LEU   A 22  ? 0.177284  0.188725  0.192976  -0.00707537 -0.0172017  0.0050562   34  LEU   A CB   
297  C CG   . LEU   A 22  ? 0.184722  0.191257  0.229617  -0.00453844 -0.01837    0.014588    34  LEU   A CG   
298  C CD1  . LEU   A 22  ? 0.180704  0.218985  0.259503  0.00948601  -0.0220703  0.00685106  34  LEU   A CD1  
299  C CD2  . LEU   A 22  ? 0.20721   0.201305  0.257078  0.00138055  -0.0109699  0.00320669  34  LEU   A CD2  
300  H H    . LEU   A 22  ? 0.182328  0.180683  0.168944  -0.0185098  -0.0114436  0.00631994  34  LEU   A H    
301  H HA   . LEU   A 22  ? 0.170521  0.174875  0.170483  -0.0108406  -0.00475845 0.00247273  34  LEU   A HA   
302  H HB2  . LEU   A 22  ? 0.179822  0.183492  0.193307  -0.00710252 -0.0120821  0.00739431  34  LEU   A HB2  
303  H HB3  . LEU   A 22  ? 0.179715  0.183323  0.194008  -0.00696421 -0.0120625  0.0068743   34  LEU   A HB3  
304  H HG   . LEU   A 22  ? 0.188145  0.197525  0.224512  -0.00158539 -0.0144232  0.00934784  34  LEU   A HG   
305  H HD11 . LEU   A 22  ? 0.187725  0.213506  0.248315  0.00487803  -0.0174782  0.00940329  34  LEU   A HD11 
306  H HD12 . LEU   A 22  ? 0.188975  0.213002  0.247384  0.00567594  -0.0174271  0.00844597  34  LEU   A HD12 
307  H HD13 . LEU   A 22  ? 0.187793  0.213312  0.250617  0.00514568  -0.0178318  0.00685298  34  LEU   A HD13 
308  H HD21 . LEU   A 22  ? 0.204616  0.202803  0.2446    -0.00159762 -0.010796   0.00510566  34  LEU   A HD21 
309  H HD22 . LEU   A 22  ? 0.203808  0.202735  0.248388  -0.00015921 -0.011727   0.00436961  34  LEU   A HD22 
310  H HD23 . LEU   A 22  ? 0.205871  0.202828  0.245427  0.00081921  -0.0112148  0.00565817  34  LEU   A HD23 
311  N N    . LYS   A 23  ? 0.140382  0.20709   0.166658  -0.00646005 0.0138721   -0.0201015  35  LYS   A N    
312  C CA   . LYS   A 23  ? 0.145835  0.202453  0.162603  -0.00793667 0.0265252   0.00362563  35  LYS   A CA   
313  C C    . LYS   A 23  ? 0.130878  0.202065  0.16191   0.00717138  0.016478    -0.00374744 35  LYS   A C    
314  O O    . LYS   A 23  ? 0.20291   0.18174   0.173156  0.00249641  0.0199648   -0.0161507  35  LYS   A O    
315  C CB   . LYS   A 23  ? 0.126454  0.219707  0.141691  -0.0054653  0.0569947   0.0147592   35  LYS   A CB   
316  C CG   . LYS   A 23  ? 0.124219  0.205029  0.159687  -0.00951085 0.0492548   0.012044    35  LYS   A CG   
317  C CD   . LYS   A 23  ? 0.138123  0.217984  0.163372  -0.00941918 0.0361111   0.0117537   35  LYS   A CD   
318  C CE   . LYS   A 23  ? 0.139834  0.211555  0.171321  -0.0102627  0.0429604   0.0146511   35  LYS   A CE   
319  N NZ   . LYS   A 23  ? 0.148464  0.21337   0.170668  -0.00177255 0.0185056   -0.00363208 35  LYS   A NZ   
320  H H    . LYS   A 23  ? 0.145031  0.199191  0.16384   -0.00648187 0.0133879   -0.0111088  35  LYS   A H    
321  H HA   . LYS   A 23  ? 0.142616  0.202651  0.161971  -0.00360509 0.0250538   0.00053264  35  LYS   A HA   
322  H HB2  . LYS   A 23  ? 0.134935  0.205923  0.148519  -0.00561746 0.0439844   0.0131644   35  LYS   A HB2  
323  H HB3  . LYS   A 23  ? 0.134991  0.206982  0.152216  -0.00539785 0.0436852   0.011567    35  LYS   A HB3  
324  H HG2  . LYS   A 23  ? 0.132703  0.205849  0.157924  -0.00666114 0.0428978   0.011225    35  LYS   A HG2  
325  H HG3  . LYS   A 23  ? 0.132644  0.205252  0.15687   -0.00691342 0.0430028   0.010851    35  LYS   A HG3  
326  H HD2  . LYS   A 23  ? 0.140149  0.209563  0.166452  -0.00788313 0.0366926   0.0109736   35  LYS   A HD2  
327  H HD3  . LYS   A 23  ? 0.140171  0.209012  0.165474  -0.00797178 0.0366517   0.0109081   35  LYS   A HD3  
328  H HE2  . LYS   A 23  ? 0.145817  0.208498  0.169438  -0.0067272  0.032537    0.0102057   35  LYS   A HE2  
329  H HE3  . LYS   A 23  ? 0.145589  0.209832  0.172173  -0.00653117 0.0328196   0.0102387   35  LYS   A HE3  
330  H HZ1  . LYS   A 23  ? 0.150048  0.20886   0.169727  -0.00383253 0.023478    0.00091588  35  LYS   A HZ1  
331  H HZ2  . LYS   A 23  ? 0.15027   0.210215  0.172656  -0.00380363 0.0239553   0.00104976  35  LYS   A HZ2  
332  H HZ3  . LYS   A 23  ? 0.151358  0.20971   0.171741  -0.00297262 0.0239196   0.00192394  35  LYS   A HZ3  
333  N N    . ILE   A 24  ? 0.132184  0.184892  0.152271  0.00472571  0.0301574   0.00026628  36  ILE   A N    
334  C CA   . ILE   A 24  ? 0.180199  0.21418   0.14856   -0.0110826  0.0149471   0.0295324   36  ILE   A CA   
335  C C    . ILE   A 24  ? 0.204697  0.202185  0.152493  -0.0140796  0.00527952  0.02421     36  ILE   A C    
336  O O    . ILE   A 24  ? 0.230998  0.204464  0.161682  -0.0291714  0.00440266  0.0327265   36  ILE   A O    
337  C CB   . ILE   A 24  ? 0.196764  0.248251  0.212615  -0.00259529 0.0170767   0.026459    36  ILE   A CB   
338  C CG1  . ILE   A 24  ? 0.199907  0.29022   0.28885   0.0343482   -0.00023143 0.0424103   36  ILE   A CG1  
339  C CG2  . ILE   A 24  ? 0.224432  0.268419  0.216718  0.00191174  -0.00598415 0.0468879   36  ILE   A CG2  
340  C CD1  . ILE   A 24  ? 0.25122   0.343135  0.340552  0.0228222   -0.027768   0.0748666   36  ILE   A CD1  
341  H H    . ILE   A 24  ? 0.142653  0.189855  0.151245  0.00177189  0.0215722   0.00323713  36  ILE   A H    
342  H HA   . ILE   A 24  ? 0.176034  0.207152  0.16172   -0.0058305  0.0157678   0.0191739   36  ILE   A HA   
343  H HB   . ILE   A 24  ? 0.200163  0.245271  0.206473  0.00196832  0.00967534  0.0283394   36  ILE   A HB   
344  H HG12 . ILE   A 24  ? 0.214699  0.285348  0.273457  0.0198977   9.38e-06    0.0395172   36  ILE   A HG12 
345  H HG13 . ILE   A 24  ? 0.215504  0.285144  0.274636  0.0211793   -0.00192554 0.0362597   36  ILE   A HG13 
346  H HG21 . ILE   A 24  ? 0.219773  0.261028  0.218867  0.00047919  0.00183943  0.0358911   36  ILE   A HG21 
347  H HG22 . ILE   A 24  ? 0.21939   0.260903  0.220199  0.00045158  0.00167844  0.0371253   36  ILE   A HG22 
348  H HG23 . ILE   A 24  ? 0.221245  0.259567  0.217443  0.00073691  0.00243262  0.0355766   36  ILE   A HG23 
349  H HD11 . ILE   A 24  ? 0.245121  0.328714  0.327582  0.0239791   -0.0152536  0.0607413   36  ILE   A HD11 
350  H HD12 . ILE   A 24  ? 0.249287  0.325151  0.323272  0.0250564   -0.0145392  0.0570163   36  ILE   A HD12 
351  H HD13 . ILE   A 24  ? 0.246309  0.326025  0.325101  0.0251049   -0.0170444  0.0543574   36  ILE   A HD13 
352  N N    . VAL   A 25  ? 0.240197  0.222098  0.134792  -0.0207315  0.0155889   0.0249072   37  VAL   A N    
353  C CA   . VAL   A 25  ? 0.252851  0.218495  0.130358  -0.0163952  0.0258961   0.0302263   37  VAL   A CA   
354  C C    . VAL   A 25  ? 0.286084  0.228541  0.146144  -0.0372777  0.0121395   0.0314609   37  VAL   A C    
355  O O    . VAL   A 25  ? 0.381176  0.212936  0.136361  -0.0458122  -0.00578848 0.0261701   37  VAL   A O    
356  C CB   . VAL   A 25  ? 0.259716  0.250093  0.137735  -0.0244721  0.0270238   -0.00093072 37  VAL   A CB   
357  C CG1  . VAL   A 25  ? 0.267543  0.260009  0.134389  -0.0374941  0.0519691   0.00242069  37  VAL   A CG1  
358  C CG2  . VAL   A 25  ? 0.248226  0.244376  0.133382  -0.0220691  0.0418703   -0.0304133  37  VAL   A CG2  
359  H H    . VAL   A 25  ? 0.228224  0.214995  0.146155  -0.015476   0.0145216   0.021829    37  VAL   A H    
360  H HA   . VAL   A 25  ? 0.249797  0.225275  0.142563  -0.0181531  0.0197276   0.0219576   37  VAL   A HA   
361  H HB   . VAL   A 25  ? 0.252616  0.243014  0.144474  -0.020087   0.0310666   0.00116765  37  VAL   A HB   
362  H HG11 . VAL   A 25  ? 0.260692  0.254498  0.148633  -0.0275187  0.0413855   0.00234463  37  VAL   A HG11 
363  H HG12 . VAL   A 25  ? 0.26089   0.254744  0.148714  -0.0275212  0.0414904   0.0022847   37  VAL   A HG12 
364  H HG13 . VAL   A 25  ? 0.260777  0.254486  0.148569  -0.0274373  0.0415913   0.00235822  37  VAL   A HG13 
365  H HG21 . VAL   A 25  ? 0.243676  0.240461  0.144302  -0.0159148  0.0370843   -0.0195756  37  VAL   A HG21 
366  H HG22 . VAL   A 25  ? 0.243529  0.24188   0.145807  -0.0183013  0.0354307   -0.0178347  37  VAL   A HG22 
367  H HG23 . VAL   A 25  ? 0.244556  0.242005  0.144923  -0.0176385  0.034944    -0.0178706  37  VAL   A HG23 
368  N N    . LYS   A 26  ? 0.248957  0.234514  0.115248  -0.0248898  -0.00751961 0.0251278   38  LYS   A N    
369  C CA   . LYS   A 26  ? 0.280873  0.232008  0.151301  -0.00508131 -0.00808232 0.0245415   38  LYS   A CA   
370  C C    . LYS   A 26  ? 0.331214  0.23251   0.16179   -0.0202567  0.0148269   0.0636481   38  LYS   A C    
371  O O    . LYS   A 26  ? 0.376797  0.246784  0.19345   -0.0163605  0.017579    0.105951    38  LYS   A O    
372  C CB   . LYS   A 26  ? 0.28636   0.206951  0.170808  -0.0055662  -0.0273548  0.0148638   38  LYS   A CB   
373  C CG   . LYS   A 26  ? 0.303839  0.230635  0.221727  0.00164506  -0.0357011  0.0251265   38  LYS   A CG   
374  C CD   . LYS   A 26  ? 0.297302  0.280932  0.261421  0.0108111   -0.0402968  -0.026705   38  LYS   A CD   
375  C CE   . LYS   A 26  ? 0.270467  0.271929  0.239131  0.0240538   -0.0359085  -0.00622576 38  LYS   A CE   
376  N NZ   . LYS   A 26  ? 0.285536  0.288461  0.265612  0.0220725   -0.0435371  -0.0386019  38  LYS   A NZ   
377  H H    . LYS   A 26  ? 0.255946  0.229799  0.130003  -0.0171316  -0.00268583 0.0286746   38  LYS   A H    
378  H HA   . LYS   A 26  ? 0.274273  0.229868  0.159605  -0.00847071 -0.00519193 0.0269031   38  LYS   A HA   
379  H HB2  . LYS   A 26  ? 0.278422  0.219137  0.181228  -0.00152911 -0.0212897  0.0187824   38  LYS   A HB2  
380  H HB3  . LYS   A 26  ? 0.279546  0.215854  0.183378  -0.00276036 -0.019524   0.0189261   38  LYS   A HB3  
381  H HG2  . LYS   A 26  ? 0.291319  0.233467  0.220377  0.00133638  -0.028392   0.0136395   38  LYS   A HG2  
382  H HG3  . LYS   A 26  ? 0.291098  0.239661  0.224134  0.00150465  -0.029282   0.014717    38  LYS   A HG3  
383  H HD2  . LYS   A 26  ? 0.290394  0.26885   0.248703  0.0102485   -0.0315201  -0.00804528 38  LYS   A HD2  
384  H HD3  . LYS   A 26  ? 0.293751  0.269799  0.251074  0.0109366   -0.0334509  -0.00841819 38  LYS   A HD3  
385  H HE2  . LYS   A 26  ? 0.275794  0.276899  0.251271  0.0175516   -0.0319428  -0.0153051  38  LYS   A HE2  
386  H HE3  . LYS   A 26  ? 0.272063  0.275889  0.249525  0.0166892   -0.0302185  -0.0149797  38  LYS   A HE3  
387  H HZ1  . LYS   A 26  ? 0.282456  0.285259  0.260073  0.0202529   -0.0351513  -0.0249774  38  LYS   A HZ1  
388  H HZ2  . LYS   A 26  ? 0.280343  0.284725  0.258954  0.0200788   -0.0342173  -0.0254535  38  LYS   A HZ2  
389  H HZ3  . LYS   A 26  ? 0.280423  0.288748  0.260068  0.0204175   -0.0344978  -0.0259312  38  LYS   A HZ3  
390  N N    A ARG   A 27  ? 0.324775  0.237217  0.157358  -0.0066497  0.0315105   0.0478027   39  ARG   A N    
391  N N    B ARG   A 27  ? 0.314176  0.240743  0.155633  -0.00372801 0.0344149   0.0459785   39  ARG   A N    
392  C CA   A ARG   A 27  ? 0.332225  0.24021   0.180857  -0.0365118  0.0462645   0.0519227   39  ARG   A CA   
393  C CA   B ARG   A 27  ? 0.313387  0.245826  0.177656  -0.0282889  0.0474494   0.04929     39  ARG   A CA   
394  C C    A ARG   A 27  ? 0.304546  0.235032  0.1436    -0.034578   0.0632948   0.037826    39  ARG   A C    
395  C C    B ARG   A 27  ? 0.2963    0.237309  0.144524  -0.030185   0.0635448   0.037348    39  ARG   A C    
396  O O    A ARG   A 27  ? 0.286384  0.218364  0.125003  -0.0469668  0.0947566   0.0356253   39  ARG   A O    
397  O O    B ARG   A 27  ? 0.282395  0.220344  0.125969  -0.0434393  0.0944378   0.0348692   39  ARG   A O    
398  C CB   A ARG   A 27  ? 0.370919  0.230114  0.203256  -0.0490027  0.0447447   0.0397171   39  ARG   A CB   
399  C CB   B ARG   A 27  ? 0.322263  0.239769  0.191664  -0.0313866  0.0508066   0.0369095   39  ARG   A CB   
400  C CG   A ARG   A 27  ? 0.392166  0.231184  0.223035  -0.0703075  0.0628749   0.0443151   39  ARG   A CG   
401  C CG   B ARG   A 27  ? 0.321854  0.242678  0.2045    -0.0401269  0.0632113   0.0386835   39  ARG   A CG   
402  C CD   A ARG   A 27  ? 0.427836  0.218684  0.25214   -0.0904681  0.0576769   0.0436616   39  ARG   A CD   
403  C CD   B ARG   A 27  ? 0.32506   0.237883  0.232076  -0.0497091  0.0656557   0.0328488   39  ARG   A CD   
404  N NE   A ARG   A 27  ? 0.477569  0.178999  0.287813  -0.12036    0.0381563   0.0559842   39  ARG   A NE   
405  N NE   B ARG   A 27  ? 0.313625  0.237014  0.227363  -0.0697281  0.0565705   0.0383525   39  ARG   A NE   
406  C CZ   A ARG   A 27  ? 0.529432  0.166485  0.261467  -0.0853465  0.0114611   0.0686245   39  ARG   A CZ   
407  C CZ   B ARG   A 27  ? 0.311255  0.206424  0.259161  -0.0928833  0.0491507   0.0467353   39  ARG   A CZ   
408  N NH1  A ARG   A 27  ? 0.531784  0.157713  0.227552  -0.0792286  0.0270224   0.110701    39  ARG   A NH1  
409  N NH1  B ARG   A 27  ? 0.25921   0.124933  0.207636  -0.107139   0.0572979   0.0633656   39  ARG   A NH1  
410  N NH2  A ARG   A 27  ? 0.565116  0.166361  0.303156  -0.0787288  -0.0120511  0.0457111   39  ARG   A NH2  
411  N NH2  B ARG   A 27  ? 0.362035  0.21301   0.285155  -0.073144   0.0414936   0.0592146   39  ARG   A NH2  
412  H H    A ARG   A 27  ? 0.316357  0.239312  0.174407  -0.0123815  0.029331    0.0473125   39  ARG   A H    
413  H H    B ARG   A 27  ? 0.307262  0.241846  0.172923  -0.00960317 0.0307727   0.0455541   39  ARG   A H    
414  H HA   A ARG   A 27  ? 0.322574  0.24152   0.184671  -0.0260845  0.0433525   0.0423495   39  ARG   A HA   
415  H HA   B ARG   A 27  ? 0.30425   0.245336  0.181407  -0.0195356  0.0449409   0.0402059   39  ARG   A HA   
416  H HB2  A ARG   A 27  ? 0.354875  0.239441  0.212768  -0.0410951  0.0463606   0.0404874   39  ARG   A HB2  
417  H HB2  B ARG   A 27  ? 0.311144  0.24501   0.201     -0.0260879  0.0488806   0.0365706   39  ARG   A HB2  
418  H HB3  A ARG   A 27  ? 0.355053  0.240174  0.212384  -0.0415868  0.0463802   0.0406711   39  ARG   A HB3  
419  H HB3  B ARG   A 27  ? 0.311357  0.245614  0.200553  -0.0265344  0.0487656   0.0368998   39  ARG   A HB3  
420  H HG2  A ARG   A 27  ? 0.381242  0.239523  0.233893  -0.0571255  0.0542386   0.0408017   39  ARG   A HG2  
421  H HG2  B ARG   A 27  ? 0.313728  0.246143  0.215424  -0.0328982  0.055499    0.0342616   39  ARG   A HG2  
422  H HG3  A ARG   A 27  ? 0.381796  0.238253  0.231918  -0.057149   0.0541713   0.0421103   39  ARG   A HG3  
423  H HG3  B ARG   A 27  ? 0.313617  0.245539  0.213341  -0.0327592  0.0552625   0.0351351   39  ARG   A HG3  
424  H HD2  A ARG   A 27  ? 0.41612   0.228501  0.261289  -0.0753167  0.0523377   0.0458981   39  ARG   A HD2  
425  H HD2  B ARG   A 27  ? 0.313132  0.245483  0.23202   -0.0427342  0.0569718   0.0330411   39  ARG   A HD2  
426  H HD3  A ARG   A 27  ? 0.413134  0.228796  0.262401  -0.0752293  0.0529782   0.0451929   39  ARG   A HD3  
427  H HD3  B ARG   A 27  ? 0.312804  0.244944  0.231915  -0.0421443  0.0572586   0.0327217   39  ARG   A HD3  
428  H HE   A ARG   A 27  ? 0.461585  0.210791  0.286145  -0.083426   0.039434    0.0551291   39  ARG   A HE   
429  H HE   B ARG   A 27  ? 0.30691   0.241126  0.24203   -0.0587703  0.0521091   0.0364993   39  ARG   A HE   
430  H HH11 A ARG   A 27  ? 0.508654  0.188995  0.256324  -0.0562962  0.029719    0.0951448   39  ARG   A HH11 
431  H HH11 B ARG   A 27  ? 0.257498  0.143948  0.218837  -0.0829313  0.0526663   0.0537917   39  ARG   A HH11 
432  H HH12 A ARG   A 27  ? 0.506555  0.186966  0.251907  -0.0590197  0.0284569   0.0895633   39  ARG   A HH12 
433  H HH12 B ARG   A 27  ? 0.256247  0.153682  0.213774  -0.0850185  0.050177    0.0509004   39  ARG   A HH12 
434  H HH21 A ARG   A 27  ? 0.530728  0.202496  0.303966  -0.0577948  0.00482975  0.0566999   39  ARG   A HH21 
435  H HH21 B ARG   A 27  ? 0.335131  0.22797   0.282222  -0.0649235  0.0424462   0.0524542   39  ARG   A HH21 
436  H HH22 A ARG   A 27  ? 0.529661  0.196543  0.29885   -0.0601959  0.00449717  0.0479867   39  ARG   A HH22 
437  H HH22 B ARG   A 27  ? 0.335221  0.22844   0.283244  -0.0648293  0.0428998   0.052783    39  ARG   A HH22 
438  N N    . VAL   A 28  ? 0.277653  0.265192  0.134875  -0.0340365  0.0623817   0.038097    40  VAL   A N    
439  C CA   . VAL   A 28  ? 0.278437  0.288831  0.132275  -0.0296303  0.0638995   0.032121    40  VAL   A CA   
440  C C    . VAL   A 28  ? 0.281105  0.274721  0.145467  -0.0425471  0.0569216   0.0191542   40  VAL   A C    
441  O O    . VAL   A 28  ? 0.242327  0.292757  0.196961  -0.0604944  0.0922743   0.00112445  40  VAL   A O    
442  C CB   . VAL   A 28  ? 0.30046   0.372253  0.129397  -0.0215345  0.0205465   0.013376    40  VAL   A CB   
443  C CG1  . VAL   A 28  ? 0.320574  0.404812  0.145469  -0.030183   0.0572307   0.0170838   40  VAL   A CG1  
444  C CG2  . VAL   A 28  ? 0.294424  0.391143  0.137171  -0.0246553  0.017043    0.0156347   40  VAL   A CG2  
445  H H    A VAL   A 28  ? 0.279091  0.261598  0.147491  -0.0266645  0.056712    0.0350915   40  VAL   A H    
446  H H    B VAL   A 28  ? 0.277305  0.261962  0.147526  -0.0257403  0.0567167   0.0350831   40  VAL   A H    
447  H HA   . VAL   A 28  ? 0.275852  0.284643  0.148991  -0.0279583  0.0535092   0.0281371   40  VAL   A HA   
448  H HB   . VAL   A 28  ? 0.299291  0.357572  0.156706  -0.0153864  0.0343131   0.0175075   40  VAL   A HB   
449  H HG11 . VAL   A 28  ? 0.315021  0.383494  0.164436  -0.0195119  0.0459288   0.0186041   40  VAL   A HG11 
450  H HG12 . VAL   A 28  ? 0.315944  0.383124  0.164845  -0.0192927  0.0460644   0.0183123   40  VAL   A HG12 
451  H HG13 . VAL   A 28  ? 0.315173  0.383731  0.160306  -0.0191398  0.0462253   0.0172711   40  VAL   A HG13 
452  H HG21 . VAL   A 28  ? 0.29753   0.37458   0.152142  -0.0163181  0.0221564   0.0157867   40  VAL   A HG21 
453  H HG22 . VAL   A 28  ? 0.297519  0.373417  0.15659   -0.0169051  0.0221401   0.0173938   40  VAL   A HG22 
454  H HG23 . VAL   A 28  ? 0.297621  0.374881  0.156674  -0.0164099  0.0215597   0.0170532   40  VAL   A HG23 
455  N N    . GLY   A 29  ? 0.274654  0.280798  0.135464  -0.0294201  0.07503     0.0126619   41  GLY   A N    
456  C CA   . GLY   A 29  ? 0.245452  0.301161  0.0996731 -0.0498299  0.0883813   0.00410035  41  GLY   A CA   
457  C C    . GLY   A 29  ? 0.27865   0.29878   0.140421  -0.0486834  0.118751    0.00683061  41  GLY   A C    
458  O O    . GLY   A 29  ? 0.388094  0.325634  0.169201  -0.0275027  0.0683534   0.0207304   41  GLY   A O    
459  H H    . GLY   A 29  ? 0.265991  0.281623  0.144056  -0.0293383  0.0678764   0.0126188   41  GLY   A H    
460  H HA2  . GLY   A 29  ? 0.253888  0.284851  0.131336  -0.0376424  0.0842584   0.00764536  41  GLY   A HA2  
461  H HA3  . GLY   A 29  ? 0.254184  0.286796  0.127927  -0.0370737  0.0857037   0.0113775   41  GLY   A HA3  
462  N N    . ASN   A 30  ? 0.214305  0.320263  0.166825  -0.0446     0.169522    -0.00786772 42  ASN   A N    
463  C CA   . ASN   A 30  ? 0.252175  0.359196  0.231592  -0.0497906  0.226022    -0.0195421  42  ASN   A CA   
464  C C    . ASN   A 30  ? 0.282009  0.341003  0.263774  -0.0321928  0.228822    0.0289392   42  ASN   A C    
465  O O    . ASN   A 30  ? 0.230034  0.454001  0.290176  -0.0128938  0.23248     0.0929796   42  ASN   A O    
466  C CB   . ASN   A 30  ? 0.295317  0.426965  0.288402  -0.0728739  0.220285    -0.0156839  42  ASN   A CB   
467  C CG   . ASN   A 30  ? 0.395399  0.482842  0.304979  -0.141705   0.203091    -0.0208946  42  ASN   A CG   
468  O OD1  . ASN   A 30  ? 0.543696  0.675482  0.334816  -0.242413   0.147473    -0.0491521  42  ASN   A OD1  
469  N ND2  . ASN   A 30  ? 0.477009  0.533907  0.397442  -0.142027   0.127704    -0.00359875 42  ASN   A ND2  
470  H H    . ASN   A 30  ? 0.237133  0.312271  0.174093  -0.039956   0.150227    -0.00354246 42  ASN   A H    
471  H HA   . ASN   A 30  ? 0.258945  0.349083  0.239945  -0.0432942  0.187014    -0.00642511 42  ASN   A HA   
472  H HB2  . ASN   A 30  ? 0.306764  0.41036   0.287654  -0.0691527  0.1943      -0.0157417  42  ASN   A HB2  
473  H HB3  . ASN   A 30  ? 0.298026  0.408699  0.280939  -0.0663855  0.198087    -0.0157996  42  ASN   A HB3  
474  H HD21 . ASN   A 30  ? 0.451915  0.518731  0.380521  -0.124317   0.137758    -0.00421628 42  ASN   A HD21 
475  H HD22 . ASN   A 30  ? 0.447004  0.513137  0.390785  -0.121385   0.138168    0.00223784  42  ASN   A HD22 
476  N N    . GLY   A 31  ? 0.309031  0.332436  0.319843  -0.0268861  0.255174    0.0218554   43  GLY   A N    
477  C CA   . GLY   A 31  ? 0.346226  0.345102  0.35561   0.0179986   0.220515    -0.0022651  43  GLY   A CA   
478  C C    . GLY   A 31  ? 0.429414  0.32014   0.346493  0.0020681   0.157377    -0.00029978 43  GLY   A C    
479  O O    . GLY   A 31  ? 0.576855  0.304591  0.330899  0.0231238   0.131472    -0.0391519  43  GLY   A O    
480  H H    . GLY   A 31  ? 0.307476  0.334658  0.305126  -0.0189869  0.212736    0.0196716   43  GLY   A H    
481  H HA2  . GLY   A 31  ? 0.346394  0.339017  0.334589  0.00435404  0.195376    0.00061846  43  GLY   A HA2  
482  H HA3  . GLY   A 31  ? 0.351632  0.341041  0.343186  0.00164701  0.190141    0.00399265  43  GLY   A HA3  
483  N N    . GLU   A 32  ? 0.431894  0.291178  0.248748  0.013493    0.149709    -0.00726649 44  GLU   A N    
484  C CA   . GLU   A 32  ? 0.419748  0.28896   0.199216  -0.00193124 0.142777    -0.00274756 44  GLU   A CA   
485  C C    . GLU   A 32  ? 0.338258  0.262657  0.177693  -0.0110472  0.112729    -0.0111697  44  GLU   A C    
486  O O    . GLU   A 32  ? 0.363746  0.29291   0.238826  -0.0437556  0.0458192   0.00301035  44  GLU   A O    
487  C CB   . GLU   A 32  ? 0.508216  0.263288  0.245435  0.00177832  0.155308    -0.0149438  44  GLU   A CB   
488  H H    . GLU   A 32  ? 0.409852  0.302408  0.265761  0.00851949  0.132011    -0.00129125 44  GLU   A H    
489  H HA   . GLU   A 32  ? 0.400938  0.28719   0.224964  0.00216553  0.123709    -0.00316784 44  GLU   A HA   
490  H HB2  . GLU   A 32  ? 0.342719  0.342719  0.342719  0           0           0           44  GLU   A HB2  
491  H HB3  . GLU   A 32  ? 0.342719  0.342719  0.342719  0           0           0           44  GLU   A HB3  
492  N N    . GLU   A 33  ? 0.287618  0.255553  0.205418  0.00527662  0.115047    0.0112604   45  GLU   A N    
493  C CA   . GLU   A 33  ? 0.215927  0.21314   0.185966  0.0300555   0.108923    -0.018065   45  GLU   A CA   
494  C C    . GLU   A 33  ? 0.19032   0.173945  0.187248  0.0107918   0.101598    -0.0089362  45  GLU   A C    
495  O O    . GLU   A 33  ? 0.224542  0.158823  0.171719  -0.0208822  0.0996936   -0.0035443  45  GLU   A O    
496  C CB   . GLU   A 33  ? 0.252158  0.334012  0.203464  0.0387737   0.0587242   -0.0383578  45  GLU   A CB   
497  H H    . GLU   A 33  ? 0.27659   0.247927  0.201707  0.00792913  0.0996828   -0.00094639 45  GLU   A H    
498  H HA   . GLU   A 33  ? 0.22253   0.220297  0.193397  0.0182915   0.0882281   -0.0123361  45  GLU   A HA   
499  H HB2  . GLU   A 33  ? 0.268248  0.268248  0.268248  0           0           0           45  GLU   A HB2  
500  H HB3  . GLU   A 33  ? 0.268248  0.268248  0.268248  0           0           0           45  GLU   A HB3  
501  N N    . THR   A 34  ? 0.220394  0.179912  0.193504  4.901e-05   0.0817764   0.0074537   46  THR   A N    
502  C CA   . THR   A 34  ? 0.162474  0.15268   0.180639  0.0127132   0.0585139   -0.00388577 46  THR   A CA   
503  C C    . THR   A 34  ? 0.170853  0.157495  0.178704  0.0136949   0.0611225   -0.00668936 46  THR   A C    
504  O O    . THR   A 34  ? 0.176802  0.178865  0.175538  0.0275939   0.0711327   0.00154035  46  THR   A O    
505  C CB   . THR   A 34  ? 0.163386  0.178935  0.193299  0.00685957  0.0471372   -0.0009627  46  THR   A CB   
506  O OG1  . THR   A 34  ? 0.158969  0.177547  0.193294  0.0191153   0.0562416   -0.0299218  46  THR   A OG1  
507  C CG2  . THR   A 34  ? 0.139887  0.197131  0.21338   0.00090562  0.0277373   -0.00312273 46  THR   A CG2  
508  H H    . THR   A 34  ? 0.196716  0.182218  0.189426  0.00533335  0.0713956   0.00150601  46  THR   A H    
509  H HA   . THR   A 34  ? 0.170765  0.159693  0.181139  0.00803924  0.0548384   -0.00199672 46  THR   A HA   
510  H HB   . THR   A 34  ? 0.161107  0.179393  0.193564  0.00785132  0.0417002   -0.0051759  46  THR   A HB   
511  H HG1  . THR   A 34  ? 0.179845  0.179845  0.179845  0           0           0           46  THR   A HG1  
512  H HG21 . THR   A 34  ? 0.147094  0.192585  0.203829  0.00201792  0.0288374   -0.00151428 46  THR   A HG21 
513  H HG22 . THR   A 34  ? 0.152087  0.192982  0.205342  0.00218774  0.0290873   -0.00066352 46  THR   A HG22 
514  H HG23 . THR   A 34  ? 0.150992  0.193865  0.203792  0.00300299  0.030153    -0.00117388 46  THR   A HG23 
515  N N    . PRO   A 35  ? 0.130301  0.182618  0.169142  0.0011398   0.0814465   0.0109406   47  PRO   A N    
516  C CA   . PRO   A 35  ? 0.109925  0.183296  0.180601  -0.00191699 0.0629621   0.00320238  47  PRO   A CA   
517  C C    . PRO   A 35  ? 0.146265  0.180488  0.182875  0.00318296  0.0282301   -0.00127553 47  PRO   A C    
518  O O    . PRO   A 35  ? 0.125715  0.211075  0.192366  0.0108022   0.0322654   0.0214482   47  PRO   A O    
519  C CB   . PRO   A 35  ? 0.134644  0.185904  0.179134  -0.0107225  0.0525001   -0.00353807 47  PRO   A CB   
520  C CG   . PRO   A 35  ? 0.153931  0.201316  0.174267  0.0139011   0.0552427   -0.0178068  47  PRO   A CG   
521  C CD   . PRO   A 35  ? 0.123714  0.190125  0.163477  0.00237126  0.0957415   0.00848537  47  PRO   A CD   
522  H HA   . PRO   A 35  ? 0.119146  0.181044  0.176071  0.00029511  0.0522305   0.00250457  47  PRO   A HA   
523  H HB2  . PRO   A 35  ? 0.136988  0.186825  0.176045  -0.0028005  0.049316    -0.00377928 47  PRO   A HB2  
524  H HB3  . PRO   A 35  ? 0.134944  0.185522  0.176319  -0.00426636 0.0485019   -0.00467979 47  PRO   A HB3  
525  H HG2  . PRO   A 35  ? 0.155457  0.195024  0.173963  0.00827126  0.0548804   -0.00763076 47  PRO   A HG2  
526  H HG3  . PRO   A 35  ? 0.148244  0.193821  0.173625  0.00540327  0.0565363   -0.00709051 47  PRO   A HG3  
527  H HD2  . PRO   A 35  ? 0.135085  0.186983  0.166252  0.00343936  0.0741091   0.00349356  47  PRO   A HD2  
528  H HD3  . PRO   A 35  ? 0.132791  0.183578  0.16559   0.00084909  0.0752106   0.00480482  47  PRO   A HD3  
529  N N    . MET   A 36  ? 0.128881  0.189512  0.210327  0.0276021   0.0165646   -0.00398568 48  MET   A N    
530  C CA   . MET   A 36  ? 0.119556  0.184798  0.207374  0.00864113  0.012849    -0.018346   48  MET   A CA   
531  C C    . MET   A 36  ? 0.124705  0.159844  0.203288  0.0088719   0.0154792   -0.0243906  48  MET   A C    
532  O O    . MET   A 36  ? 0.141009  0.1488    0.25336   0.0153679   0.0197733   -0.0248142  48  MET   A O    
533  C CB   . MET   A 36  ? 0.136727  0.208796  0.211323  0.0195798   0.020117    -0.0189845  48  MET   A CB   
534  C CG   . MET   A 36  ? 0.18599   0.263018  0.239073  0.00160336  0.0153938   -0.019313   48  MET   A CG   
535  S SD   . MET   A 36  ? 0.155771  0.248198  0.224352  -0.0236019  0.0713175   -0.0444358  48  MET   A SD   
536  C CE   . MET   A 36  ? 0.168317  0.275912  0.200215  -0.0258772  0.0788946   -0.0377172  48  MET   A CE   
537  H H    . MET   A 36  ? 0.138554  0.186711  0.19931   0.0162174   0.0189021   -0.00515452 48  MET   A H    
538  H HA   . MET   A 36  ? 0.12948   0.183038  0.200426  0.0113459   0.0132245   -0.0154352  48  MET   A HA   
539  H HB2  . MET   A 36  ? 0.146819  0.209478  0.211224  0.0123228   0.0166697   -0.0160384  48  MET   A HB2  
540  H HB3  . MET   A 36  ? 0.146824  0.209088  0.211301  0.0121228   0.0170113   -0.0158752  48  MET   A HB3  
541  H HG2  . MET   A 36  ? 0.175173  0.248993  0.229757  0.00296582  0.0252528   -0.0228555  48  MET   A HG2  
542  H HG3  . MET   A 36  ? 0.180149  0.246519  0.228939  -0.00059568 0.0265483   -0.0213746  48  MET   A HG3  
543  H HE1  . MET   A 36  ? 0.171785  0.263508  0.208489  -0.0212323  0.0688356   -0.0332391  48  MET   A HE1  
544  H HE2  . MET   A 36  ? 0.171817  0.264305  0.208679  -0.0210335  0.0689315   -0.0334748  48  MET   A HE2  
545  H HE3  . MET   A 36  ? 0.172793  0.263832  0.208641  -0.021597   0.0692037   -0.0333277  48  MET   A HE3  
546  N N    . ILE   A 37  ? 0.138075  0.165983  0.165109  0.00475407  0.0505153   -0.0251513  49  ILE   A N    
547  C CA   . ILE   A 37  ? 0.154503  0.170303  0.171057  0.0146979   0.0712496   -0.0324416  49  ILE   A CA   
548  C C    . ILE   A 37  ? 0.212724  0.174864  0.197708  0.0275093   0.0493984   -0.00492897 49  ILE   A C    
549  O O    . ILE   A 37  ? 0.171189  0.175718  0.199069  0.0392892   0.067912    -0.0175204  49  ILE   A O    
550  C CB   . ILE   A 37  ? 0.201705  0.203193  0.172094  0.00072707  0.0907732   -0.0303665  49  ILE   A CB   
551  C CG1  . ILE   A 37  ? 0.260667  0.275667  0.210057  0.00216866  0.0872812   -0.00948294 49  ILE   A CG1  
552  C CG2  . ILE   A 37  ? 0.208742  0.204578  0.17392   0.00227404  0.0943138   0.0016017   49  ILE   A CG2  
553  C CD1  . ILE   A 37  ? 0.322305  0.323395  0.27278   -0.00096459 0.0833766   -0.0129601  49  ILE   A CD1  
554  H H    . ILE   A 37  ? 0.140972  0.16537   0.172406  0.00636024  0.0410745   -0.0237908  49  ILE   A H    
555  H HA   . ILE   A 37  ? 0.164195  0.170317  0.172289  0.0143594   0.0590381   -0.0235775  49  ILE   A HA   
556  H HB   . ILE   A 37  ? 0.196824  0.202972  0.178413  0.004005    0.0758742   -0.0191471  49  ILE   A HB   
557  H HG12 . ILE   A 37  ? 0.247754  0.25737   0.211711  0.00184746  0.0756255   -0.013949   49  ILE   A HG12 
558  H HG13 . ILE   A 37  ? 0.25099   0.264152  0.212528  0.00399607  0.0761288   -0.0140407  49  ILE   A HG13 
559  H HG21 . ILE   A 37  ? 0.204379  0.203902  0.176233  0.00128398  0.0814415   -0.00653222 49  ILE   A HG21 
560  H HG22 . ILE   A 37  ? 0.20554   0.205841  0.176887  0.00107772  0.0811411   -0.00639399 49  ILE   A HG22 
561  H HG23 . ILE   A 37  ? 0.204172  0.204241  0.176159  0.00172312  0.0807294   -0.00660272 49  ILE   A HG23 
562  H HD11 . ILE   A 37  ? 0.300553  0.306189  0.267706  0.00233893  0.0705219   -0.0120188  49  ILE   A HD11 
563  H HD12 . ILE   A 37  ? 0.304636  0.307437  0.262331  0.00201164  0.0765605   -0.0100743  49  ILE   A HD12 
564  H HD13 . ILE   A 37  ? 0.299419  0.311224  0.258293  0.00461221  0.073307    -0.0108018  49  ILE   A HD13 
565  N N    . GLY   A 38  ? 0.219696  0.184262  0.181636  0.0233765   0.0357687   -0.00545489 50  GLY   A N    
566  C CA   . GLY   A 38  ? 0.253588  0.216059  0.197822  0.00824931  0.00257599  0.00621482  50  GLY   A CA   
567  C C    . GLY   A 38  ? 0.230303  0.214471  0.183745  -0.00045742 -0.0283534  0.00994087  50  GLY   A C    
568  O O    . GLY   A 38  ? 0.282141  0.22302   0.181885  0.0151593   -0.0506913  -0.0129694  50  GLY   A O    
569  H H    . GLY   A 38  ? 0.216801  0.189564  0.188848  0.0204102   0.0306272   -0.00307314 50  GLY   A H    
570  H HA2  . GLY   A 38  ? 0.237555  0.212089  0.198627  0.0084426   0.00352733  0.00441742  50  GLY   A HA2  
571  H HA3  . GLY   A 38  ? 0.23776   0.215352  0.19518   0.00675686  0.00553377  0.00366991  50  GLY   A HA3  
572  N N    . ASP   A 39  ? 0.193869  0.178002  0.183953  -0.0168164  0.00451836  0.0062875   51  ASP   A N    
573  C CA   . ASP   A 39  ? 0.169708  0.198028  0.185433  0.00145244  0.0138452   0.00511947  51  ASP   A CA   
574  C C    . ASP   A 39  ? 0.161229  0.168358  0.16705   0.0111025   0.0134391   0.0176315   51  ASP   A C    
575  O O    . ASP   A 39  ? 0.150023  0.16928   0.19141   -0.00068804 0.0265562   -0.0130849  51  ASP   A O    
576  C CB   . ASP   A 39  ? 0.137937  0.213739  0.177518  -0.00174715 0.0368273   0.00608049  51  ASP   A CB   
577  C CG   . ASP   A 39  ? 0.1401    0.217388  0.18869   0.021968    0.0344482   0.00642367  51  ASP   A CG   
578  O OD1  . ASP   A 39  ? 0.189445  0.237238  0.222681  0.0567199   0.00384355  -0.00911519 51  ASP   A OD1  
579  O OD2  . ASP   A 39  ? 0.158288  0.238951  0.185795  0.00906768  0.0508941   -0.0197584  51  ASP   A OD2  
580  H H    . ASP   A 39  ? 0.193358  0.189804  0.18308   -0.00764969 0.00042164  0.00532192  51  ASP   A H    
581  H HA   . ASP   A 39  ? 0.169578  0.191404  0.180702  -0.00017763 0.0145914   0.00664289  51  ASP   A HA   
582  H HB2  . ASP   A 39  ? 0.147577  0.206577  0.181407  0.0041119   0.0272892   0.00542512  51  ASP   A HB2  
583  H HB3  . ASP   A 39  ? 0.148715  0.205164  0.181203  0.00337343  0.0278967   0.00574587  51  ASP   A HB3  
584  N N    . LYS   A 40  ? 0.139073  0.18922   0.17803   0.0110704   0.0140678   -0.00193142 52  LYS   A N    
585  C CA   . LYS   A 40  ? 0.152374  0.208479  0.191436  0.0172688   0.0159243   0.00394682  52  LYS   A CA   
586  C C    . LYS   A 40  ? 0.134407  0.204518  0.1507    0.00059701  0.0502514   0.00206709  52  LYS   A C    
587  O O    . LYS   A 40  ? 0.116636  0.219581  0.150238  0.0434906   0.0634561   0.00171263  52  LYS   A O    
588  C CB   . LYS   A 40  ? 0.223487  0.268092  0.215009  0.00869595  -0.0208188  0.00352894  52  LYS   A CB   
589  C CG   . LYS   A 40  ? 0.290649  0.347305  0.253865  0.00214856  -0.0271509  0.0202348   52  LYS   A CG   
590  C CD   . LYS   A 40  ? 0.424205  0.425879  0.301462  0.018704    -0.0537616  -0.0195986  52  LYS   A CD   
591  C CE   . LYS   A 40  ? 0.494471  0.447155  0.323198  0.0574492   -0.0333512  0.022549    52  LYS   A CE   
592  N NZ   . LYS   A 40  ? 0.532288  0.386759  0.393042  0.0916773   -0.0531371  0.0121669   52  LYS   A NZ   
593  H H    . LYS   A 40  ? 0.145568  0.187066  0.176713  0.0121362   0.0136089   0.00338535  52  LYS   A H    
594  H HA   . LYS   A 40  ? 0.159397  0.20894   0.182588  0.0096986   0.0156147   0.00182877  52  LYS   A HA   
595  H HB2  . LYS   A 40  ? 0.220139  0.260284  0.217599  0.0075883   -0.0124735  0.00641876  52  LYS   A HB2  
596  H HB3  . LYS   A 40  ? 0.216173  0.262762  0.216434  0.00837324  -0.00974155 0.00607582  52  LYS   A HB3  
597  H HG2  . LYS   A 40  ? 0.287691  0.329217  0.25314   0.00594713  -0.0246671  0.00762395  52  LYS   A HG2  
598  H HG3  . LYS   A 40  ? 0.290662  0.336347  0.254211  0.00329315  -0.0254971  0.0083792   52  LYS   A HG3  
599  H HD2  . LYS   A 40  ? 0.406838  0.406137  0.304126  0.0210894   -0.0398473  0.00068743  52  LYS   A HD2  
600  H HD3  . LYS   A 40  ? 0.395467  0.412128  0.301654  0.0157534   -0.0363371  0.00176388  52  LYS   A HD3  
601  H HE2  . LYS   A 40  ? 0.475201  0.432341  0.3432    0.0486191   -0.0352844  0.00968358  52  LYS   A HE2  
602  H HE3  . LYS   A 40  ? 0.476051  0.438744  0.343227  0.0466911   -0.0355164  0.0102307   52  LYS   A HE3  
603  H HZ1  . LYS   A 40  ? 0.508846  0.400207  0.379907  0.0741313   -0.0389603  0.0125223   52  LYS   A HZ1  
604  H HZ2  . LYS   A 40  ? 0.513559  0.410326  0.380373  0.0706759   -0.0412734  0.0132724   52  LYS   A HZ2  
605  H HZ3  . LYS   A 40  ? 0.510233  0.411265  0.386371  0.0715053   -0.038966   0.0108056   52  LYS   A HZ3  
606  N N    . VAL   A 41  ? 0.135323  0.179503  0.133462  -0.00408845 0.0367819   -0.0054819  53  VAL   A N    
607  C CA   . VAL   A 41  ? 0.154894  0.172461  0.121257  -0.0129155  0.0299583   -0.0133304  53  VAL   A CA   
608  C C    . VAL   A 41  ? 0.15051   0.168093  0.120711  -0.0171057  0.0325697   -0.0178301  53  VAL   A C    
609  O O    . VAL   A 41  ? 0.162671  0.150673  0.118539  0.0113071   0.0298044   -0.0235399  53  VAL   A O    
610  C CB   . VAL   A 41  ? 0.113681  0.20554   0.145038  -0.0326747  0.0721971   -0.0243371  53  VAL   A CB   
611  C CG1  . VAL   A 41  ? 0.154623  0.205022  0.159606  -0.0288997  0.0405245   -0.0207081  53  VAL   A CG1  
612  C CG2  . VAL   A 41  ? 0.0932384 0.261698  0.170513  -0.0278605  0.0720004   -0.0144382  53  VAL   A CG2  
613  H H    . VAL   A 41  ? 0.139439  0.180606  0.135242  -0.00432958 0.0352046   -0.00474225 53  VAL   A H    
614  H HA   . VAL   A 41  ? 0.145978  0.176294  0.133842  -0.0131472  0.0324733   -0.0121273  53  VAL   A HA   
615  H HB   . VAL   A 41  ? 0.129778  0.20273   0.149122  -0.0233589  0.0527084   -0.0177034  53  VAL   A HB   
616  H HG11 . VAL   A 41  ? 0.146271  0.201705  0.15816   -0.0254266  0.0438906   -0.0181352  53  VAL   A HG11 
617  H HG12 . VAL   A 41  ? 0.150328  0.20215   0.162485  -0.0260034  0.0399187   -0.0182542  53  VAL   A HG12 
618  H HG13 . VAL   A 41  ? 0.147185  0.202571  0.15893   -0.0253287  0.0446874   -0.0184015  53  VAL   A HG13 
619  H HG21 . VAL   A 41  ? 0.111065  0.235382  0.164752  -0.023952   0.0626381   -0.0132738  53  VAL   A HG21 
620  H HG22 . VAL   A 41  ? 0.112805  0.239973  0.165521  -0.0236144  0.0636829   -0.0112139  53  VAL   A HG22 
621  H HG23 . VAL   A 41  ? 0.112728  0.236842  0.16666   -0.0235031  0.0644101   -0.0144184  53  VAL   A HG23 
622  N N    . TYR   A 42  ? 0.143699  0.164401  0.147649  -0.0112277  0.0455486   -0.00637839 54  TYR   A N    
623  C CA   . TYR   A 42  ? 0.105875  0.175657  0.144924  -0.0154216  0.0561878   -0.00360658 54  TYR   A CA   
624  C C    . TYR   A 42  ? 0.106689  0.176425  0.147366  0.00179397  0.0528933   -0.0119131  54  TYR   A C    
625  O O    . TYR   A 42  ? 0.0652133 0.182912  0.140371  -0.0161388  0.0870385   0.006566    54  TYR   A O    
626  C CB   . TYR   A 42  ? 0.0958257 0.185046  0.154239  -0.00444382 0.0461282   -0.00954457 54  TYR   A CB   
627  C CG   . TYR   A 42  ? 0.113627  0.190844  0.169342  0.0117268   0.0300009   -0.00895273 54  TYR   A CG   
628  C CD1  . TYR   A 42  ? 0.154225  0.211304  0.18313   0.0340455   0.0195709   -0.0223812  54  TYR   A CD1  
629  C CD2  . TYR   A 42  ? 0.128088  0.191876  0.186969  -0.0021888  0.0162802   -0.00954048 54  TYR   A CD2  
630  C CE1  . TYR   A 42  ? 0.178828  0.214547  0.212361  0.0498746   0.0117312   -0.0215454  54  TYR   A CE1  
631  C CE2  . TYR   A 42  ? 0.0827884 0.215949  0.185656  -0.00208203 0.0192659   -0.020829   54  TYR   A CE2  
632  C CZ   . TYR   A 42  ? 0.149143  0.22952   0.182245  0.0331297   0.0111787   -0.00945343 54  TYR   A CZ   
633  O OH   . TYR   A 42  ? 0.130255  0.323478  0.208742  0.0376429   0.032589    -0.0161858  54  TYR   A OH   
634  H H    . TYR   A 42  ? 0.138433  0.167279  0.144206  -0.012199   0.0386574   -0.00640909 54  TYR   A H    
635  H HA   . TYR   A 42  ? 0.114895  0.172344  0.144199  -0.00776531 0.0468194   -0.00599904 54  TYR   A HA   
636  H HB2  . TYR   A 42  ? 0.107291  0.1805    0.152466  -0.00246592 0.0415283   -0.00636253 54  TYR   A HB2  
637  H HB3  . TYR   A 42  ? 0.107686  0.180057  0.1539    -0.00244739 0.0408634   -0.00635967 54  TYR   A HB3  
638  H HD1  . TYR   A 42  ? 0.150513  0.203638  0.183952  0.0263047   0.0192994   -0.0155997  54  TYR   A HD1  
639  H HD2  . TYR   A 42  ? 0.121123  0.194205  0.181133  0.00229422  0.0196745   -0.00992584 54  TYR   A HD2  
640  H HE1  . TYR   A 42  ? 0.167549  0.213295  0.197963  0.0359441   0.0135435   -0.0164322  54  TYR   A HE1  
641  H HE2  . TYR   A 42  ? 0.113591  0.205954  0.17928   0.00502023  0.0150635   -0.0146973  54  TYR   A HE2  
642  H HH   . TYR   A 42  ? 0.222527  0.222527  0.222527  0           0           0           54  TYR   A HH   
643  N N    . VAL   A 43  ? 0.0677222 0.178068  0.153215  -0.00894535 0.0442708   -0.012917   55  VAL   A N    
644  C CA   . VAL   A 43  ? 0.0808573 0.167975  0.16012   -0.00757603 0.0357023   -0.0069158  55  VAL   A CA   
645  C C    . VAL   A 43  ? 0.103326  0.162151  0.16405   -0.0219824  0.0292792   -0.0115623  55  VAL   A C    
646  O O    . VAL   A 43  ? 0.132271  0.175924  0.17636   0.0124083   0.014393    -0.0207121  55  VAL   A O    
647  C CB   . VAL   A 43  ? 0.0521256 0.179374  0.155313  -0.00125308 0.0592174   -0.00396142 55  VAL   A CB   
648  C CG1  . VAL   A 43  ? 0.0426787 0.195996  0.17885   -0.0177504  0.0670565   0.00161323  55  VAL   A CG1  
649  C CG2  . VAL   A 43  ? 0.0242481 0.172486  0.175734  0.00764999  0.0524452   -0.0284554  55  VAL   A CG2  
650  H H    . VAL   A 43  ? 0.0862403 0.171992  0.15087   -0.00450643 0.0409385   -0.00865724 55  VAL   A H    
651  H HA   . VAL   A 43  ? 0.0857094 0.16858   0.158623  -0.00673218 0.0368907   -0.00608071 55  VAL   A HA   
652  H HB   . VAL   A 43  ? 0.0602562 0.17505   0.160169  0.00020774  0.0507996   -0.00372193 55  VAL   A HB   
653  H HG11 . VAL   A 43  ? 0.0593007 0.187126  0.169954  -0.00959357 0.0603492   0.00232884  55  VAL   A HG11 
654  H HG12 . VAL   A 43  ? 0.0593015 0.18686   0.170479  -0.00932197 0.0594516   0.00294077  55  VAL   A HG12 
655  H HG13 . VAL   A 43  ? 0.0513319 0.184554  0.169412  -0.0130713  0.0599061   0.002518    55  VAL   A HG13 
656  H HG21 . VAL   A 43  ? 0.0355299 0.167492  0.165189  0.00344044  0.0525766   -0.0155268  55  VAL   A HG21 
657  H HG22 . VAL   A 43  ? 0.0411379 0.167133  0.165585  0.00789694  0.0534919   -0.01564    55  VAL   A HG22 
658  H HG23 . VAL   A 43  ? 0.0406868 0.169924  0.165093  0.00768145  0.0530148   -0.0147203  55  VAL   A HG23 
659  N N    . HIS   A 44  ? 0.137059  0.153381  0.157747  -0.0173484  0.0127029   -0.0225144  56  HIS   A N    
660  C CA   . HIS   A 44  ? 0.132619  0.152294  0.189328  -0.0186963  0.00391477  0.00403512  56  HIS   A CA   
661  C C    . HIS   A 44  ? 0.128873  0.150701  0.173951  -0.0278633  0.0137857   0.00286424  56  HIS   A C    
662  O O    . HIS   A 44  ? 0.124494  0.188984  0.148955  0.0190363   0.0269372   -0.00865668 56  HIS   A O    
663  C CB   . HIS   A 44  ? 0.168904  0.165648  0.212589  -0.0294013  0.00878193  0.0185025   56  HIS   A CB   
664  C CG   . HIS   A 44  ? 0.209288  0.197624  0.267578  -0.033698   -0.00270125 -0.0175111  56  HIS   A CG   
665  N ND1  . HIS   A 44  ? 0.235605  0.21483   0.322435  -0.01604    -0.0323414  -0.0195656  56  HIS   A ND1  
666  C CD2  . HIS   A 44  ? 0.228547  0.204583  0.307093  -0.0197606  0.0216529   -0.0378114  56  HIS   A CD2  
667  C CE1  . HIS   A 44  ? 0.259077  0.207324  0.311027  -0.0028167  -0.0403711  -0.0361498  56  HIS   A CE1  
668  N NE2  . HIS   A 44  ? 0.274984  0.271125  0.305622  -0.0182669  -0.0163889  -0.0156917  56  HIS   A NE2  
669  H H    . HIS   A 44  ? 0.129319  0.155296  0.157977  -0.0157427  0.0148921   -0.0131695  56  HIS   A H    
670  H HA   . HIS   A 44  ? 0.14049   0.156483  0.182109  -0.0184054  0.00851418  0.00063618  56  HIS   A HA   
671  H HB2  . HIS   A 44  ? 0.167835  0.171029  0.211703  -0.0236215  0.00577872  0.00723407  56  HIS   A HB2  
672  H HB3  . HIS   A 44  ? 0.167864  0.171088  0.211383  -0.0237467  0.00598563  0.00708443  56  HIS   A HB3  
673  H HD1  . HIS   A 44  ? 0.262422  0.262422  0.262422  0           0           0           56  HIS   A HD1  
674  H HD2  . HIS   A 44  ? 0.232145  0.2207    0.28639   -0.0189718  0.00973246  -0.024087   56  HIS   A HD2  
675  H HE1  . HIS   A 44  ? 0.255622  0.227069  0.300172  -0.00802293 -0.027406   -0.025198   56  HIS   A HE1  
676  H HE2  . HIS   A 44  ? 0.288259  0.288259  0.288259  0           0           0           56  HIS   A HE2  
677  N N    . TYR   A 45  ? 0.13311   0.152319  0.173631  -0.0208485  0.00804429  -0.0137685  57  TYR   A N    
678  C CA   . TYR   A 45  ? 0.129142  0.159025  0.167364  -0.00379214 0.00133147  -0.0022696  57  TYR   A CA   
679  C C    . TYR   A 45  ? 0.119641  0.171718  0.17854   -0.00570045 0.0184097   -0.00253514 57  TYR   A C    
680  O O    . TYR   A 45  ? 0.122058  0.166734  0.189678  0.00856727  0.0134936   -0.0295132  57  TYR   A O    
681  C CB   . TYR   A 45  ? 0.13121   0.156604  0.15792   0.00121497  -0.0247141  0.014231    57  TYR   A CB   
682  C CG   . TYR   A 45  ? 0.1348    0.138294  0.16252   0.00198319  -0.0130898  -0.00390028 57  TYR   A CG   
683  C CD1  . TYR   A 45  ? 0.150179  0.16407   0.151282  -0.00327773 -0.010131   0.00874653  57  TYR   A CD1  
684  C CD2  . TYR   A 45  ? 0.139822  0.161822  0.15968   -0.00254462 -0.0118607  0.00850467  57  TYR   A CD2  
685  C CE1  . TYR   A 45  ? 0.151067  0.190184  0.151775  0.00843879  -0.0255063  0.0101983   57  TYR   A CE1  
686  C CE2  . TYR   A 45  ? 0.152513  0.186494  0.149629  0.00174772  -0.0142148  0.0121243   57  TYR   A CE2  
687  C CZ   . TYR   A 45  ? 0.14325   0.212742  0.139493  0.00390695  -0.0096508  0.00126257  57  TYR   A CZ   
688  O OH   . TYR   A 45  ? 0.24095   0.247525  0.141426  -0.00246188 -0.019655   0.0167102   57  TYR   A OH   
689  H H    . TYR   A 45  ? 0.133623  0.153112  0.167558  -0.0164771  0.00709937  -0.00751012 57  TYR   A H    
690  H HA   . TYR   A 45  ? 0.131229  0.160042  0.165406  -0.00471393 0.00200198  -0.00140762 57  TYR   A HA   
691  H HB2  . TYR   A 45  ? 0.131301  0.153333  0.158457  -0.00058027 -0.0144935  0.0050961   57  TYR   A HB2  
692  H HB3  . TYR   A 45  ? 0.134024  0.154432  0.159133  -0.00091557 -0.0135236  0.00558681  57  TYR   A HB3  
693  H HD1  . TYR   A 45  ? 0.148185  0.163529  0.153896  0.00013666  -0.0123143  0.00540216  57  TYR   A HD1  
694  H HD2  . TYR   A 45  ? 0.142721  0.161412  0.156953  -0.0002857  -0.0104575  0.00552657  57  TYR   A HD2  
695  H HE1  . TYR   A 45  ? 0.148319  0.186024  0.14889   0.00450851  -0.0172938  0.0074209   57  TYR   A HE1  
696  H HE2  . TYR   A 45  ? 0.151752  0.18456   0.152118  0.00053936  -0.0111594  0.00806456  57  TYR   A HE2  
697  H HH   . TYR   A 45  ? 0.207582  0.207582  0.207582  0           0           0           57  TYR   A HH   
698  N N    . LYS   A 46  ? 0.114621  0.184923  0.174363  0.0334074   0.0308885   0.0083051   58  LYS   A N    
699  C CA   . LYS   A 46  ? 0.141202  0.203286  0.184151  0.037969    0.0512079   -0.019003   58  LYS   A CA   
700  C C    . LYS   A 46  ? 0.132881  0.203005  0.165545  0.0344355   0.0387323   -0.029155   58  LYS   A C    
701  O O    . LYS   A 46  ? 0.12593   0.230052  0.162262  0.0242088   0.0650144   -0.0406937  58  LYS   A O    
702  C CB   . LYS   A 46  ? 0.134745  0.219314  0.226204  0.0221596   0.0613624   0.00426642  58  LYS   A CB   
703  C CG   . LYS   A 46  ? 0.151954  0.250776  0.242499  0.0161672   0.0980742   -0.0193392  58  LYS   A CG   
704  C CD   . LYS   A 46  ? 0.216696  0.255852  0.239903  0.0363431   0.101466    -0.0350701  58  LYS   A CD   
705  C CE   . LYS   A 46  ? 0.279609  0.282256  0.2874    0.0273347   0.124698    -0.0487835  58  LYS   A CE   
706  N NZ   . LYS   A 46  ? 0.229947  0.234528  0.257408  -0.0444127  0.081836    -0.0755095  58  LYS   A NZ   
707  H H    . LYS   A 46  ? 0.125565  0.183014  0.176608  0.0217458   0.0291424   0.00114477  58  LYS   A H    
708  H HA   . LYS   A 46  ? 0.137917  0.199329  0.182534  0.0291915   0.0407057   -0.0109277  58  LYS   A HA   
709  H HB2  . LYS   A 46  ? 0.146163  0.219628  0.215374  0.0218565   0.0591153   -0.00547429 58  LYS   A HB2  
710  H HB3  . LYS   A 46  ? 0.148059  0.221577  0.216853  0.0200429   0.0579688   -0.00412808 58  LYS   A HB3  
711  H HG2  . LYS   A 46  ? 0.16557   0.240474  0.235623  0.0197596   0.0795678   -0.0144909  58  LYS   A HG2  
712  H HG3  . LYS   A 46  ? 0.165292  0.240535  0.234165  0.0199848   0.0799007   -0.0155863  58  LYS   A HG3  
713  H HD2  . LYS   A 46  ? 0.211476  0.257744  0.248541  0.0246843   0.0929549   -0.0298421  58  LYS   A HD2  
714  H HD3  . LYS   A 46  ? 0.21105   0.256576  0.246418  0.0240508   0.0926082   -0.0320417  58  LYS   A HD3  
715  H HE2  . LYS   A 46  ? 0.258238  0.267683  0.272673  0.00664461  0.0973604   -0.044071   58  LYS   A HE2  
716  H HE3  . LYS   A 46  ? 0.252947  0.267579  0.282771  0.0106277   0.100023    -0.0401626  58  LYS   A HE3  
717  H HZ1  . LYS   A 46  ? 0.23451   0.242854  0.252181  -0.0230023  0.0776237   -0.0620441  58  LYS   A HZ1  
718  H HZ2  . LYS   A 46  ? 0.238133  0.244257  0.259007  -0.0222761  0.0813116   -0.0594908  58  LYS   A HZ2  
719  H HZ3  . LYS   A 46  ? 0.236646  0.243949  0.25906   -0.0218537  0.0808552   -0.0595497  58  LYS   A HZ3  
720  N N    . GLY   A 47  ? 0.146613  0.221473  0.175336  0.0416823   0.0320986   -0.0708263  59  GLY   A N    
721  C CA   . GLY   A 47  ? 0.212065  0.238335  0.204791  0.0267146   -0.00477633 -0.0684276  59  GLY   A CA   
722  C C    . GLY   A 47  ? 0.202748  0.216281  0.211792  0.0463229   -0.0128856  -0.0438471  59  GLY   A C    
723  O O    . GLY   A 47  ? 0.199702  0.222412  0.230319  0.0441485   -0.0225227  -0.0542272  59  GLY   A O    
724  H H    . GLY   A 47  ? 0.158329  0.212819  0.175834  0.0315395   0.0236197   -0.0538455  59  GLY   A H    
725  H HA2  . GLY   A 47  ? 0.194163  0.228393  0.199528  0.0305302   0.00396129  -0.0557492  59  GLY   A HA2  
726  H HA3  . GLY   A 47  ? 0.194943  0.230899  0.202422  0.0301592   0.00450569  -0.0575935  59  GLY   A HA3  
727  N N    . LYS   A 48  ? 0.198081  0.219519  0.190857  0.0569974   -0.022178   -0.0458237  60  LYS   A N    
728  C CA   . LYS   A 48  ? 0.212952  0.256851  0.228688  0.0392247   0.00415004  -0.0564055  60  LYS   A CA   
729  C C    . LYS   A 48  ? 0.194382  0.264776  0.220839  0.0375839   0.0108903   -0.037352   60  LYS   A C    
730  O O    . LYS   A 48  ? 0.166421  0.263527  0.214483  0.0312423   0.0163983   -0.0415991  60  LYS   A O    
731  C CB   . LYS   A 48  ? 0.237242  0.276564  0.291175  0.0366573   0.00613333  -0.0517954  60  LYS   A CB   
732  C CG   . LYS   A 48  ? 0.272854  0.267842  0.289765  0.0311111   0.00567376  -0.0292543  60  LYS   A CG   
733  C CD   . LYS   A 48  ? 0.323878  0.269133  0.364377  -0.0124492  -0.00217346 0.00180463  60  LYS   A CD   
734  C CE   . LYS   A 48  ? 0.321456  0.328684  0.425512  -0.0164554  0.0103406   0.0338111   60  LYS   A CE   
735  N NZ   . LYS   A 48  ? 0.338636  0.327037  0.479673  0.00552493  0.00556716  0.0480555   60  LYS   A NZ   
736  H H    . LYS   A 48  ? 0.201424  0.220814  0.200503  0.0436908   -0.0117293  -0.0438314  60  LYS   A H    
737  H HA   . LYS   A 48  ? 0.211941  0.250899  0.227152  0.037249    0.00057561  -0.043601   60  LYS   A HA   
738  H HB2  . LYS   A 48  ? 0.24147   0.270061  0.273225  0.0316158   0.00578242  -0.0416231  60  LYS   A HB2  
739  H HB3  . LYS   A 48  ? 0.241942  0.270283  0.272783  0.0320912   0.00565289  -0.041662   60  LYS   A HB3  
740  H HG2  . LYS   A 48  ? 0.269699  0.272202  0.299442  0.0222003   0.00653369  -0.0256171  60  LYS   A HG2  
741  H HG3  . LYS   A 48  ? 0.272992  0.273578  0.300027  0.0223701   0.00515147  -0.0249712  60  LYS   A HG3  
742  H HD2  . LYS   A 48  ? 0.317461  0.286399  0.352265  -0.00313559 -4.96e-06   0.00107261  60  LYS   A HD2  
743  H HD3  . LYS   A 48  ? 0.308875  0.283368  0.350704  -0.00423313 0.00156283  -0.000697   60  LYS   A HD3  
744  H HE2  . LYS   A 48  ? 0.328799  0.319828  0.411222  -0.00799688 0.00728804  0.0251628   60  LYS   A HE2  
745  H HE3  . LYS   A 48  ? 0.330401  0.320691  0.411628  -0.00745335 0.00717989  0.0256268   60  LYS   A HE3  
746  H HZ1  . LYS   A 48  ? 0.341552  0.338101  0.452211  0.00126195  0.00854929  0.0384853   60  LYS   A HZ1  
747  H HZ2  . LYS   A 48  ? 0.342558  0.336558  0.452221  -0.00060233 0.00694141  0.0378791   60  LYS   A HZ2  
748  H HZ3  . LYS   A 48  ? 0.340442  0.337146  0.458045  -0.0001742  0.00819172  0.0378405   60  LYS   A HZ3  
749  N N    . LEU   A 49  ? 0.221993  0.277391  0.23615   0.0384484   0.0250667   -0.0336767  61  LEU   A N    
750  C CA   . LEU   A 49  ? 0.242147  0.332823  0.274586  0.0273105   0.00359636  -0.0353658  61  LEU   A CA   
751  C C    . LEU   A 49  ? 0.312709  0.320875  0.378702  0.0328994   -0.0871787  0.00211615  61  LEU   A C    
752  O O    . LEU   A 49  ? 0.295603  0.319571  0.387387  0.0394312   -0.114216   0.0108387   61  LEU   A O    
753  C CB   . LEU   A 49  ? 0.262866  0.370601  0.287682  0.00936492  0.0231294   -0.0398554  61  LEU   A CB   
754  C CG   . LEU   A 49  ? 0.325014  0.413116  0.304804  -0.0147192  0.0117432   -0.0356026  61  LEU   A CG   
755  C CD1  . LEU   A 49  ? 0.361613  0.471014  0.324345  -0.0553956  0.0429258   -0.0147519  61  LEU   A CD1  
756  C CD2  . LEU   A 49  ? 0.351117  0.426192  0.276462  -0.0113431  -0.0236045  -0.0116561  61  LEU   A CD2  
757  H H    . LEU   A 49  ? 0.222201  0.280073  0.239643  0.0312102   0.0156048   -0.0313542  61  LEU   A H    
758  H HA   . LEU   A 49  ? 0.255523  0.322804  0.283356  0.0239725   -0.00164975 -0.0257542  61  LEU   A HA   
759  H HB2  . LEU   A 49  ? 0.275595  0.362883  0.292661  0.00881629  0.0153677   -0.0326052  61  LEU   A HB2  
760  H HB3  . LEU   A 49  ? 0.273085  0.36152   0.291045  0.00773631  0.0149361   -0.0326322  61  LEU   A HB3  
761  H HG   . LEU   A 49  ? 0.323763  0.405901  0.305502  -0.0112224  0.0133556   -0.0242763  61  LEU   A HG   
762  H HD11 . LEU   A 49  ? 0.354442  0.452592  0.329497  -0.0364177  0.0310489   -0.018454   61  LEU   A HD11 
763  H HD12 . LEU   A 49  ? 0.354755  0.446676  0.333943  -0.0351777  0.0331436   -0.0189344  61  LEU   A HD12 
764  H HD13 . LEU   A 49  ? 0.354719  0.446428  0.329489  -0.035094   0.0309887   -0.0179356  61  LEU   A HD13 
765  H HD21 . LEU   A 49  ? 0.344708  0.412686  0.296246  -0.0086742  -0.0139711  -0.0128579  61  LEU   A HD21 
766  H HD22 . LEU   A 49  ? 0.345472  0.414522  0.293817  -0.00807576 -0.0112205  -0.0139684  61  LEU   A HD22 
767  H HD23 . LEU   A 49  ? 0.343322  0.413769  0.287054  -0.00828846 -0.0143056  -0.0129556  61  LEU   A HD23 
768  N N    . SER   A 50  ? 0.331674  0.350051  0.505869  0.0412803   -0.135398   -0.0176164  62  SER   A N    
769  C CA   . SER   A 50  ? 0.426748  0.441174  0.550648  0.0780435   -0.136873   -0.00435121 62  SER   A CA   
770  C C    . SER   A 50  ? 0.288591  0.464442  0.700583  0.108824    -0.122747   0.0448148   62  SER   A C    
771  O O    . SER   A 50  ? 0.510268  0.568788  0.795813  0.0456552   -0.132421   0.170496    62  SER   A O    
772  C CB   . SER   A 50  ? 0.463596  0.449446  0.564973  0.0794919   -0.173785   0.00138395  62  SER   A CB   
773  O OG   . SER   A 50  ? 0.681831  0.59032   0.609205  0.0675291   -0.0596801  -0.0217404  62  SER   A OG   
774  H H    . SER   A 50  ? 0.347354  0.363464  0.462535  0.0406272   -0.102796   -0.00787932 62  SER   A H    
775  H HA   . SER   A 50  ? 0.400342  0.432165  0.555602  0.0667248   -0.121069   0.00364935  62  SER   A HA   
776  H HB2  . SER   A 50  ? 0.486698  0.475157  0.558263  0.0680201   -0.124444   -0.00182291 62  SER   A HB2  
777  H HB3  . SER   A 50  ? 0.479756  0.470968  0.542531  0.0713252   -0.133724   0.00439246  62  SER   A HB3  
778  H HG   . SER   A 50  ? 0.630724  0.630724  0.630724  0           0           0           62  SER   A HG   
779  N N    . ASN   A 51  ? 0.468243  0.685721  0.754621  0.137124    -0.00635026 -0.0146582  63  ASN   A N    
780  C CA   . ASN   A 51  ? 0.513109  0.796135  0.758127  0.136315    0.074855    -0.0584284  63  ASN   A CA   
781  C C    . ASN   A 51  ? 0.614707  0.810702  0.811085  0.0538475   0.134667    -0.128125   63  ASN   A C    
782  O O    . ASN   A 51  ? 0.815053  0.831608  0.840353  0.0233469   0.106912    -0.105095   63  ASN   A O    
783  C CB   . ASN   A 51  ? 0.467185  0.868847  0.650308  0.152071    0.121422    -0.0338784  63  ASN   A CB   
784  H H    . ASN   A 51  ? 0.445827  0.649819  0.727178  0.108304    -0.0186711  -0.0144854  63  ASN   A H    
785  H HA   . ASN   A 51  ? 0.534194  0.775448  0.745782  0.109567    0.0674805   -0.0464764  63  ASN   A HA   
786  H HB2  . ASN   A 51  ? 0.659474  0.659474  0.659474  0           0           0           63  ASN   A HB2  
787  H HB3  . ASN   A 51  ? 0.659474  0.659474  0.659474  0           0           0           63  ASN   A HB3  
788  N N    . GLY   A 52  ? 0.654506  0.808055  0.852817  0.00656852  0.161377    -0.147072   64  GLY   A N    
789  C CA   . GLY   A 52  ? 0.69421   0.806403  0.823355  0.0410937   0.183779    -0.0569099  64  GLY   A CA   
790  C C    . GLY   A 52  ? 0.771455  0.745868  0.798388  0.0876961   0.139374    -0.0876342  64  GLY   A C    
791  O O    . GLY   A 52  ? 0.70202   0.867532  0.978725  0.22241     0.197999    0.0951434   64  GLY   A O    
792  H H    . GLY   A 52  ? 0.670284  0.804736  0.835808  0.0257335   0.136038    -0.106492   64  GLY   A H    
793  H HA2  . GLY   A 52  ? 0.703979  0.787693  0.814467  0.0401801   0.148999    -0.0745845  64  GLY   A HA2  
794  H HA3  . GLY   A 52  ? 0.700287  0.781802  0.807564  0.0370965   0.146029    -0.0735214  64  GLY   A HA3  
795  N N    . LYS   A 53  ? 0.704592  0.634141  0.681087  0.114877    0.0828346   -0.0775396  65  LYS   A N    
796  C CA   . LYS   A 53  ? 0.593584  0.617953  0.631736  0.117725    0.0987251   -0.00241265 65  LYS   A CA   
797  C C    . LYS   A 53  ? 0.537836  0.518058  0.511374  0.109335    0.114248    -0.0632101  65  LYS   A C    
798  O O    . LYS   A 53  ? 0.580856  0.630463  0.456365  0.095432    0.115794    -0.0140221  65  LYS   A O    
799  C CB   . LYS   A 53  ? 0.635727  0.630462  0.6027    0.0906131   0.191574    0.0178814   65  LYS   A CB   
800  H H    . LYS   A 53  ? 0.691582  0.654617  0.696861  0.0954447   0.0819798   -0.0528796  65  LYS   A H    
801  H HA   . LYS   A 53  ? 0.610675  0.600981  0.621028  0.0973532   0.0958868   -0.0228188  65  LYS   A HA   
802  H HB2  . LYS   A 53  ? 0.628825  0.628825  0.628825  0           0           0           65  LYS   A HB2  
803  H HB3  . LYS   A 53  ? 0.628825  0.628825  0.628825  0           0           0           65  LYS   A HB3  
804  N N    . LYS   A 54  ? 0.329437  0.418793  0.335095  0.0580348   0.113281    -0.07595    66  LYS   A N    
805  C CA   . LYS   A 54  ? 0.282992  0.390243  0.292924  0.0656587   0.111929    -0.108919   66  LYS   A CA   
806  C C    . LYS   A 54  ? 0.239542  0.388071  0.259592  0.0378425   0.0870458   -0.0868877  66  LYS   A C    
807  O O    . LYS   A 54  ? 0.234021  0.439851  0.26096   0.0857977   0.0173832   -0.0843118  66  LYS   A O    
808  C CB   . LYS   A 54  ? 0.255035  0.4042    0.325605  0.0655785   0.105994    -0.0744656  66  LYS   A CB   
809  C CG   . LYS   A 54  ? 0.277663  0.446541  0.404768  0.0783392   0.130382    -0.055821   66  LYS   A CG   
810  C CD   . LYS   A 54  ? 0.304117  0.472998  0.409202  0.0699915   0.135292    -0.0443086  66  LYS   A CD   
811  C CE   . LYS   A 54  ? 0.304982  0.497432  0.468209  0.122426    0.158969    -0.0283741  66  LYS   A CE   
812  N NZ   . LYS   A 54  ? 0.388387  0.556697  0.532836  0.0903169   0.152691    -0.039176   66  LYS   A NZ   
813  H H    . LYS   A 54  ? 0.342687  0.413832  0.346523  0.0603358   0.0978421   -0.0733478  66  LYS   A H    
814  H HA   . LYS   A 54  ? 0.280209  0.384224  0.300395  0.0513911   0.0927126   -0.0836007  66  LYS   A HA   
815  H HB2  . LYS   A 54  ? 0.270815  0.398001  0.331876  0.0602768   0.0990575   -0.0700705  66  LYS   A HB2  
816  H HB3  . LYS   A 54  ? 0.266358  0.399374  0.33213   0.0631917   0.0982278   -0.0686145  66  LYS   A HB3  
817  H HG2  . LYS   A 54  ? 0.287504  0.43828   0.385229  0.0679503   0.113866    -0.0495583  66  LYS   A HG2  
818  H HG3  . LYS   A 54  ? 0.288516  0.435827  0.384404  0.0663171   0.113259    -0.0514011  66  LYS   A HG3  
819  H HD2  . LYS   A 54  ? 0.306755  0.461576  0.416818  0.0727825   0.12378     -0.0411952  66  LYS   A HD2  
820  H HD3  . LYS   A 54  ? 0.308868  0.464592  0.418518  0.0741017   0.12577     -0.0399116  66  LYS   A HD3  
821  H HE2  . LYS   A 54  ? 0.32872   0.497788  0.462958  0.0941382   0.136445    -0.029543   66  LYS   A HE2  
822  H HE3  . LYS   A 54  ? 0.321726  0.494388  0.459863  0.0960226   0.132229    -0.0296105  66  LYS   A HE3  
823  H HZ1  . LYS   A 54  ? 0.383742  0.535528  0.512682  0.0845661   0.142013    -0.0342933  66  LYS   A HZ1  
824  H HZ2  . LYS   A 54  ? 0.375263  0.534833  0.511724  0.090091    0.139039    -0.0310777  66  LYS   A HZ2  
825  H HZ3  . LYS   A 54  ? 0.379307  0.534655  0.516289  0.087683    0.13351     -0.030381   66  LYS   A HZ3  
826  N N    . PHE   A 55  ? 0.183207  0.372452  0.190552  0.0436597   0.111157    -0.0928081  67  PHE   A N    
827  C CA   . PHE   A 55  ? 0.202955  0.298221  0.155393  0.0466507   0.103433    -0.0562202  67  PHE   A CA   
828  C C    . PHE   A 55  ? 0.209684  0.287591  0.107139  0.0274626   0.0655691   -0.0518612  67  PHE   A C    
829  O O    . PHE   A 55  ? 0.180151  0.425715  0.141964  0.0223709   0.0776744   -0.12624    67  PHE   A O    
830  C CB   . PHE   A 55  ? 0.250913  0.268364  0.193074  0.0376611   0.0663015   -0.04254    67  PHE   A CB   
831  C CG   . PHE   A 55  ? 0.24013   0.286384  0.254289  0.0444878   0.0685856   -0.0215328  67  PHE   A CG   
832  C CD1  . PHE   A 55  ? 0.242199  0.247467  0.262355  0.0370321   0.0529024   0.00126415  67  PHE   A CD1  
833  C CD2  . PHE   A 55  ? 0.250255  0.314186  0.296377  0.0401172   0.0363585   -0.0164152  67  PHE   A CD2  
834  C CE1  . PHE   A 55  ? 0.244793  0.260926  0.293842  0.0264908   0.0652622   0.020828    67  PHE   A CE1  
835  C CE2  . PHE   A 55  ? 0.288206  0.306376  0.300853  0.0164782   0.0505193   -0.0108183  67  PHE   A CE2  
836  C CZ   . PHE   A 55  ? 0.245806  0.277002  0.312861  0.0144018   0.098897    0.0153688   67  PHE   A CZ   
837  H H    . PHE   A 55  ? 0.208084  0.342219  0.197094  0.0398991   0.0923691   -0.0726963  67  PHE   A H    
838  H HA   . PHE   A 55  ? 0.211367  0.293858  0.166748  0.037429    0.0804599   -0.0503683  67  PHE   A HA   
839  H HB2  . PHE   A 55  ? 0.238257  0.275012  0.200341  0.0360417   0.0680594   -0.0365837  67  PHE   A HB2  
840  H HB3  . PHE   A 55  ? 0.236184  0.272649  0.19758   0.03563     0.0665894   -0.0385227  67  PHE   A HB3  
841  H HD1  . PHE   A 55  ? 0.242519  0.260114  0.260527  0.0311563   0.0513516   -0.00107408 67  PHE   A HD1  
842  H HD2  . PHE   A 55  ? 0.256162  0.303607  0.284934  0.0300663   0.0421742   -0.0142061  67  PHE   A HD2  
843  H HE1  . PHE   A 55  ? 0.246183  0.263913  0.285348  0.0228893   0.0612808   0.012011    67  PHE   A HE1  
844  H HE2  . PHE   A 55  ? 0.271328  0.302     0.297575  0.0187529   0.0513076   -0.00556137 67  PHE   A HE2  
845  H HZ   . PHE   A 55  ? 0.250918  0.281292  0.291658  0.0157189   0.076686    0.0090044   67  PHE   A HZ   
846  N N    . ASP   A 56  ? 0.178553  0.228892  0.130994  0.026914    0.035051    -0.0291107  68  ASP   A N    
847  C CA   . ASP   A 56  ? 0.193412  0.241732  0.149451  0.0106958   0.0217838   -0.0219571  68  ASP   A CA   
848  C C    . ASP   A 56  ? 0.171788  0.2472    0.166831  0.00503305  0.00754388  -0.0174272  68  ASP   A C    
849  O O    . ASP   A 56  ? 0.18822   0.275699  0.185428  -0.0183706  0.0125538   -0.0302858  68  ASP   A O    
850  C CB   . ASP   A 56  ? 0.199167  0.252199  0.191144  0.0244955   0.0117821   -0.00270979 68  ASP   A CB   
851  C CG   . ASP   A 56  ? 0.233566  0.261484  0.202113  0.00526227  -0.0172642  0.0146012   68  ASP   A CG   
852  O OD1  . ASP   A 56  ? 0.29603   0.342237  0.236139  -0.0177762  -0.0252981  -0.0138088  68  ASP   A OD1  
853  O OD2  . ASP   A 56  ? 0.250002  0.25319   0.260187  0.0165221   0.0218198   0.0116645   68  ASP   A OD2  
854  H H    . ASP   A 56  ? 0.187516  0.237312  0.136241  0.0218886   0.0360767   -0.0278666  68  ASP   A H    
855  H HA   . ASP   A 56  ? 0.187923  0.235992  0.159254  0.0134786   0.0185814   -0.0183421  68  ASP   A HA   
856  H HB2  . ASP   A 56  ? 0.204414  0.247871  0.185791  0.0157309   0.00960716  -0.00263254 68  ASP   A HB2  
857  H HB3  . ASP   A 56  ? 0.206011  0.249224  0.188315  0.016125    0.00952247  -0.00110227 68  ASP   A HB3  
858  N N    . SER   A 57  ? 0.17095   0.25574   0.171165  0.00086849  -0.0137096  -0.0122927  69  SER   A N    
859  C CA   . SER   A 57  ? 0.183501  0.271846  0.197407  0.0294784   -0.00518883 -0.0152566  69  SER   A CA   
860  C C    . SER   A 57  ? 0.182103  0.255175  0.164855  0.0167886   -0.0150174  -0.0292496  69  SER   A C    
861  O O    . SER   A 57  ? 0.25568   0.336294  0.187566  0.0149022   -0.0431872  -0.0635391  69  SER   A O    
862  C CB   . SER   A 57  ? 0.220725  0.360069  0.232143  0.0505696   -0.0134565  0.0610031   69  SER   A CB   
863  O OG   . SER   A 57  ? 0.311355  0.483778  0.335382  0.0474205   -0.00286565 0.0726284   69  SER   A OG   
864  H H    . SER   A 57  ? 0.177048  0.25018   0.174536  0.00758508  -0.00463339 -0.0128233  69  SER   A H    
865  H HA   . SER   A 57  ? 0.187942  0.265125  0.19127   0.0208176   -0.00691912 -0.00612348 69  SER   A HA   
866  H HB2  . SER   A 57  ? 0.220811  0.33622   0.239033  0.0411271   -0.00832343 0.0378949   69  SER   A HB2  
867  H HB3  . SER   A 57  ? 0.226715  0.340549  0.244081  0.0408284   -0.00445784 0.0393723   69  SER   A HB3  
868  H HG   . SER   A 57  ? 0.377421  0.377421  0.377421  0           0           0           69  SER   A HG   
869  N N    . SER   A 58  ? 0.202561  0.232228  0.161176  -0.00159746 -0.00528794 -0.0483708  70  SER   A N    
870  C CA   . SER   A 58  ? 0.190124  0.220966  0.200795  0.0169325   -0.00310631 -0.028946   70  SER   A CA   
871  C C    . SER   A 58  ? 0.203301  0.254783  0.239491  -0.0131162  0.00874956  -0.046513   70  SER   A C    
872  O O    . SER   A 58  ? 0.218612  0.252959  0.25318   -0.0328032  -0.0176754  -0.043955   70  SER   A O    
873  C CB   . SER   A 58  ? 0.165556  0.250298  0.211335  0.022471    0.00764061  -0.043457   70  SER   A CB   
874  O OG   . SER   A 58  ? 0.157143  0.231127  0.207075  0.00393973  0.0165823   -0.0470092  70  SER   A OG   
875  H H    . SER   A 58  ? 0.194036  0.228644  0.166817  0.0052588   -0.00753636 -0.0384037  70  SER   A H    
876  H HA   . SER   A 58  ? 0.191933  0.231655  0.198195  0.00834461  0.00108947  -0.0331786  70  SER   A HA   
877  H HB2  . SER   A 58  ? 0.172325  0.236784  0.207637  0.0153754   0.00638035  -0.0352481  70  SER   A HB2  
878  H HB3  . SER   A 58  ? 0.17507   0.239602  0.207842  0.0169173   0.00664489  -0.035812   70  SER   A HB3  
879  H HG   . SER   A 58  ? 0.200616  0.200616  0.200616  0           0           0           70  SER   A HG   
880  N N    . HIS   A 59  ? 0.289456  0.245932  0.284479  -0.0461169  0.0530945   -0.0294557  71  HIS   A N    
881  C CA   . HIS   A 59  ? 0.34601   0.258684  0.344433  -0.0626184  0.0395799   -0.0292473  71  HIS   A CA   
882  C C    . HIS   A 59  ? 0.395133  0.246976  0.450168  -0.0866079  0.0922135   -0.0740875  71  HIS   A C    
883  O O    . HIS   A 59  ? 0.324313  0.324973  0.524272  -0.0672712  0.157557    -0.154573   71  HIS   A O    
884  C CB   . HIS   A 59  ? 0.401     0.268624  0.382824  -0.0550181  0.0454591   0.00743929  71  HIS   A CB   
885  C CG   . HIS   A 59  ? 0.431189  0.327875  0.413604  -0.0166941  0.0382501   -0.0214328  71  HIS   A CG   
886  N ND1  . HIS   A 59  ? 0.391721  0.388536  0.472587  0.0441869   -0.0224039  -0.0228561  71  HIS   A ND1  
887  C CD2  . HIS   A 59  ? 0.423768  0.381098  0.45918   -0.00284446 0.0973849   -0.0363186  71  HIS   A CD2  
888  C CE1  . HIS   A 59  ? 0.317279  0.374557  0.509313  0.0837286   -0.0459293  -0.0278171  71  HIS   A CE1  
889  N NE2  . HIS   A 59  ? 0.430177  0.365165  0.493155  -0.0319453  0.0763258   0.0246288   71  HIS   A NE2  
890  H H    . HIS   A 59  ? 0.279543  0.255858  0.280221  -0.030343   0.0377359   -0.0279591  71  HIS   A H    
891  H HA   . HIS   A 59  ? 0.343851  0.265404  0.345586  -0.0519304  0.045867    -0.0258652  71  HIS   A HA   
892  H HB2  . HIS   A 59  ? 0.390483  0.288418  0.3746    -0.0427056  0.0377143   -0.00492716 71  HIS   A HB2  
893  H HB3  . HIS   A 59  ? 0.384309  0.281069  0.374176  -0.0461273  0.0398793   -0.00356503 71  HIS   A HB3  
894  H HD1  . HIS   A 59  ? 0.42061   0.42061   0.42061   0           0           0           71  HIS   A HD1  
895  H HD2  . HIS   A 59  ? 0.428963  0.373363  0.449591  -0.00758485 0.0679312   -0.016478   71  HIS   A HD2  
896  H HE1  . HIS   A 59  ? 0.362394  0.378807  0.480563  0.0390747   -0.0097497  -0.0134758  71  HIS   A HE1  
897  H HE2  . HIS   A 59  ? 0.435048  0.435048  0.435048  0           0           0           71  HIS   A HE2  
898  N N    . ASP   A 60  ? 0.462717  0.355285  0.480492  -0.0871996  0.117505    -0.139675   72  ASP   A N    
899  C CA   . ASP   A 60  ? 0.571865  0.40597   0.591889  -0.0992646  0.106858    -0.207147   72  ASP   A CA   
900  C C    . ASP   A 60  ? 0.517108  0.504775  0.549725  -0.15783    0.0602274   -0.217239   72  ASP   A C    
901  O O    . ASP   A 60  ? 0.822144  0.54564   0.579774  -0.208827   0.141786    -0.321486   72  ASP   A O    
902  C CB   . ASP   A 60  ? 0.580254  0.53799   0.692972  -0.0590263  0.146197    -0.26361    72  ASP   A CB   
903  C CG   . ASP   A 60  ? 0.733552  0.665547  0.908693  0.0233193   0.160754    -0.306036   72  ASP   A CG   
904  O OD1  . ASP   A 60  ? 0.815743  0.71867   1.20542   0.0112034   0.230227    -0.406808   72  ASP   A OD1  
905  O OD2  . ASP   A 60  ? 0.754409  0.746359  0.745096  0.046607    0.375563    -0.417007   72  ASP   A OD2  
906  H H    . ASP   A 60  ? 0.456609  0.350297  0.47867   -0.0704782  0.094872    -0.112381   72  ASP   A H    
907  H HA   . ASP   A 60  ? 0.535107  0.439115  0.563292  -0.084569   0.0954449   -0.171288   72  ASP   A HA   
908  H HB2  . ASP   A 60  ? 0.60245   0.541282  0.678651  -0.042831   0.123434    -0.221891   72  ASP   A HB2  
909  H HB3  . ASP   A 60  ? 0.602508  0.533765  0.676204  -0.0447003  0.122137    -0.221853   72  ASP   A HB3  
910  N N    . ARG   A 61  ? 0.515749  0.544541  0.498396  -0.160666   0.0231195   -0.181604   73  ARG   A N    
911  C CA   . ARG   A 61  ? 0.495911  0.601118  0.490158  -0.116079   0.0127298   -0.128259   73  ARG   A CA   
912  C C    . ARG   A 61  ? 0.447701  0.563735  0.450219  -0.124452   -0.059873   -0.0928231  73  ARG   A C    
913  O O    . ARG   A 61  ? 0.465855  0.735168  0.448298  -0.195447   -0.129942   -0.118781   73  ARG   A O    
914  C CB   . ARG   A 61  ? 0.549725  0.610449  0.484658  -0.043187   -0.0327931  -0.107933   73  ARG   A CB   
915  H H    . ARG   A 61  ? 0.508014  0.531402  0.50716   -0.134339   0.0235239   -0.159728   73  ARG   A H    
916  H HA   . ARG   A 61  ? 0.50375   0.578148  0.493214  -0.0979275  -0.00343811 -0.109508   73  ARG   A HA   
917  H HB2  . ARG   A 61  ? 0.545868  0.545868  0.545868  0           0           0           73  ARG   A HB2  
918  H HB3  . ARG   A 61  ? 0.545868  0.545868  0.545868  0           0           0           73  ARG   A HB3  
919  N N    . ASN   A 62  ? 0.316466  0.38451   0.414209  -0.106878   -0.00540569 -0.0872804  74  ASN   A N    
920  C CA   . ASN   A 62  ? 0.350369  0.331751  0.404283  -0.106953   0.0200357   -0.0369612  74  ASN   A CA   
921  C C    . ASN   A 62  ? 0.29451   0.306257  0.34624   -0.144893   0.0294592   -0.0313306  74  ASN   A C    
922  O O    . ASN   A 62  ? 0.276438  0.290873  0.315609  -0.0771821  0.0325318   -0.00027584 74  ASN   A O    
923  C CB   . ASN   A 62  ? 0.355498  0.353562  0.494821  -0.0844297  0.0122487   -0.055525   74  ASN   A CB   
924  C CG   . ASN   A 62  ? 0.410508  0.339131  0.481109  -0.0756736  -0.00198837 0.00795228  74  ASN   A CG   
925  O OD1  . ASN   A 62  ? 0.404782  0.460347  0.505868  -0.0359157  -0.054536   0.00122327  74  ASN   A OD1  
926  N ND2  . ASN   A 62  ? 0.457565  0.331357  0.568218  -0.0258403  -0.00672761 0.0291193   74  ASN   A ND2  
927  H H    . ASN   A 62  ? 0.339333  0.401332  0.410277  -0.0952177  -0.0113519  -0.0667179  74  ASN   A H    
928  H HA   . ASN   A 62  ? 0.3365    0.344408  0.401683  -0.095274   0.015092    -0.0407628  74  ASN   A HA   
929  H HB2  . ASN   A 62  ? 0.370509  0.35294   0.460573  -0.0735167  0.012087    -0.0306665  74  ASN   A HB2  
930  H HB3  . ASN   A 62  ? 0.373959  0.355114  0.464916  -0.0747877  0.0137646   -0.0303739  74  ASN   A HB3  
931  H HD21 . ASN   A 62  ? 0.450533  0.354724  0.535228  -0.0326591  -0.00662536 0.0191283   74  ASN   A HD21 
932  H HD22 . ASN   A 62  ? 0.44629   0.353598  0.536852  -0.034526   0.00100565  0.0212806   74  ASN   A HD22 
933  N N    . GLU   A 63  ? 0.408778  0.263826  0.275369  -0.118171   0.00555353  -0.0442025  75  GLU   A N    
934  C CA   . GLU   A 63  ? 0.396351  0.287344  0.316335  -0.1051     -0.0367696  -0.0583816  75  GLU   A CA   
935  C C    . GLU   A 63  ? 0.330782  0.261088  0.277847  -0.0993842  -0.0179695  -0.042035   75  GLU   A C    
936  O O    . GLU   A 63  ? 0.35114   0.235231  0.329458  -0.0722112  -0.0556431  -0.0207321  75  GLU   A O    
937  C CB   . GLU   A 63  ? 0.467855  0.389041  0.377471  -0.107668   -0.122547   -0.0993864  75  GLU   A CB   
938  C CG   . GLU   A 63  ? 0.560567  0.460731  0.454438  -0.0387073  -0.152333   -0.115616   75  GLU   A CG   
939  C CD   . GLU   A 63  ? 0.583631  0.572865  0.422037  -0.0484403  -0.176217   -0.103606   75  GLU   A CD   
940  O OE1  . GLU   A 63  ? 0.704495  0.681607  0.470964  -0.00077298 -0.169876   -0.201861   75  GLU   A OE1  
941  O OE2  . GLU   A 63  ? 0.63954   0.600219  0.634216  -0.0709235  -0.160169   0.00395876  75  GLU   A OE2  
942  H H    . GLU   A 63  ? 0.383177  0.287144  0.30501   -0.103051   0.00179161  -0.0376633  75  GLU   A H    
943  H HA   . GLU   A 63  ? 0.386695  0.300194  0.314182  -0.0907054  -0.0307168  -0.048779   75  GLU   A HA   
944  H HB2  . GLU   A 63  ? 0.455915  0.372951  0.376309  -0.082187   -0.0906738  -0.0825836  75  GLU   A HB2  
945  H HB3  . GLU   A 63  ? 0.458671  0.378176  0.378585  -0.0789661  -0.0905205  -0.0794858  75  GLU   A HB3  
946  H HG2  . GLU   A 63  ? 0.524497  0.464525  0.432299  -0.0490838  -0.123326   -0.0887451  75  GLU   A HG2  
947  H HG3  . GLU   A 63  ? 0.533048  0.464142  0.437374  -0.0467682  -0.130416   -0.0936431  75  GLU   A HG3  
948  N N    . PRO   A 64  ? 0.283373  0.233996  0.308438  -0.0844167  -0.0204215  -0.0122265  76  PRO   A N    
949  C CA   . PRO   A 64  ? 0.247134  0.226491  0.229763  -0.0632937  -0.0197287  -0.00968045 76  PRO   A CA   
950  C C    . PRO   A 64  ? 0.203084  0.192204  0.211599  -0.0301551  -0.0166323  -0.0210183  76  PRO   A C    
951  O O    . PRO   A 64  ? 0.215972  0.217285  0.222472  -0.0252771  -0.0345542  -0.0190759  76  PRO   A O    
952  C CB   . PRO   A 64  ? 0.298979  0.269134  0.263025  -0.0700437  -0.00813249 -0.00572099 76  PRO   A CB   
953  C CG   . PRO   A 64  ? 0.279198  0.299793  0.305787  -0.0902987  -0.0216751  -0.014418   76  PRO   A CG   
954  C CD   . PRO   A 64  ? 0.276036  0.273594  0.321543  -0.0711541  -0.0255683  -0.022079   76  PRO   A CD   
955  H HA   . PRO   A 64  ? 0.244489  0.226271  0.239575  -0.050895   -0.0156205  -0.00969923 76  PRO   A HA   
956  H HB2  . PRO   A 64  ? 0.279535  0.266304  0.265574  -0.0627089  -0.0106232  -0.0078745  76  PRO   A HB2  
957  H HB3  . PRO   A 64  ? 0.280269  0.266193  0.268038  -0.0616234  -0.00967686 -0.0060142  76  PRO   A HB3  
958  H HG2  . PRO   A 64  ? 0.285958  0.288568  0.299383  -0.0714956  -0.0163151  -0.0126326  76  PRO   A HG2  
959  H HG3  . PRO   A 64  ? 0.284369  0.288857  0.301774  -0.0709598  -0.0158218  -0.0139738  76  PRO   A HG3  
960  H HD2  . PRO   A 64  ? 0.282732  0.27563   0.312804  -0.0673784  -0.0212594  -0.0167632  76  PRO   A HD2  
961  H HD3  . PRO   A 64  ? 0.281932  0.277303  0.312305  -0.0667758  -0.0204837  -0.017247   76  PRO   A HD3  
962  N N    . PHE   A 65  ? 0.18057   0.179726  0.179883  -0.0203371  -0.0145254  -0.017385   77  PHE   A N    
963  C CA   . PHE   A 65  ? 0.175084  0.172773  0.153756  -0.0096723  -0.00306519 -0.0261729  77  PHE   A CA   
964  C C    . PHE   A 65  ? 0.151045  0.170759  0.139621  -0.00128468 0.0014986   -0.0229379  77  PHE   A C    
965  O O    . PHE   A 65  ? 0.142132  0.17057   0.143738  -0.0138685  0.0314994   -0.0261058  77  PHE   A O    
966  C CB   . PHE   A 65  ? 0.173685  0.169525  0.163791  -0.00855675 0.012845    -0.015761   77  PHE   A CB   
967  C CG   . PHE   A 65  ? 0.143962  0.190843  0.132733  -0.00522294 0.0294004   -0.00654975 77  PHE   A CG   
968  C CD1  . PHE   A 65  ? 0.20152   0.20826   0.153244  -0.0423767  0.0383205   -0.0307537  77  PHE   A CD1  
969  C CD2  . PHE   A 65  ? 0.16169   0.207842  0.141182  -0.0336281  0.0417546   -0.00301142 77  PHE   A CD2  
970  C CE1  . PHE   A 65  ? 0.225803  0.226823  0.158737  -0.0410311  0.0332759   0.0005719   77  PHE   A CE1  
971  C CE2  . PHE   A 65  ? 0.121805  0.20625   0.168792  -0.0366714  0.0318678   -0.0202955  77  PHE   A CE2  
972  C CZ   . PHE   A 65  ? 0.158114  0.213378  0.166923  -0.0306021  0.0186731   -0.00326813 77  PHE   A CZ   
973  H H    . PHE   A 65  ? 0.182712  0.181073  0.178626  -0.0170761  -0.0103445  -0.0167875  77  PHE   A H    
974  H HA   . PHE   A 65  ? 0.169808  0.172909  0.155956  -0.00846495 -0.0011807  -0.0194053  77  PHE   A HA   
975  H HB2  . PHE   A 65  ? 0.166924  0.173829  0.15675   -0.0067686  0.0124609   -0.0138143  77  PHE   A HB2  
976  H HB3  . PHE   A 65  ? 0.167227  0.174919  0.160475  -0.00707805 0.0129409   -0.0132351  77  PHE   A HB3  
977  H HD1  . PHE   A 65  ? 0.187954  0.200439  0.152762  -0.0293781  0.0299015   -0.017486   77  PHE   A HD1  
978  H HD2  . PHE   A 65  ? 0.150752  0.199805  0.146347  -0.0235964  0.0331642   -0.00707135 77  PHE   A HD2  
979  H HE1  . PHE   A 65  ? 0.200202  0.217509  0.165417  -0.0329901  0.0279286   -0.00667113 77  PHE   A HE1  
980  H HE2  . PHE   A 65  ? 0.141935  0.199714  0.16158   -0.0311321  0.0274584   -0.0123555  77  PHE   A HE2  
981  H HZ   . PHE   A 65  ? 0.163599  0.210822  0.167658  -0.0291443  0.0227722   -0.00628764 77  PHE   A HZ   
982  N N    . VAL   A 66  ? 0.155328  0.189418  0.13077   0.00836579  0.0140882   -0.0231496  78  VAL   A N    
983  C CA   . VAL   A 66  ? 0.146464  0.188212  0.135766  0.0109075   -0.00492595 -0.00839529 78  VAL   A CA   
984  C C    . VAL   A 66  ? 0.145761  0.179588  0.111217  0.0127891   0.0150598   -0.01455    78  VAL   A C    
985  O O    . VAL   A 66  ? 0.16491   0.18188   0.123769  0.032687    0.0223288   -0.0332934  78  VAL   A O    
986  C CB   . VAL   A 66  ? 0.138039  0.198009  0.147813  0.0103152   -0.00291494 -0.0129013  78  VAL   A CB   
987  C CG1  . VAL   A 66  ? 0.152841  0.220008  0.178287  0.0135781   -0.0152178  -0.0283938  78  VAL   A CG1  
988  C CG2  . VAL   A 66  ? 0.149891  0.199711  0.171795  0.0298089   -0.00498262 -0.0264538  78  VAL   A CG2  
989  H H    . VAL   A 66  ? 0.152857  0.181051  0.132857  0.00626162  0.00784587  -0.0183545  78  VAL   A H    
990  H HA   . VAL   A 66  ? 0.147995  0.184929  0.137883  0.00971372  0.00436655  -0.0106434  78  VAL   A HA   
991  H HB   . VAL   A 66  ? 0.146334  0.195571  0.152434  0.0131129   -0.00383699 -0.0148276  78  VAL   A HB   
992  H HG11 . VAL   A 66  ? 0.153165  0.210853  0.174087  0.0118937   -0.00874717 -0.0192109  78  VAL   A HG11 
993  H HG12 . VAL   A 66  ? 0.153998  0.212755  0.172307  0.0132415   -0.00955614 -0.0212682  78  VAL   A HG12 
994  H HG13 . VAL   A 66  ? 0.15357   0.210711  0.171549  0.0119173   -0.0086712  -0.019781   78  VAL   A HG13 
995  H HG21 . VAL   A 66  ? 0.15129   0.195856  0.166241  0.0213414   -0.00225292 -0.0190332  78  VAL   A HG21 
996  H HG22 . VAL   A 66  ? 0.149542  0.194097  0.165738  0.0219419   -0.00235489 -0.0194742  78  VAL   A HG22 
997  H HG23 . VAL   A 66  ? 0.149878  0.19586   0.168605  0.0211847   -0.0026153  -0.0187297  78  VAL   A HG23 
998  N N    . PHE   A 67  ? 0.146723  0.181545  0.111108  0.0227205   0.0488678   -0.0151484  79  PHE   A N    
999  C CA   . PHE   A 67  ? 0.158406  0.172651  0.15605   0.0271873   0.00626169  -0.00149991 79  PHE   A CA   
1000 C C    . PHE   A 67  ? 0.151574  0.182234  0.164755  0.03045     0.0116829   -0.00795866 79  PHE   A C    
1001 O O    . PHE   A 67  ? 0.205676  0.192616  0.167749  0.0369019   0.00086847  -0.00348924 79  PHE   A O    
1002 C CB   . PHE   A 67  ? 0.151402  0.166096  0.158413  0.0290829   0.0242829   0.0111944   79  PHE   A CB   
1003 C CG   . PHE   A 67  ? 0.150582  0.171099  0.165879  0.0188866   0.0247172   0.0159728   79  PHE   A CG   
1004 C CD1  . PHE   A 67  ? 0.179077  0.184834  0.180007  0.00712977  -0.00501612 0.0215796   79  PHE   A CD1  
1005 C CD2  . PHE   A 67  ? 0.153436  0.183877  0.168813  0.0252445   0.0224536   0.0184085   79  PHE   A CD2  
1006 C CE1  . PHE   A 67  ? 0.172648  0.185004  0.180136  0.0073917   -0.00295023 0.0297796   79  PHE   A CE1  
1007 C CE2  . PHE   A 67  ? 0.122435  0.179712  0.185745  0.0237489   0.0195481   0.019351    79  PHE   A CE2  
1008 C CZ   . PHE   A 67  ? 0.137513  0.173221  0.176126  0.0269115   -0.0125058  0.0254221   79  PHE   A CZ   
1009 H H    . PHE   A 67  ? 0.147068  0.175901  0.110761  0.0190805   0.0322118   -0.0110483  79  PHE   A H    
1010 H HA   . PHE   A 67  ? 0.154306  0.174334  0.149915  0.0237566   0.0176164   -0.00310336 79  PHE   A HA   
1011 H HB2  . PHE   A 67  ? 0.152551  0.167068  0.158334  0.0223203   0.0188025   0.00864199  79  PHE   A HB2  
1012 H HB3  . PHE   A 67  ? 0.152681  0.166805  0.158573  0.0229727   0.0185356   0.00755162  79  PHE   A HB3  
1013 H HD1  . PHE   A 67  ? 0.170418  0.182514  0.177215  0.00903686  0.00342216  0.0188564   79  PHE   A HD1  
1014 H HD2  . PHE   A 67  ? 0.147143  0.179667  0.172034  0.0202022   0.0197644   0.0150711   79  PHE   A HD2  
1015 H HE1  . PHE   A 67  ? 0.165299  0.182061  0.178626  0.0107487   -0.00374154 0.0230609   79  PHE   A HE1  
1016 H HE2  . PHE   A 67  ? 0.136122  0.177871  0.177534  0.0211884   0.0118413   0.0175101   79  PHE   A HE2  
1017 H HZ   . PHE   A 67  ? 0.142507  0.176405  0.172487  0.0187287   -0.0029445  0.0206938   79  PHE   A HZ   
1018 N N    . SER   A 68  ? 0.168205  0.185552  0.176784  0.0379561   0.0144701   0.0013915   80  SER   A N    
1019 C CA   . SER   A 68  ? 0.13333   0.179129  0.171753  0.0268255   0.0265732   -0.00250282 80  SER   A CA   
1020 C C    . SER   A 68  ? 0.146784  0.181874  0.169702  0.0132357   0.034472    -0.0129165  80  SER   A C    
1021 O O    . SER   A 68  ? 0.132173  0.177129  0.179032  0.0250067   0.0313411   -0.0077817  80  SER   A O    
1022 C CB   . SER   A 68  ? 0.170107  0.225216  0.184198  0.0186268   0.0183012   0.00419501  80  SER   A CB   
1023 O OG   . SER   A 68  ? 0.166199  0.254053  0.224057  0.0235804   0.0414323   0.024309    80  SER   A OG   
1024 H H    . SER   A 68  ? 0.158889  0.183304  0.176078  0.0291503   0.0133768   -0.00135605 80  SER   A H    
1025 H HA   . SER   A 68  ? 0.145556  0.184953  0.169338  0.0214824   0.0254899   -0.00189999 80  SER   A HA   
1026 H HB2  . SER   A 68  ? 0.164981  0.214899  0.191096  0.01945     0.020535    0.00593387  80  SER   A HB2  
1027 H HB3  . SER   A 68  ? 0.163507  0.21712   0.189874  0.0194266   0.0226897   0.00637873  80  SER   A HB3  
1028 H HG   . SER   A 68  ? 0.216954  0.216954  0.216954  0           0           0           80  SER   A HG   
1029 N N    . LEU   A 69  ? 0.145592  0.174841  0.16327   0.0222196   0.0387128   -0.0073504  81  LEU   A N    
1030 C CA   . LEU   A 69  ? 0.133578  0.178158  0.162337  0.0154803   0.0532378   -0.0131279  81  LEU   A CA   
1031 C C    . LEU   A 69  ? 0.140895  0.185408  0.192118  0.017255    0.0613427   -0.0205503  81  LEU   A C    
1032 O O    . LEU   A 69  ? 0.213513  0.179457  0.184694  0.00744984  0.041262    0.00899072  81  LEU   A O    
1033 C CB   . LEU   A 69  ? 0.167755  0.208427  0.161418  0.0181075   0.0456917   0.00039286  81  LEU   A CB   
1034 C CG   . LEU   A 69  ? 0.173506  0.278084  0.199101  0.03616     0.0510304   0.00321409  81  LEU   A CG   
1035 C CD1  . LEU   A 69  ? 0.127113  0.283192  0.176128  0.0483245   0.0768866   -0.0045906  81  LEU   A CD1  
1036 C CD2  . LEU   A 69  ? 0.207938  0.330142  0.199152  0.0554246   0.0562858   0.00753146  81  LEU   A CD2  
1037 H H    . LEU   A 69  ? 0.146311  0.1765    0.164358  0.0165142   0.0358554   -0.0087314  81  LEU   A H    
1038 H HA   . LEU   A 69  ? 0.142167  0.180416  0.167131  0.0173217   0.0452769   -0.00978594 81  LEU   A HA   
1039 H HB2  . LEU   A 69  ? 0.16048   0.206704  0.169147  0.0176745   0.0431138   -0.00228664 81  LEU   A HB2  
1040 H HB3  . LEU   A 69  ? 0.161615  0.208762  0.169343  0.0169067   0.0430986   -0.00234476 81  LEU   A HB3  
1041 H HG   . LEU   A 69  ? 0.174964  0.264592  0.190561  0.0347555   0.0492321   0.00117791  81  LEU   A HG   
1042 H HD11 . LEU   A 69  ? 0.144336  0.269876  0.1746    0.0409875   0.0672888   -0.0038423  81  LEU   A HD11 
1043 H HD12 . LEU   A 69  ? 0.145504  0.271625  0.181928  0.0400098   0.0622449   -0.00183431 81  LEU   A HD12 
1044 H HD13 . LEU   A 69  ? 0.14596   0.270794  0.182902  0.0394484   0.0637512   -0.00130792 81  LEU   A HD13 
1045 H HD21 . LEU   A 69  ? 0.204922  0.30833   0.207137  0.0414151   0.049103    0.00519339  81  LEU   A HD21 
1046 H HD22 . LEU   A 69  ? 0.205947  0.308187  0.207328  0.0460378   0.0478751   0.00433211  81  LEU   A HD22 
1047 H HD23 . LEU   A 69  ? 0.205255  0.305472  0.208179  0.0435988   0.0499298   0.00596774  81  LEU   A HD23 
1048 N N    . GLY   A 70  ? 0.131694  0.192067  0.263898  0.0206801   0.0602555   -0.0280963  82  GLY   A N    
1049 C CA   . GLY   A 70  ? 0.180047  0.220012  0.327977  0.0119965   0.045257    -0.00138919 82  GLY   A CA   
1050 C C    . GLY   A 70  ? 0.234607  0.221455  0.32674   -0.0298228  0.00534157  -0.00978526 82  GLY   A C    
1051 O O    . GLY   A 70  ? 0.294318  0.317751  0.427087  -0.0815234  -0.0320124  0.0172143   82  GLY   A O    
1052 H H    . GLY   A 70  ? 0.149219  0.194841  0.244198  0.0180191   0.0517508   -0.0166872  82  GLY   A H    
1053 H HA2  . GLY   A 70  ? 0.18762   0.219757  0.29998   0.00679597  0.0388948   -0.00693411 82  GLY   A HA2  
1054 H HA3  . GLY   A 70  ? 0.187573  0.221558  0.300485  0.00555288  0.0376067   -0.00557206 82  GLY   A HA3  
1055 N N    . LYS   A 71  ? 0.288528  0.19775   0.321796  -0.038049   4.729e-05   0.00884818  83  LYS   A N    
1056 C CA   . LYS   A 71  ? 0.233036  0.247712  0.31037   -0.0183132  -0.00367856 0.0452374   83  LYS   A CA   
1057 C C    . LYS   A 71  ? 0.273047  0.247192  0.268847  -0.022958   0.0237995   0.0560522   83  LYS   A C    
1058 O O    . LYS   A 71  ? 0.30356   0.276954  0.249591  0.0008292   0.0474194   0.0166423   83  LYS   A O    
1059 C CB   . LYS   A 71  ? 0.277938  0.30333   0.348501  -0.015302   -0.0324429  0.0140484   83  LYS   A CB   
1060 C CG   . LYS   A 71  ? 0.311618  0.40898   0.424223  0.0367333   -0.0632572  -0.0219719  83  LYS   A CG   
1061 C CD   . LYS   A 71  ? 0.345891  0.425718  0.476938  0.0629864   0.00315838  -0.0114857  83  LYS   A CD   
1062 C CE   . LYS   A 71  ? 0.313557  0.440433  0.52632   0.107623    -0.0341144  0.00882317  83  LYS   A CE   
1063 H H    . LYS   A 71  ? 0.260691  0.219886  0.312251  -0.0274113  0.0036227   0.0136561   83  LYS   A H    
1064 H HA   . LYS   A 71  ? 0.259664  0.249657  0.306724  -0.0183841  -0.00168519 0.0304198   83  LYS   A HA   
1065 H HB2  . LYS   A 71  ? 0.276193  0.306279  0.345257  -0.00438851 -0.0249616  0.0137062   83  LYS   A HB2  
1066 H HB3  . LYS   A 71  ? 0.275984  0.306426  0.344557  -0.00427017 -0.0251623  0.013588    83  LYS   A HB3  
1067 H HG2  . LYS   A 71  ? 0.31664   0.382132  0.415108  0.0263198   -0.0356486  -0.00743145 83  LYS   A HG2  
1068 H HG3  . LYS   A 71  ? 0.316269  0.385266  0.407771  0.0277831   -0.0332542  -0.00464658 83  LYS   A HG3  
1069 H HD2  . LYS   A 71  ? 0.338062  0.421591  0.461359  0.0590163   -0.015965   -0.00727373 83  LYS   A HD2  
1070 H HD3  . LYS   A 71  ? 0.342078  0.426974  0.468748  0.0612236   -0.0141564  -0.00483738 83  LYS   A HD3  
1071 H HE2  . LYS   A 71  ? 0.423776  0.423776  0.423776  0           0           0           83  LYS   A HE2  
1072 H HE3  . LYS   A 71  ? 0.423776  0.423776  0.423776  0           0           0           83  LYS   A HE3  
1073 N N    . GLY   A 72  ? 0.206719  0.277504  0.293385  -0.0160369  0.0695491   0.0613143   84  GLY   A N    
1074 C CA   . GLY   A 72  ? 0.253021  0.241363  0.318553  -0.00127955 0.060946    0.0516809   84  GLY   A CA   
1075 C C    . GLY   A 72  ? 0.210313  0.276265  0.314238  0.0126452   0.0409514   0.0506107   84  GLY   A C    
1076 O O    . GLY   A 72  ? 0.210065  0.271793  0.325211  -0.00313473 0.0317435   0.0293479   84  GLY   A O    
1077 H H    . GLY   A 72  ? 0.236256  0.261883  0.284697  -0.0125563  0.0506817   0.0516785   84  GLY   A H    
1078 H HA2  . GLY   A 72  ? 0.239117  0.261292  0.308549  -0.00100833 0.0544788   0.0473609   84  GLY   A HA2  
1079 H HA3  . GLY   A 72  ? 0.237465  0.260532  0.305147  -0.00153204 0.0524838   0.0476037   84  GLY   A HA3  
1080 N N    . GLN   A 73  ? 0.1642    0.242888  0.276321  0.0203988   0.0179228   0.0656862   85  GLN   A N    
1081 C CA   . GLN   A 73  ? 0.179294  0.297899  0.2898    0.00355599  0.0308441   0.0492513   85  GLN   A CA   
1082 C C    . GLN   A 73  ? 0.162513  0.269691  0.237215  -0.00176955 0.0191138   0.042319    85  GLN   A C    
1083 O O    . GLN   A 73  ? 0.247038  0.295552  0.229774  -0.0103784  -0.00498033 0.0856885   85  GLN   A O    
1084 C CB   . GLN   A 73  ? 0.183098  0.355568  0.356213  0.00973009  -0.00399249 0.050461    85  GLN   A CB   
1085 C CG   . GLN   A 73  ? 0.286013  0.477085  0.396085  0.0520482   0.0149969   0.013801    85  GLN   A CG   
1086 C CD   . GLN   A 73  ? 0.390296  0.419187  0.446396  0.118833    -0.061221   -0.0492524  85  GLN   A CD   
1087 O OE1  . GLN   A 73  ? 0.537369  0.526591  0.326031  0.155754    0.0780387   -0.0129862  85  GLN   A OE1  
1088 N NE2  . GLN   A 73  ? 0.314739  0.430579  0.623212  0.139795    -0.142989   0.0520483   85  GLN   A NE2  
1089 H H    . GLN   A 73  ? 0.181905  0.259136  0.279562  0.0141047   0.0261072   0.0511485   85  GLN   A H    
1090 H HA   . GLN   A 73  ? 0.184391  0.28537   0.281677  0.00651742  0.0195552   0.0456686   85  GLN   A HA   
1091 H HB2  . GLN   A 73  ? 0.211065  0.351352  0.336399  0.0160857   0.00646985  0.040493    85  GLN   A HB2  
1092 H HB3  . GLN   A 73  ? 0.212239  0.351203  0.343687  0.013501    0.00585863  0.0420856   85  GLN   A HB3  
1093 H HG2  . GLN   A 73  ? 0.28942   0.423862  0.392684  0.0462066   -0.00171423 0.00919431  85  GLN   A HG2  
1094 H HG3  . GLN   A 73  ? 0.296311  0.422448  0.394659  0.0413953   0.00355592  0.00734509  85  GLN   A HG3  
1095 H HE21 . GLN   A 73  ? 0.357189  0.437403  0.571968  0.114562    -0.103499   0.0262261   85  GLN   A HE21 
1096 H HE22 . GLN   A 73  ? 0.350737  0.434948  0.548307  0.111719    -0.0927021  0.0178194   85  GLN   A HE22 
1097 N N    . VAL   A 74  ? 0.161631  0.268747  0.242008  0.0113989   0.0229018   0.0622733   86  VAL   A N    
1098 C CA   . VAL   A 74  ? 0.145757  0.210672  0.176254  -0.00141982 0.0220398   0.0657173   86  VAL   A CA   
1099 C C    . VAL   A 74  ? 0.15788   0.214145  0.170029  0.00483315  0.0178725   0.057332    86  VAL   A C    
1100 O O    . VAL   A 74  ? 0.186378  0.220804  0.208689  0.0244716   0.0312689   0.038805    86  VAL   A O    
1101 C CB   . VAL   A 74  ? 0.155053  0.229779  0.197283  -0.0196053  0.00923358  0.067433    86  VAL   A CB   
1102 C CG1  . VAL   A 74  ? 0.197915  0.241709  0.214763  -0.0326105  -0.00283163 0.0495282   86  VAL   A CG1  
1103 C CG2  . VAL   A 74  ? 0.12283   0.220773  0.178455  -0.0189627  0.0250226   0.0744133   86  VAL   A CG2  
1104 H H    . VAL   A 74  ? 0.167115  0.252693  0.223623  0.00306196  0.0195508   0.0535674   86  VAL   A H    
1105 H HA   . VAL   A 74  ? 0.154862  0.215396  0.184875  0.00032223  0.019262    0.0532785   86  VAL   A HA   
1106 H HB   . VAL   A 74  ? 0.158898  0.223039  0.192607  -0.0153356  0.0126028   0.0573686   86  VAL   A HB   
1107 H HG11 . VAL   A 74  ? 0.191504  0.23844   0.213755  -0.0258903  0.00331479  0.0460118   86  VAL   A HG11 
1108 H HG12 . VAL   A 74  ? 0.189662  0.237439  0.212314  -0.0250551  0.00146368  0.0476726   86  VAL   A HG12 
1109 H HG13 . VAL   A 74  ? 0.190453  0.237601  0.214906  -0.0240314  1.962e-05   0.0459387   86  VAL   A HG13 
1110 H HG21 . VAL   A 74  ? 0.134993  0.215688  0.177183  -0.018026   0.0226874   0.0666892   86  VAL   A HG21 
1111 H HG22 . VAL   A 74  ? 0.135796  0.216497  0.181051  -0.0171301  0.0194307   0.0638368   86  VAL   A HG22 
1112 H HG23 . VAL   A 74  ? 0.137233  0.216766  0.181404  -0.0154193  0.0191958   0.0647634   86  VAL   A HG23 
1113 N N    . ILE   A 75  ? 0.138378  0.219474  0.183011  -0.0066766  0.0272747   0.0561751   87  ILE   A N    
1114 C CA   . ILE   A 75  ? 0.14287   0.213711  0.156792  -0.0221509  0.0423678   0.0479      87  ILE   A CA   
1115 C C    . ILE   A 75  ? 0.0888764 0.186447  0.165205  -0.0302976  0.0745417   0.0564656   87  ILE   A C    
1116 O O    . ILE   A 75  ? 0.111647  0.21676   0.150439  -0.0651124  0.0849659   0.0487471   87  ILE   A O    
1117 C CB   . ILE   A 75  ? 0.166427  0.227117  0.169023  -0.00929247 0.0121052   0.0301714   87  ILE   A CB   
1118 C CG1  . ILE   A 75  ? 0.150666  0.220586  0.188511  -0.00883022 0.00589961  0.0291857   87  ILE   A CG1  
1119 C CG2  . ILE   A 75  ? 0.186708  0.243895  0.200965  -0.00656159 0.020311    0.0195667   87  ILE   A CG2  
1120 C CD1  . ILE   A 75  ? 0.149515  0.241474  0.208296  -0.00643564 0.00624485  0.0306979   87  ILE   A CD1  
1121 H H    . ILE   A 75  ? 0.148629  0.214362  0.174776  -0.00640223 0.026063    0.0475333   87  ILE   A H    
1122 H HA   . ILE   A 75  ? 0.137395  0.205788  0.163736  -0.017621   0.0393923   0.044146    87  ILE   A HA   
1123 H HB   . ILE   A 75  ? 0.163524  0.221662  0.176724  -0.0104277  0.0172275   0.0278776   87  ILE   A HB   
1124 H HG12 . ILE   A 75  ? 0.156451  0.220914  0.186808  -0.00803005 0.00766015  0.0254684   87  ILE   A HG12 
1125 H HG13 . ILE   A 75  ? 0.156988  0.221404  0.187375  -0.00743506 0.00887323  0.0262216   87  ILE   A HG13 
1126 H HG21 . ILE   A 75  ? 0.185927  0.238301  0.194222  -0.00726824 0.01712     0.0192782   87  ILE   A HG21 
1127 H HG22 . ILE   A 75  ? 0.185956  0.237666  0.194484  -0.00498641 0.0175172   0.0204877   87  ILE   A HG22 
1128 H HG23 . ILE   A 75  ? 0.185309  0.238665  0.195008  -0.00484104 0.0156721   0.0183675   87  ILE   A HG23 
1129 H HD11 . ILE   A 75  ? 0.157919  0.231707  0.202471  -0.00493    0.00667246  0.0269174   87  ILE   A HD11 
1130 H HD12 . ILE   A 75  ? 0.157952  0.232233  0.203081  -0.00465072 0.00591611  0.0259595   87  ILE   A HD12 
1131 H HD13 . ILE   A 75  ? 0.158145  0.232017  0.203035  -0.00557651 0.00605106  0.0272332   87  ILE   A HD13 
1132 N N    . LYS   A 76  ? 0.0813156 0.21835   0.203129  -0.0403953  0.0679283   0.033679    88  LYS   A N    
1133 C CA   . LYS   A 76  ? 0.0887475 0.199542  0.203861  -0.063606   0.0689931   0.037085    88  LYS   A CA   
1134 C C    . LYS   A 76  ? 0.13093   0.189963  0.206197  -0.0337945  0.04103     0.0266365   88  LYS   A C    
1135 O O    . LYS   A 76  ? 0.131147  0.193394  0.227372  -0.0184288  0.0319044   0.00745424  88  LYS   A O    
1136 C CB   . LYS   A 76  ? 0.136366  0.224585  0.266694  -0.104639   0.0935265   0.0316087   88  LYS   A CB   
1137 H H    . LYS   A 76  ? 0.0942432 0.203229  0.189331  -0.035954   0.0657103   0.03706     88  LYS   A H    
1138 H HA   . LYS   A 76  ? 0.108707  0.201083  0.207846  -0.0481463  0.060528    0.0313585   88  LYS   A HA   
1139 H HB2  . LYS   A 76  ? 0.213914  0.213914  0.213914  0           0           0           88  LYS   A HB2  
1140 H HB3  . LYS   A 76  ? 0.213914  0.213914  0.213914  0           0           0           88  LYS   A HB3  
1141 N N    . ALA   A 77  ? 0.153641  0.209142  0.180478  -0.0176952  0.017244    0.0290474   89  ALA   A N    
1142 C CA   . ALA   A 77  ? 0.10592   0.204461  0.176267  -0.0153437  0.0521551   0.0306349   89  ALA   A CA   
1143 C C    . ALA   A 77  ? 0.111604  0.194914  0.168535  -0.0265466  0.0434374   0.0257326   89  ALA   A C    
1144 O O    . ALA   A 77  ? 0.132397  0.204355  0.145171  -0.0212719  0.0318434   0.0142035   89  ALA   A O    
1145 C CB   . ALA   A 77  ? 0.0755541 0.228068  0.190004  -0.00360556 0.0605488   0.0315056   89  ALA   A CB   
1146 H H    . ALA   A 77  ? 0.146599  0.203139  0.1893    -0.0203215  0.0251504   0.0279165   89  ALA   A H    
1147 H HA   . ALA   A 77  ? 0.118262  0.202121  0.175107  -0.0131054  0.0416591   0.0259639   89  ALA   A HA   
1148 H HB1  . ALA   A 77  ? 0.0901274 0.214294  0.184731  -0.00784644 0.0541129   0.0292622   89  ALA   A HB1  
1149 H HB2  . ALA   A 77  ? 0.0969409 0.214813  0.184036  -0.00506615 0.0530355   0.0282684   89  ALA   A HB2  
1150 H HB3  . ALA   A 77  ? 0.0968762 0.215658  0.18589   -0.00491763 0.0529374   0.0281052   89  ALA   A HB3  
1151 N N    . TRP   A 78  ? 0.0721245 0.182044  0.179118  -0.021571   0.0574013   0.0291597   90  TRP   A N    
1152 C CA   . TRP   A 78  ? 0.0830481 0.182464  0.122538  -0.0224976  0.0859098   0.033034    90  TRP   A CA   
1153 C C    . TRP   A 78  ? 0.0899693 0.18476   0.131933  -0.0159139  0.0677632   0.0313431   90  TRP   A C    
1154 O O    . TRP   A 78  ? 0.118999  0.18483   0.137346  -0.0460822  0.0813524   0.0542451   90  TRP   A O    
1155 C CB   . TRP   A 78  ? 0.0954282 0.176531  0.122592  -0.0110787  0.0756067   0.0359102   90  TRP   A CB   
1156 C CG   . TRP   A 78  ? 0.0923117 0.17717   0.113367  -0.0113637  0.0625484   0.0198456   90  TRP   A CG   
1157 C CD1  . TRP   A 78  ? 0.0981304 0.180517  0.0989593 -0.00937761 0.0462056   0.0144966   90  TRP   A CD1  
1158 C CD2  . TRP   A 78  ? 0.0933516 0.155759  0.104012  -0.0184924  0.0485764   0.0314852   90  TRP   A CD2  
1159 N NE1  . TRP   A 78  ? 0.0916161 0.184839  0.105676  -0.0034356  0.0545327   0.0133542   90  TRP   A NE1  
1160 C CE2  . TRP   A 78  ? 0.0975415 0.172605  0.128007  -0.0117142  0.0425238   0.0157403   90  TRP   A CE2  
1161 C CE3  . TRP   A 78  ? 0.10581   0.155598  0.126614  -0.0164162  0.0347323   0.0392963   90  TRP   A CE3  
1162 C CZ2  . TRP   A 78  ? 0.10321   0.170261  0.148916  -0.00633254 0.0276643   0.0363755   90  TRP   A CZ2  
1163 C CZ3  . TRP   A 78  ? 0.0800596 0.180882  0.15087   -0.0167265  0.0307732   0.0248726   90  TRP   A CZ3  
1164 C CH2  . TRP   A 78  ? 0.0940255 0.163897  0.153674  -0.0235607  0.0398016   0.0292075   90  TRP   A CH2  
1165 H H    . TRP   A 78  ? 0.0921436 0.182134  0.166962  -0.0198534  0.0533155   0.0277945   90  TRP   A H    
1166 H HA   . TRP   A 78  ? 0.0858601 0.17329   0.125704  -0.0173775  0.0714729   0.0340178   90  TRP   A HA   
1167 H HB2  . TRP   A 78  ? 0.0945598 0.173424  0.118828  -0.0127317  0.069227    0.0294475   90  TRP   A HB2  
1168 H HB3  . TRP   A 78  ? 0.0965907 0.173473  0.120281  -0.0124181  0.068635    0.0287515   90  TRP   A HB3  
1169 H HD1  . TRP   A 78  ? 0.0983032 0.174874  0.10745   -0.00726758 0.0468222   0.0143817   90  TRP   A HD1  
1170 H HE1  . TRP   A 78  ? 0.098613  0.175968  0.112728  -0.00446383 0.0452467   0.012707    90  TRP   A HE1  
1171 H HE3  . TRP   A 78  ? 0.100201  0.156648  0.126498  -0.0133902  0.0338046   0.0302526   90  TRP   A HE3  
1172 H HZ2  . TRP   A 78  ? 0.103828  0.165139  0.143651  -0.0086206  0.0312413   0.0266828   90  TRP   A HZ2  
1173 H HZ3  . TRP   A 78  ? 0.0897779 0.168094  0.143571  -0.0148048  0.0293032   0.026283    90  TRP   A HZ3  
1174 H HH2  . TRP   A 78  ? 0.0975302 0.163058  0.1493    -0.01688    0.0319498   0.0260725   90  TRP   A HH2  
1175 N N    . ASP   A 79  ? 0.102695  0.215087  0.167473  -0.00789594 0.0666991   0.0206435   91  ASP   A N    
1176 C CA   . ASP   A 79  ? 0.0845806 0.230316  0.198927  -0.0135948  0.0537202   0.0204998   91  ASP   A CA   
1177 C C    . ASP   A 79  ? 0.0571219 0.212853  0.207819  -0.00907912 0.0835083   0.00483094  91  ASP   A C    
1178 O O    . ASP   A 79  ? 0.0722114 0.256389  0.212703  -0.0229613  0.0981834   -0.029996   91  ASP   A O    
1179 C CB   . ASP   A 79  ? 0.127115  0.251463  0.203054  0.00786566  0.0436438   0.0395719   91  ASP   A CB   
1180 C CG   . ASP   A 79  ? 0.171703  0.273761  0.198994  -0.0219401  0.0523647   0.0308745   91  ASP   A CG   
1181 O OD1  . ASP   A 79  ? 0.194067  0.24068   0.264955  0.0128444   0.00320718  0.00689307  91  ASP   A OD1  
1182 O OD2  . ASP   A 79  ? 0.112142  0.323432  0.217109  0.0250883   0.130865    0.0442698   91  ASP   A OD2  
1183 H H    . ASP   A 79  ? 0.103663  0.205535  0.162774  -0.0089763  0.059088    0.0219324   91  ASP   A H    
1184 H HA   . ASP   A 79  ? 0.0931495 0.221512  0.19275   -0.0078728  0.055051    0.0194492   91  ASP   A HA   
1185 H HB2  . ASP   A 79  ? 0.134483  0.244557  0.200418  -0.00236601 0.0445946   0.0297243   91  ASP   A HB2  
1186 H HB3  . ASP   A 79  ? 0.133379  0.244322  0.200672  -0.00227389 0.0447769   0.0295402   91  ASP   A HB3  
1187 N N    . ILE   A 80  ? 0.127248  0.187321  0.208871  -0.0329092  0.0199979   0.022813    92  ILE   A N    
1188 C CA   . ILE   A 80  ? 0.122594  0.180976  0.220711  -0.0199801  0.0258926   0.00682439  92  ILE   A CA   
1189 C C    . ILE   A 80  ? 0.10181   0.182955  0.208167  -0.0112226  0.0225467   -0.00383426 92  ILE   A C    
1190 O O    . ILE   A 80  ? 0.162959  0.199093  0.210153  -0.015878   0.0424593   -0.0344624  92  ILE   A O    
1191 C CB   . ILE   A 80  ? 0.13041   0.212818  0.229019  -0.0393003  0.0222267   0.00650152  92  ILE   A CB   
1192 C CG1  . ILE   A 80  ? 0.134371  0.241204  0.241484  -0.0461871  0.0406148   0.0169279   92  ILE   A CG1  
1193 C CG2  . ILE   A 80  ? 0.160099  0.214267  0.246026  -0.0347783  0.0278057   -0.0021194  92  ILE   A CG2  
1194 C CD1  . ILE   A 80  ? 0.128498  0.270335  0.269242  -0.0379558  0.0411528   0.0129971   92  ILE   A CD1  
1195 H H    . ILE   A 80  ? 0.127963  0.193846  0.213433  -0.0237291  0.0269793   0.0168159   92  ILE   A H    
1196 H HA   . ILE   A 80  ? 0.127319  0.184481  0.212363  -0.0184694  0.0223264   0.00700271  92  ILE   A HA   
1197 H HB   . ILE   A 80  ? 0.142159  0.210798  0.227664  -0.0306557  0.0249786   0.00734813  92  ILE   A HB   
1198 H HG12 . ILE   A 80  ? 0.142549  0.236903  0.239764  -0.0359964  0.0329563   0.0131906   92  ILE   A HG12 
1199 H HG13 . ILE   A 80  ? 0.142359  0.235871  0.239086  -0.0357187  0.0327773   0.0130751   92  ILE   A HG13 
1200 H HG21 . ILE   A 80  ? 0.16251   0.214995  0.236829  -0.0301937  0.024302    0.00123983  92  ILE   A HG21 
1201 H HG22 . ILE   A 80  ? 0.159106  0.214428  0.236596  -0.0303092  0.0239939   0.00104641  92  ILE   A HG22 
1202 H HG23 . ILE   A 80  ? 0.158941  0.215571  0.236644  -0.0298488  0.0235565   0.00035758  92  ILE   A HG23 
1203 H HD11 . ILE   A 80  ? 0.144003  0.259799  0.257681  -0.0335246  0.0372823   0.0140907   92  ILE   A HD11 
1204 H HD12 . ILE   A 80  ? 0.144215  0.261599  0.25869   -0.0325128  0.0368038   0.0119399   92  ILE   A HD12 
1205 H HD13 . ILE   A 80  ? 0.144264  0.258915  0.257584  -0.0333352  0.0374608   0.0136297   92  ILE   A HD13 
1206 N N    . GLY   A 81  ? 0.122086  0.163919  0.216073  -0.0268091  0.0126947   0.00647091  93  GLY   A N    
1207 C CA   . GLY   A 81  ? 0.127272  0.141527  0.189263  -0.0124628  0.0318291   0.00228543  93  GLY   A CA   
1208 C C    . GLY   A 81  ? 0.125649  0.147404  0.178231  -0.0098591  0.0255175   -0.00154554 93  GLY   A C    
1209 O O    . GLY   A 81  ? 0.154921  0.154593  0.145142  -0.00955856 0.0265933   -0.0148262  93  GLY   A O    
1210 H H    . GLY   A 81  ? 0.126423  0.166066  0.208456  -0.0171092  0.0166225   0.00519087  93  GLY   A H    
1211 H HA2  . GLY   A 81  ? 0.128995  0.150419  0.187069  -0.0124755  0.0240448   0.00206335  93  GLY   A HA2  
1212 H HA3  . GLY   A 81  ? 0.128237  0.147297  0.187255  -0.0109608  0.0247486   0.00162473  93  GLY   A HA3  
1213 N N    . VAL   A 82  ? 0.0935386 0.149783  0.168944  -0.017199   0.0265681   -0.00375669 94  VAL   A N    
1214 C CA   . VAL   A 82  ? 0.101493  0.16317   0.169615  -0.037556   0.0472941   0.00908281  94  VAL   A CA   
1215 C C    . VAL   A 82  ? 0.096146  0.177654  0.167774  -0.0249167  0.0553945   0.0178827   94  VAL   A C    
1216 O O    . VAL   A 82  ? 0.0845116 0.182539  0.182287  -0.015196   0.0644051   0.0194719   94  VAL   A O    
1217 C CB   . VAL   A 82  ? 0.0872743 0.214035  0.160231  -0.0636508  0.069845    0.0323018   94  VAL   A CB   
1218 C CG1  . VAL   A 82  ? 0.0905838 0.249829  0.159088  -0.0658109  0.0655456   0.0199401   94  VAL   A CG1  
1219 C CG2  . VAL   A 82  ? 0.11912   0.225069  0.177037  -0.0569123  0.0452119   0.0174201   94  VAL   A CG2  
1220 H H    . VAL   A 82  ? 0.106681  0.152911  0.167431  -0.017647   0.028381    0.00064782  94  VAL   A H    
1221 H HA   . VAL   A 82  ? 0.10341   0.168987  0.164865  -0.0303858  0.043895    0.0115024   94  VAL   A HA   
1222 H HB   . VAL   A 82  ? 0.103922  0.200977  0.160476  -0.0503626  0.0566099   0.025726    94  VAL   A HB   
1223 H HG11 . VAL   A 82  ? 0.101188  0.233877  0.164364  -0.0540361  0.0606493   0.0205195   94  VAL   A HG11 
1224 H HG12 . VAL   A 82  ? 0.101221  0.232436  0.162736  -0.0544998  0.0610226   0.0223303   94  VAL   A HG12 
1225 H HG13 . VAL   A 82  ? 0.100916  0.231862  0.160281  -0.0548586  0.0602408   0.0214189   94  VAL   A HG13 
1226 H HG21 . VAL   A 82  ? 0.118842  0.217414  0.171661  -0.0500394  0.0478257   0.0190583   94  VAL   A HG21 
1227 H HG22 . VAL   A 82  ? 0.121693  0.216866  0.172975  -0.0490182  0.0479275   0.0192688   94  VAL   A HG22 
1228 H HG23 . VAL   A 82  ? 0.119004  0.219569  0.175253  -0.0491648  0.0478112   0.01723     94  VAL   A HG23 
1229 N N    . ALA   A 83  ? 0.114685  0.143036  0.174075  -0.002205   0.0476663   0.0175887   95  ALA   A N    
1230 C CA   . ALA   A 83  ? 0.155215  0.178917  0.181544  0.00824989  0.0559327   0.0111642   95  ALA   A CA   
1231 C C    . ALA   A 83  ? 0.162547  0.201627  0.166726  0.0301954   0.075664    -0.00116346 95  ALA   A C    
1232 O O    . ALA   A 83  ? 0.141646  0.239652  0.205594  0.0389617   0.118588    0.0180108   95  ALA   A O    
1233 C CB   . ALA   A 83  ? 0.188598  0.180031  0.214854  0.00611951  0.0440506   0.0143835   95  ALA   A CB   
1234 H H    . ALA   A 83  ? 0.119512  0.157623  0.169653  -0.00492482 0.0458029   0.0144105   95  ALA   A H    
1235 H HA   . ALA   A 83  ? 0.154338  0.174346  0.180781  0.00815341  0.050266    0.00955308  95  ALA   A HA   
1236 H HB1  . ALA   A 83  ? 0.179644  0.184359  0.207277  0.00578816  0.0435786   0.0114687   95  ALA   A HB1  
1237 H HB2  . ALA   A 83  ? 0.182871  0.183599  0.20402   0.00576922  0.04399     0.0119256   95  ALA   A HB2  
1238 H HB3  . ALA   A 83  ? 0.180632  0.185213  0.204211  0.00477074  0.0426683   0.0127452   95  ALA   A HB3  
1239 N N    . THR   A 84  ? 0.165649  0.182745  0.132771  -0.00788747 0.0728893   0.0042463   96  THR   A N    
1240 C CA   . THR   A 84  ? 0.191328  0.173746  0.140126  -0.016852   0.045601    0.0110252   96  THR   A CA   
1241 C C    . THR   A 84  ? 0.14882   0.182346  0.132411  -0.014178   0.0641218   -0.00112879 96  THR   A C    
1242 O O    . THR   A 84  ? 0.199211  0.205988  0.148786  -0.0287342  0.0405699   0.00087177  96  THR   A O    
1243 C CB   . THR   A 84  ? 0.211983  0.207787  0.173932  -0.0263705  0.0247883   0.00455479  96  THR   A CB   
1244 O OG1  . THR   A 84  ? 0.241357  0.185826  0.164282  -0.0261487  0.0225953   0.0115411   96  THR   A OG1  
1245 C CG2  . THR   A 84  ? 0.209402  0.218594  0.190749  -0.0343011  0.0252395   -0.00439657 96  THR   A CG2  
1246 H H    . THR   A 84  ? 0.165548  0.181292  0.143504  0.00036436  0.060974    0.00276315  96  THR   A H    
1247 H HA   . THR   A 84  ? 0.178027  0.181762  0.145911  -0.0130536  0.0466482   0.00541757  96  THR   A HA   
1248 H HB   . THR   A 84  ? 0.210235  0.199701  0.174578  -0.0224017  0.0262086   0.00552747  96  THR   A HB   
1249 H HG1  . THR   A 84  ? 0.199349  0.199349  0.199349  0           0           0           96  THR   A HG1  
1250 H HG21 . THR   A 84  ? 0.209199  0.215321  0.188857  -0.0278433  0.0229129   -0.00110391 96  THR   A HG21 
1251 H HG22 . THR   A 84  ? 0.208208  0.214901  0.190447  -0.0274129  0.0233434   -0.00107107 96  THR   A HG22 
1252 H HG23 . THR   A 84  ? 0.208992  0.216203  0.188889  -0.0280809  0.0227222   -0.00078748 96  THR   A HG23 
1253 N N    . MET   A 85  ? 0.152019  0.159944  0.126071  -0.0207969  0.062658    0.0162052   97  MET   A N    
1254 C CA   . MET   A 85  ? 0.157108  0.148079  0.144151  -0.0146775  0.0528765   0.00723417  97  MET   A CA   
1255 C C    . MET   A 85  ? 0.163928  0.14918   0.139407  -0.00478687 0.0349048   -0.00168807 97  MET   A C    
1256 O O    . MET   A 85  ? 0.138861  0.171274  0.153305  0.0157911   0.0487422   -0.00347706 97  MET   A O    
1257 C CB   . MET   A 85  ? 0.175824  0.141492  0.154035  -0.00530873 0.0399216   0.00661028  97  MET   A CB   
1258 C CG   . MET   A 85  ? 0.170805  0.148091  0.166361  -0.00055852 0.0500464   0.00874114  97  MET   A CG   
1259 S SD   . MET   A 85  ? 0.178299  0.171113  0.157982  0.00157806  0.0727447   0.012248    97  MET   A SD   
1260 C CE   . MET   A 85  ? 0.164007  0.176185  0.188386  0.0114612   0.0613546   0.0260299   97  MET   A CE   
1261 H H    . MET   A 85  ? 0.151097  0.161053  0.129052  -0.0151928  0.0538456   0.0100978   97  MET   A H    
1262 H HA   . MET   A 85  ? 0.159316  0.151338  0.143563  -0.0109603  0.0444322   0.00583005  97  MET   A HA   
1263 H HB2  . MET   A 85  ? 0.16757   0.147234  0.153627  -0.00510983 0.0400165   0.00697331  97  MET   A HB2  
1264 H HB3  . MET   A 85  ? 0.168066  0.147866  0.154562  -0.00489806 0.0403201   0.00645522  97  MET   A HB3  
1265 H HG2  . MET   A 85  ? 0.171083  0.152818  0.162388  -0.00119756 0.0461492   0.00784232  97  MET   A HG2  
1266 H HG3  . MET   A 85  ? 0.170694  0.152377  0.161543  -0.00144709 0.0461112   0.00796731  97  MET   A HG3  
1267 H HE1  . MET   A 85  ? 0.167311  0.177885  0.180314  0.00742851  0.0559242   0.0205712   97  MET   A HE1  
1268 H HE2  . MET   A 85  ? 0.166093  0.175997  0.17939   0.00782872  0.0564236   0.0194673   97  MET   A HE2  
1269 H HE3  . MET   A 85  ? 0.167638  0.176241  0.179736  0.0076229   0.0562761   0.0195747   97  MET   A HE3  
1270 N N    . LYS   A 86  ? 0.175014  0.177266  0.147998  -0.0142212  0.0440555   -0.0108968  98  LYS   A N    
1271 C CA   . LYS   A 86  ? 0.160266  0.201374  0.144945  -0.0133316  0.0571148   -0.00115417 98  LYS   A CA   
1272 C C    . LYS   A 86  ? 0.170484  0.179668  0.152963  0.00744781  0.0659103   0.0105475   98  LYS   A C    
1273 O O    . LYS   A 86  ? 0.107348  0.188819  0.146986  -0.00748143 0.0948488   0.0104491   98  LYS   A O    
1274 C CB   . LYS   A 86  ? 0.207797  0.257351  0.139156  -0.018473   0.0339653   -0.0008341  98  LYS   A CB   
1275 C CG   . LYS   A 86  ? 0.23392   0.295493  0.156591  -0.0221524  0.0459531   -0.0235923  98  LYS   A CG   
1276 C CD   . LYS   A 86  ? 0.298709  0.356606  0.183449  -0.0194851  0.0342503   0.00674785  98  LYS   A CD   
1277 C CE   . LYS   A 86  ? 0.307415  0.413259  0.233106  -0.0492263  0.0361804   -0.00371386 98  LYS   A CE   
1278 N NZ   . LYS   A 86  ? 0.327268  0.454759  0.316723  -0.0310766  0.0277865   -0.0158049  98  LYS   A NZ   
1279 H H    . LYS   A 86  ? 0.16973   0.175909  0.14867   -0.0109254  0.0409423   -0.00575198 98  LYS   A H    
1280 H HA   . LYS   A 86  ? 0.17148   0.197318  0.149138  -0.00873332 0.0471048   -0.00014855 98  LYS   A HA   
1281 H HB2  . LYS   A 86  ? 0.200929  0.243857  0.152125  -0.0144329  0.0389328   -0.00349786 98  LYS   A HB2  
1282 H HB3  . LYS   A 86  ? 0.204419  0.243975  0.152128  -0.0135125  0.0384019   -0.00341588 98  LYS   A HB3  
1283 H HG2  . LYS   A 86  ? 0.237446  0.289473  0.166911  -0.0177003  0.0382176   -0.00897931 98  LYS   A HG2  
1284 H HG3  . LYS   A 86  ? 0.234665  0.289175  0.167655  -0.0176258  0.038248    -0.0084674  98  LYS   A HG3  
1285 H HD2  . LYS   A 86  ? 0.284233  0.341368  0.198562  -0.0202849  0.0350698   -0.00061245 98  LYS   A HD2  
1286 H HD3  . LYS   A 86  ? 0.291397  0.342063  0.198452  -0.0193496  0.0346379   -0.00118972 98  LYS   A HD3  
1287 H HE2  . LYS   A 86  ? 0.312088  0.396725  0.242816  -0.0320772  0.0338094   -0.00057968 98  LYS   A HE2  
1288 H HE3  . LYS   A 86  ? 0.313639  0.398605  0.246767  -0.0328595  0.0335835   -0.00231171 98  LYS   A HE3  
1289 H HZ1  . LYS   A 86  ? 0.328262  0.434003  0.299876  -0.0321291  0.0285194   -0.00970702 98  LYS   A HZ1  
1290 H HZ2  . LYS   A 86  ? 0.327554  0.429889  0.310394  -0.0297887  0.0240446   -0.0114166  98  LYS   A HZ2  
1291 H HZ3  . LYS   A 86  ? 0.328363  0.435148  0.302682  -0.029691   0.0288929   -0.00639085 98  LYS   A HZ3  
1292 N N    A LYS   A 87  ? 0.171267  0.189374  0.175006  -0.00778473 0.0604121   0.0202849   99  LYS   A N    
1293 N N    B LYS   A 87  ? 0.172355  0.196731  0.172283  -0.00613294 0.0645776   0.0277739   99  LYS   A N    
1294 C CA   A LYS   A 87  ? 0.186909  0.19889   0.172525  -0.00835471 0.0688231   0.0138951   99  LYS   A CA   
1295 C CA   B LYS   A 87  ? 0.19039   0.210479  0.165317  -0.00705401 0.0771367   0.0256616   99  LYS   A CA   
1296 C C    A LYS   A 87  ? 0.192928  0.216686  0.148543  -0.0133829  0.0802889   0.0169238   99  LYS   A C    
1297 C C    B LYS   A 87  ? 0.194416  0.220765  0.14357   -0.011814   0.0850208   0.0223458   99  LYS   A C    
1298 O O    A LYS   A 87  ? 0.161984  0.254813  0.151726  -0.0207865  0.110534    0.0204053   99  LYS   A O    
1299 O O    B LYS   A 87  ? 0.160797  0.259527  0.147367  -0.0201552  0.116087    0.0245589   99  LYS   A O    
1300 C CB   A LYS   A 87  ? 0.205307  0.215771  0.21842   -0.00468785 0.0625957   0.0174497   99  LYS   A CB   
1301 C CB   B LYS   A 87  ? 0.210098  0.239859  0.203779  -0.001269   0.0799952   0.0423832   99  LYS   A CB   
1302 C CG   A LYS   A 87  ? 0.214002  0.21262   0.254035  -0.00747347 0.0494923   7.924e-05   99  LYS   A CG   
1303 C CG   B LYS   A 87  ? 0.225823  0.254861  0.219255  -0.00181363 0.0764919   0.0462752   99  LYS   A CG   
1304 C CD   A LYS   A 87  ? 0.223632  0.259701  0.318317  -0.00513074 0.058877    -0.00269139 99  LYS   A CD   
1305 C CD   B LYS   A 87  ? 0.205716  0.273514  0.249564  -0.0122435  0.0908559   0.0575642   99  LYS   A CD   
1306 C CE   A LYS   A 87  ? 0.205413  0.266832  0.357425  -0.0231022  0.0699348   0.00827944  99  LYS   A CE   
1307 C CE   B LYS   A 87  ? 0.211529  0.274578  0.292655  -0.0201807  0.0936176   0.0527943   99  LYS   A CE   
1308 N NZ   A LYS   A 87  ? 0.221443  0.283793  0.398986  -0.0138064  0.090668    0.0155996   99  LYS   A NZ   
1309 N NZ   B LYS   A 87  ? 0.181736  0.263564  0.303834  -0.0282857  0.107334    0.0902957   99  LYS   A NZ   
1310 H H    A LYS   A 87  ? 0.174751  0.190675  0.169588  -0.00487638 0.0558155   0.0149761   99  LYS   A H    
1311 H H    B LYS   A 87  ? 0.176227  0.196555  0.167111  -0.00405693 0.0592371   0.0208584   99  LYS   A H    
1312 H HA   A LYS   A 87  ? 0.185238  0.201325  0.173747  -0.00721332 0.061603    0.0137849   99  LYS   A HA   
1313 H HA   B LYS   A 87  ? 0.187837  0.211055  0.167264  -0.00564748 0.0690254   0.024177    99  LYS   A HA   
1314 H HB2  A LYS   A 87  ? 0.203061  0.212725  0.213477  -0.00534059 0.0544888   0.0109962   99  LYS   A HB2  
1315 H HB2  B LYS   A 87  ? 0.209036  0.234517  0.200923  -0.00272962 0.0684977   0.0353977   99  LYS   A HB2  
1316 H HB3  A LYS   A 87  ? 0.203313  0.21252   0.214714  -0.0054157  0.053786    0.0113922   99  LYS   A HB3  
1317 H HB3  B LYS   A 87  ? 0.209252  0.235906  0.198519  -0.00131673 0.0697132   0.0348285   99  LYS   A HB3  
1318 H HG2  A LYS   A 87  ? 0.21445   0.223048  0.251042  -0.00478426 0.0492552   0.00458388  99  LYS   A HG2  
1319 H HG2  B LYS   A 87  ? 0.219337  0.25371   0.222112  -0.00340477 0.0710897   0.0412514   99  LYS   A HG2  
1320 H HG3  A LYS   A 87  ? 0.213806  0.224686  0.251746  -0.00487164 0.0493595   0.00408391  99  LYS   A HG3  
1321 H HG3  B LYS   A 87  ? 0.219455  0.2545    0.222075  -0.00265999 0.0705344   0.0407262   99  LYS   A HG3  
1322 H HD2  A LYS   A 87  ? 0.225174  0.258595  0.304289  -0.007503   0.0541404   -0.0013507  99  LYS   A HD2  
1323 H HD2  B LYS   A 87  ? 0.215746  0.267912  0.246201  -0.0100348  0.0793069   0.045979    99  LYS   A HD2  
1324 H HD3  A LYS   A 87  ? 0.225907  0.255882  0.305599  -0.00755355 0.0528387   0.00153106  99  LYS   A HD3  
1325 H HD3  B LYS   A 87  ? 0.216495  0.268093  0.248884  -0.00990258 0.0779916   0.0467731   99  LYS   A HD3  
1326 H HE2  A LYS   A 87  ? 0.224118  0.274939  0.34474   -0.0120398  0.0666856   0.00785881  99  LYS   A HE2  
1327 H HE2  B LYS   A 87  ? 0.213457  0.272653  0.281894  -0.0169293  0.082602    0.0536722   99  LYS   A HE2  
1328 H HE3  A LYS   A 87  ? 0.223915  0.274657  0.344214  -0.0119587  0.0665437   0.00789158  99  LYS   A HE3  
1329 H HE3  B LYS   A 87  ? 0.212544  0.271068  0.279625  -0.0172447  0.0837786   0.05246     99  LYS   A HE3  
1330 H HZ1  A LYS   A 87  ? 0.231279  0.287978  0.377665  -0.0113442  0.0776994   0.0131553   99  LYS   A HZ1  
1331 H HZ1  B LYS   A 87  ? 0.199474  0.26737   0.291434  -0.021209   0.0913084   0.0690225   99  LYS   A HZ1  
1332 H HZ2  A LYS   A 87  ? 0.231508  0.289119  0.374461  -0.0117946  0.0778201   0.0133333   99  LYS   A HZ2  
1333 H HZ2  B LYS   A 87  ? 0.195103  0.266713  0.285701  -0.0220491  0.0956204   0.0694235   99  LYS   A HZ2  
1334 H HZ3  A LYS   A 87  ? 0.23184   0.28868   0.374532  -0.0107843  0.077996    0.0139892   99  LYS   A HZ3  
1335 H HZ3  B LYS   A 87  ? 0.199315  0.263452  0.29008   -0.0206967  0.0908943   0.0703224   99  LYS   A HZ3  
1336 N N    . GLY   A 88  ? 0.164758  0.213691  0.151301  -0.0237099  0.0872212   0.0207953   100 GLY   A N    
1337 C CA   . GLY   A 88  ? 0.185264  0.227531  0.146264  -0.020105   0.0906671   0.020996    100 GLY   A CA   
1338 C C    . GLY   A 88  ? 0.193747  0.223971  0.151729  -0.0440091  0.0927707   0.0613199   100 GLY   A C    
1339 O O    . GLY   A 88  ? 0.223242  0.217691  0.167574  -0.0527673  0.105007    0.0528206   100 GLY   A O    
1340 H H    A GLY   A 88  ? 0.175324  0.213377  0.152716  -0.0174305  0.0766531   0.0178576   100 GLY   A H    
1341 H H    B GLY   A 88  ? 0.175522  0.214192  0.1526    -0.017097   0.0775429   0.0189963   100 GLY   A H    
1342 H HA2  . GLY   A 88  ? 0.182339  0.218049  0.152444  -0.0225247  0.0795072   0.0250051   100 GLY   A HA2  
1343 H HA3  . GLY   A 88  ? 0.179673  0.219539  0.149916  -0.0223637  0.0819446   0.0263249   100 GLY   A HA3  
1344 N N    . GLU   A 89  ? 0.170892  0.213156  0.118762  -0.032745   0.0703448   0.0446844   101 GLU   A N    
1345 C CA   . GLU   A 89  ? 0.177012  0.201058  0.118156  -0.0113575  0.057861    0.039952    101 GLU   A CA   
1346 C C    . GLU   A 89  ? 0.204883  0.189057  0.128654  -0.00297039 0.0364882   0.0331846   101 GLU   A C    
1347 O O    . GLU   A 89  ? 0.145932  0.177574  0.125941  -0.00503498 0.0348344   0.0482014   101 GLU   A O    
1348 C CB   . GLU   A 89  ? 0.181226  0.189326  0.127572  0.00179709  0.0580344   0.0188647   101 GLU   A CB   
1349 C CG   . GLU   A 89  ? 0.179745  0.187228  0.112787  0.0150202   0.0668371   0.0111075   101 GLU   A CG   
1350 C CD   . GLU   A 89  ? 0.182243  0.192675  0.154984  0.00040434  0.0565748   0.0150013   101 GLU   A CD   
1351 O OE1  . GLU   A 89  ? 0.209087  0.182957  0.164896  -0.00823727 0.0637255   -0.0160001  101 GLU   A OE1  
1352 O OE2  . GLU   A 89  ? 0.162988  0.172208  0.186502  -0.0113221  0.024019    0.0295899   101 GLU   A OE2  
1353 H H    . GLU   A 89  ? 0.175845  0.20838   0.131393  -0.0251763  0.0648488   0.0409553   101 GLU   A H    
1354 H HA   . GLU   A 89  ? 0.180284  0.195674  0.123959  -0.00997411 0.051061    0.0337306   101 GLU   A HA   
1355 H HB2  . GLU   A 89  ? 0.177766  0.189615  0.129072  0.00218061  0.0535235   0.0190595   101 GLU   A HB2  
1356 H HB3  . GLU   A 89  ? 0.177258  0.189864  0.131061  0.00223275  0.0538374   0.0183055   101 GLU   A HB3  
1357 H HG2  . GLU   A 89  ? 0.173336  0.183886  0.126027  0.0113195   0.0595342   0.00963847  101 GLU   A HG2  
1358 H HG3  . GLU   A 89  ? 0.17734   0.185386  0.125326  0.00857898  0.0567224   0.0139401   101 GLU   A HG3  
1359 N N    . ILE   A 90  ? 0.199275  0.180821  0.132043  -0.0154756  0.0222836   0.0309174   102 ILE   A N    
1360 C CA   . ILE   A 90  ? 0.189685  0.164193  0.158817  -0.0264975  0.028779    0.0152659   102 ILE   A CA   
1361 C C    . ILE   A 90  ? 0.192848  0.180415  0.156913  -0.0161573  0.005135    0.0185876   102 ILE   A C    
1362 O O    . ILE   A 90  ? 0.184844  0.1952    0.158948  -0.00921943 -0.0227435  0.0197051   102 ILE   A O    
1363 C CB   . ILE   A 90  ? 0.204293  0.161624  0.171579  -0.0418789  0.0372322   0.00672062  102 ILE   A CB   
1364 C CG1  . ILE   A 90  ? 0.240374  0.175224  0.20166   -0.0633849  0.0217627   -0.00364378 102 ILE   A CG1  
1365 C CG2  . ILE   A 90  ? 0.239014  0.14323   0.195439  -0.0261378  0.048189    0.00394604  102 ILE   A CG2  
1366 C CD1  . ILE   A 90  ? 0.253271  0.194907  0.247392  -0.084056   0.026634    0.00666652  102 ILE   A CD1  
1367 H H    . ILE   A 90  ? 0.194082  0.179263  0.137283  -0.0123933  0.0258653   0.025142    102 ILE   A H    
1368 H HA   . ILE   A 90  ? 0.189843  0.171778  0.159699  -0.0210138  0.0230444   0.0145863   102 ILE   A HA   
1369 H HB   . ILE   A 90  ? 0.208288  0.165302  0.175603  -0.0338241  0.0313299   0.00598598  102 ILE   A HB   
1370 H HG12 . ILE   A 90  ? 0.228707  0.181214  0.202742  -0.0523863  0.0244425   0.00146316  102 ILE   A HG12 
1371 H HG13 . ILE   A 90  ? 0.230462  0.181859  0.20338   -0.0535815  0.0237099   0.00184573  102 ILE   A HG13 
1372 H HG21 . ILE   A 90  ? 0.223685  0.152478  0.19037   -0.0261625  0.0404453   0.00508681  102 ILE   A HG21 
1373 H HG22 . ILE   A 90  ? 0.223565  0.156227  0.192639  -0.0258409  0.0407578   0.0040232   102 ILE   A HG22 
1374 H HG23 . ILE   A 90  ? 0.225912  0.156624  0.190354  -0.024614   0.0415153   0.00521483  102 ILE   A HG23 
1375 H HD11 . ILE   A 90  ? 0.247131  0.196536  0.238774  -0.0667691  0.0238937   0.00214566  102 ILE   A HD11 
1376 H HD12 . ILE   A 90  ? 0.247028  0.196434  0.234056  -0.0665659  0.0232377   0.00302179  102 ILE   A HD12 
1377 H HD13 . ILE   A 90  ? 0.249032  0.196942  0.234862  -0.0675337  0.0218439   0.00412545  102 ILE   A HD13 
1378 N N    . ALA   A 91  ? 0.175365  0.178316  0.153038  -0.0149197  0.00403261  0.0245113   103 ALA   A N    
1379 C CA   . ALA   A 91  ? 0.142942  0.185924  0.139693  -0.0104608  0.0211032   -0.00385347 103 ALA   A CA   
1380 C C    . ALA   A 91  ? 0.150691  0.156816  0.139913  -0.00694206 0.00844581  0.0041951   103 ALA   A C    
1381 O O    . ALA   A 91  ? 0.0977389 0.194598  0.131565  -0.0137875  0.0175878   0.00068787  103 ALA   A O    
1382 C CB   . ALA   A 91  ? 0.12214   0.196954  0.136222  -0.0106372  0.0235269   -0.0205162  103 ALA   A CB   
1383 H H    . ALA   A 91  ? 0.170208  0.180014  0.152978  -0.0123109  0.0086873   0.0142855   103 ALA   A H    
1384 H HA   . ALA   A 91  ? 0.147522  0.178931  0.143919  -0.00904366 0.0146377   0.00014159  103 ALA   A HA   
1385 H HB1  . ALA   A 91  ? 0.128403  0.188743  0.137993  -0.00750742 0.0222216   -0.0141583  103 ALA   A HB1  
1386 H HB2  . ALA   A 91  ? 0.129773  0.1893    0.139201  -0.00839254 0.021149    -0.0134786  103 ALA   A HB2  
1387 H HB3  . ALA   A 91  ? 0.12785   0.188821  0.138864  -0.00927681 0.020628    -0.0136599  103 ALA   A HB3  
1388 N N    . HIS   A 92  ? 0.144272  0.158727  0.142548  -0.00658134 0.00693464  0.0112262   104 HIS   A N    
1389 C CA   . HIS   A 92  ? 0.174095  0.158464  0.153178  0.0116145   -0.0032735  -0.00054162 104 HIS   A CA   
1390 C C    . HIS   A 92  ? 0.149038  0.159872  0.15172   0.00051563  -0.0114243  -0.00386058 104 HIS   A C    
1391 O O    . HIS   A 92  ? 0.169589  0.162207  0.172502  -0.017046   -0.00260633 -0.0158368  104 HIS   A O    
1392 C CB   . HIS   A 92  ? 0.185488  0.167177  0.158352  0.0180078   -0.00440197 0.0123346   104 HIS   A CB   
1393 C CG   . HIS   A 92  ? 0.177182  0.149445  0.165185  0.0221993   -0.00757126 0.0230754   104 HIS   A CG   
1394 N ND1  . HIS   A 92  ? 0.196856  0.143392  0.203909  0.017395    -0.0229039  0.0376676   104 HIS   A ND1  
1395 C CD2  . HIS   A 92  ? 0.210606  0.144901  0.153927  0.0232474   -0.0203193  0.0161434   104 HIS   A CD2  
1396 C CE1  . HIS   A 92  ? 0.207741  0.1667    0.215212  0.0193769   -0.0431372  0.0320901   104 HIS   A CE1  
1397 N NE2  . HIS   A 92  ? 0.208618  0.16141   0.176925  0.0249996   -0.031005   0.0299931   104 HIS   A NE2  
1398 H H    . HIS   A 92  ? 0.151297  0.158036  0.144423  -0.00221802 0.00540531  0.00594808  104 HIS   A H    
1399 H HA   . HIS   A 92  ? 0.163219  0.161423  0.152277  0.00583715  -0.001848   0.00274126  104 HIS   A HA   
1400 H HB2  . HIS   A 92  ? 0.179212  0.162886  0.16018   0.0153111   -0.00355766 0.0102497   104 HIS   A HB2  
1401 H HB3  . HIS   A 92  ? 0.180423  0.162856  0.160171  0.0153025   -0.00420627 0.0101266   104 HIS   A HB3  
1402 H HD1  . HIS   A 92  ? 0.181112  0.181112  0.181112  0           0           0           104 HIS   A HD1  
1403 H HD2  . HIS   A 92  ? 0.195872  0.154151  0.162468  0.0207162   -0.0149749  0.0176852   104 HIS   A HD2  
1404 H HE1  . HIS   A 92  ? 0.204096  0.168539  0.202664  0.0176858   -0.0287624  0.0273272   104 HIS   A HE1  
1405 H HE2  . HIS   A 92  ? 0.184025  0.184025  0.184025  0           0           0           104 HIS   A HE2  
1406 N N    . LEU   A 93  ? 0.180144  0.166598  0.153585  -0.00457719 -0.0214898  -0.00898968 105 LEU   A N    
1407 C CA   . LEU   A 93  ? 0.171512  0.178759  0.152838  0.00156547  0.01323     -0.00717172 105 LEU   A CA   
1408 C C    . LEU   A 93  ? 0.154304  0.188189  0.151571  -0.00205213 0.00743108  -0.0127589  105 LEU   A C    
1409 O O    . LEU   A 93  ? 0.101324  0.188728  0.164057  -0.0173084  0.0221959   -0.0200848  105 LEU   A O    
1410 C CB   . LEU   A 93  ? 0.194449  0.163536  0.156291  0.00431935  -0.00728824 -0.0182613  105 LEU   A CB   
1411 C CG   . LEU   A 93  ? 0.2401    0.174474  0.151723  0.0248973   -0.00886473 -0.0120905  105 LEU   A CG   
1412 C CD1  . LEU   A 93  ? 0.274168  0.178234  0.17011   0.0403951   -0.0107317  -0.0220836  105 LEU   A CD1  
1413 C CD2  . LEU   A 93  ? 0.278858  0.216075  0.131901  0.0186543   -0.0119584  -0.0117021  105 LEU   A CD2  
1414 H H    . LEU   A 93  ? 0.169054  0.166424  0.153287  -0.00172729 -0.00902252 -0.00768169 105 LEU   A H    
1415 H HA   . LEU   A 93  ? 0.172965  0.177072  0.157316  0.00055122  0.00309465  -0.00758354 105 LEU   A HA   
1416 H HB2  . LEU   A 93  ? 0.192702  0.169146  0.154363  0.00693005  -0.00107422 -0.0139166  105 LEU   A HB2  
1417 H HB3  . LEU   A 93  ? 0.192607  0.169303  0.156144  0.00644246  -0.00063191 -0.0119963  105 LEU   A HB3  
1418 H HG   . LEU   A 93  ? 0.233827  0.18142   0.15793   0.0197642   -0.00590807 -0.0115269  105 LEU   A HG   
1419 H HD11 . LEU   A 93  ? 0.257069  0.182748  0.170209  0.0324233   -0.00702766 -0.0161464  105 LEU   A HD11 
1420 H HD12 . LEU   A 93  ? 0.258779  0.183758  0.171178  0.0318391   -0.00734305 -0.0151209  105 LEU   A HD12 
1421 H HD13 . LEU   A 93  ? 0.258146  0.184951  0.171281  0.0336955   -0.00737565 -0.0159267  105 LEU   A HD13 
1422 H HD21 . LEU   A 93  ? 0.259255  0.205396  0.148978  0.0197516   -0.00744004 -0.00790559 105 LEU   A HD21 
1423 H HD22 . LEU   A 93  ? 0.261414  0.207163  0.149351  0.0209156   -0.00768596 -0.00867782 105 LEU   A HD22 
1424 H HD23 . LEU   A 93  ? 0.264097  0.206619  0.149423  0.0182234   -0.00812106 -0.00795997 105 LEU   A HD23 
1425 N N    . LEU   A 94  ? 0.150813  0.207046  0.15471   -0.00402812 0.0184601   -0.0152675  106 LEU   A N    
1426 C CA   . LEU   A 94  ? 0.149418  0.207228  0.169347  -0.00129732 0.0141945   -0.0125027  106 LEU   A CA   
1427 C C    . LEU   A 94  ? 0.163918  0.209149  0.168357  -0.00449944 0.00370182  -0.014578   106 LEU   A C    
1428 O O    . LEU   A 94  ? 0.223311  0.215688  0.198974  -0.0215819  -0.00695431 -0.0139719  106 LEU   A O    
1429 C CB   . LEU   A 94  ? 0.193119  0.244898  0.177644  0.00792448  0.00456672  0.0046857   106 LEU   A CB   
1430 C CG   . LEU   A 94  ? 0.19001   0.286272  0.231109  0.0103215   0.0107297   -0.00427458 106 LEU   A CG   
1431 C CD1  . LEU   A 94  ? 0.192355  0.285249  0.26872   0.00205887  0.0178526   -0.00833625 106 LEU   A CD1  
1432 C CD2  . LEU   A 94  ? 0.198027  0.304565  0.267514  0.0216276   -0.00900062 -0.0129778  106 LEU   A CD2  
1433 H H    . LEU   A 94  ? 0.153715  0.198437  0.158293  -0.00236218 0.0138188   -0.0124736  106 LEU   A H    
1434 H HA   . LEU   A 94  ? 0.160076  0.208025  0.168119  -0.0007494  0.0113407   -0.0102547  106 LEU   A HA   
1435 H HB2  . LEU   A 94  ? 0.182834  0.237328  0.187664  0.00549079  0.00833908  -0.00098766 106 LEU   A HB2  
1436 H HB3  . LEU   A 94  ? 0.182808  0.238167  0.188341  0.0055734   0.00850076  -0.00010195 106 LEU   A HB3  
1437 H HG   . LEU   A 94  ? 0.198239  0.275149  0.232007  0.0092982   0.00739844  -0.00383058 106 LEU   A HG   
1438 H HD11 . LEU   A 94  ? 0.200707  0.280779  0.257879  0.00368061  0.017184    -0.00629668 106 LEU   A HD11 
1439 H HD12 . LEU   A 94  ? 0.199925  0.281701  0.256572  0.00421177  0.0154128   -0.0056919  106 LEU   A HD12 
1440 H HD13 . LEU   A 94  ? 0.199982  0.282055  0.256798  0.00436404  0.0152186   -0.00594535 106 LEU   A HD13 
1441 H HD21 . LEU   A 94  ? 0.204475  0.296436  0.257305  0.0163194   -0.0012622  -0.00804954 106 LEU   A HD21 
1442 H HD22 . LEU   A 94  ? 0.204882  0.298243  0.259366  0.0171607   -0.00240073 -0.010492   106 LEU   A HD22 
1443 H HD23 . LEU   A 94  ? 0.20608   0.295893  0.257311  0.0158126   -0.00193795 -0.0083395  106 LEU   A HD23 
1444 N N    . ILE   A 95  ? 0.155145  0.216776  0.175757  2.594e-05   0.0347988   -0.0039961  107 ILE   A N    
1445 C CA   . ILE   A 95  ? 0.13822   0.228821  0.18912   -0.0119646  0.0170116   -0.00695873 107 ILE   A CA   
1446 C C    . ILE   A 95  ? 0.13841   0.246721  0.203923  -0.0199221  0.0229009   0.0058368   107 ILE   A C    
1447 O O    . ILE   A 95  ? 0.176775  0.247904  0.209794  -0.0500291  -0.00061177 0.0129522   107 ILE   A O    
1448 C CB   . ILE   A 95  ? 0.102122  0.229743  0.207743  -0.00514824 0.0183994   -0.00193494 107 ILE   A CB   
1449 C CG1  . ILE   A 95  ? 0.0933547 0.228958  0.199308  0.00846853  0.0075573   -0.013323   107 ILE   A CG1  
1450 C CG2  . ILE   A 95  ? 0.114115  0.216849  0.225011  -0.00083818 -0.00527033 0.00435382  107 ILE   A CG2  
1451 C CD1  . ILE   A 95  ? 0.102589  0.237314  0.207987  -0.00030427 0.00622673  -0.0122121  107 ILE   A CD1  
1452 H H    . ILE   A 95  ? 0.156797  0.212784  0.177593  -0.002625   0.0213056   -0.00637192 107 ILE   A H    
1453 H HA   . ILE   A 95  ? 0.141858  0.223766  0.191646  -0.00788438 0.0203373   -0.00308646 107 ILE   A HA   
1454 H HB   . ILE   A 95  ? 0.11934   0.222911  0.203974  -0.00088663 0.0122328   -0.00198133 107 ILE   A HB   
1455 H HG12 . ILE   A 95  ? 0.108448  0.222364  0.200729  0.00603617  0.0114012   -0.00760807 107 ILE   A HG12 
1456 H HG13 . ILE   A 95  ? 0.109252  0.22471   0.200165  0.00523902  0.0109628   -0.00681062 107 ILE   A HG13 
1457 H HG21 . ILE   A 95  ? 0.120834  0.217762  0.214999  -0.00030571 0.00163201  0.0033739   107 ILE   A HG21 
1458 H HG22 . ILE   A 95  ? 0.122552  0.216636  0.216259  -0.00034865 0.00327235  0.00291997  107 ILE   A HG22 
1459 H HG23 . ILE   A 95  ? 0.125357  0.218187  0.217443  -0.00072022 0.00168003  0.00381088  107 ILE   A HG23 
1460 H HD11 . ILE   A 95  ? 0.112429  0.230638  0.203785  0.00401578  0.0086917   -0.00860107 107 ILE   A HD11 
1461 H HD12 . ILE   A 95  ? 0.112528  0.230327  0.204231  0.00419641  0.00850117  -0.00870569 107 ILE   A HD12 
1462 H HD13 . ILE   A 95  ? 0.112243  0.230372  0.204628  0.00409376  0.00867928  -0.00867348 107 ILE   A HD13 
1463 N N    . LYS   A 96  ? 0.121073  0.311822  0.242476  -0.0544359  0.0532923   0.0134992   108 LYS   A N    
1464 C CA   . LYS   A 96  ? 0.0964219 0.308005  0.252517  -0.0347292  0.0391642   0.0232907   108 LYS   A CA   
1465 C C    . LYS   A 96  ? 0.109269  0.288482  0.244113  -0.0335356  0.0426992   0.0263566   108 LYS   A C    
1466 O O    . LYS   A 96  ? 0.132124  0.301765  0.255961  -0.022022   0.0266378   0.0466826   108 LYS   A O    
1467 C CB   . LYS   A 96  ? 0.192677  0.354041  0.269165  -0.0537207  0.0126566   -0.0033075  108 LYS   A CB   
1468 C CG   . LYS   A 96  ? 0.206596  0.423255  0.32636   -0.0539929  -0.0335529  0.00370811  108 LYS   A CG   
1469 C CD   . LYS   A 96  ? 0.323553  0.570053  0.405253  -0.0717014  -0.0721968  -0.0349194  108 LYS   A CD   
1470 C CE   . LYS   A 96  ? 0.324813  0.614072  0.43125   -0.093918   -0.13786    -0.0135325  108 LYS   A CE   
1471 N NZ   . LYS   A 96  ? 0.473758  0.669262  0.528896  -0.0809556  -0.102337   -0.0298696  108 LYS   A NZ   
1472 H H    . LYS   A 96  ? 0.137469  0.289238  0.23646   -0.0343662  0.0379058   0.0162127   108 LYS   A H    
1473 H HA   . LYS   A 96  ? 0.132302  0.298546  0.249765  -0.0296726  0.036904    0.0182978   108 LYS   A HA   
1474 H HB2  . LYS   A 96  ? 0.184585  0.347532  0.276767  -0.0409053  0.0120164   0.00732455  108 LYS   A HB2  
1475 H HB3  . LYS   A 96  ? 0.185902  0.345799  0.278255  -0.0383951  0.0101824   0.006444    108 LYS   A HB3  
1476 H HG2  . LYS   A 96  ? 0.234196  0.411553  0.323251  -0.0459275  -0.0201019  -0.00211279 108 LYS   A HG2  
1477 H HG3  . LYS   A 96  ? 0.233732  0.413464  0.323147  -0.0468986  -0.0197168  -0.00211978 108 LYS   A HG3  
1478 H HD2  . LYS   A 96  ? 0.312747  0.534613  0.397438  -0.0627888  -0.0621458  -0.0135719  108 LYS   A HD2  
1479 H HD3  . LYS   A 96  ? 0.318662  0.527068  0.400688  -0.0590558  -0.0669478  -0.0145001  108 LYS   A HD3  
1480 H HE2  . LYS   A 96  ? 0.36457   0.595137  0.447257  -0.0716199  -0.0952669  -0.0164582  108 LYS   A HE2  
1481 H HE3  . LYS   A 96  ? 0.363323  0.595738  0.446475  -0.0727985  -0.0939123  -0.0159975  108 LYS   A HE3  
1482 H HZ1  . LYS   A 96  ? 0.449367  0.642439  0.512819  -0.0697106  -0.103381   -0.0230103  108 LYS   A HZ1  
1483 H HZ2  . LYS   A 96  ? 0.44178   0.645914  0.507897  -0.0771186  -0.0970882  -0.0201223  108 LYS   A HZ2  
1484 H HZ3  . LYS   A 96  ? 0.440468  0.642818  0.522888  -0.0746029  -0.0922259  -0.025422   108 LYS   A HZ3  
1485 N N    . PRO   A 97  ? 0.111211  0.299154  0.242501  -0.00646539 0.0420174   0.0281132   109 PRO   A N    
1486 C CA   . PRO   A 97  ? 0.0689242 0.324671  0.232551  -0.031751   0.0847854   0.0434509   109 PRO   A CA   
1487 C C    . PRO   A 97  ? 0.0883806 0.329209  0.246888  -0.0490907  0.0540659   0.0373596   109 PRO   A C    
1488 O O    . PRO   A 97  ? 0.117174  0.393409  0.237309  -0.0529612  0.0574816   0.0160878   109 PRO   A O    
1489 C CB   . PRO   A 97  ? 0.0561301 0.343058  0.243691  -0.0282434  0.0718349   0.0316662   109 PRO   A CB   
1490 C CG   . PRO   A 97  ? 0.14655   0.373434  0.257025  -0.0147043  0.0567448   0.0349593   109 PRO   A CG   
1491 C CD   . PRO   A 97  ? 0.097161  0.346596  0.257337  -0.0207008  0.0507741   0.0280416   109 PRO   A CD   
1492 H HA   . PRO   A 97  ? 0.0978269 0.311122  0.239298  -0.0233225  0.0647181   0.0359097   109 PRO   A HA   
1493 H HB2  . PRO   A 97  ? 0.09755   0.329677  0.243664  -0.0189879  0.0693674   0.0359076   109 PRO   A HB2  
1494 H HB3  . PRO   A 97  ? 0.0985689 0.328885  0.239406  -0.0184692  0.0685098   0.0317972   109 PRO   A HB3  
1495 H HG2  . PRO   A 97  ? 0.143007  0.354512  0.258333  -0.00686545 0.0571481   0.0326064   109 PRO   A HG2  
1496 H HG3  . PRO   A 97  ? 0.13372   0.352765  0.258569  -0.0119153  0.0571281   0.0327229   109 PRO   A HG3  
1497 H HD2  . PRO   A 97  ? 0.128499  0.326222  0.252104  -0.0124413  0.045796    0.0265007   109 PRO   A HD2  
1498 H HD3  . PRO   A 97  ? 0.128791  0.330318  0.254543  -0.0105341  0.047632    0.0278846   109 PRO   A HD3  
1499 N N    A GLU   A 98  ? 0.124058  0.329936  0.262401  -0.0405823  0.0245764   0.0269891   110 GLU   A N    
1500 N N    B GLU   A 98  ? 0.130091  0.333543  0.265482  -0.0403471  0.0273995   0.0265741   110 GLU   A N    
1501 C CA   A GLU   A 98  ? 0.14188   0.309524  0.294537  -0.0527942  0.0111466   0.0351816   110 GLU   A CA   
1502 C CA   B GLU   A 98  ? 0.154187  0.316916  0.304692  -0.0507556  0.0161683   0.0373656   110 GLU   A CA   
1503 C C    A GLU   A 98  ? 0.151348  0.311548  0.300003  -0.0580903  -0.00156406 0.0524339   110 GLU   A C    
1504 C C    B GLU   A 98  ? 0.161391  0.313872  0.303439  -0.0582032  0.00084872  0.0543658   110 GLU   A C    
1505 O O    A GLU   A 98  ? 0.185547  0.306991  0.351619  -0.0437748  -0.00985564 0.0626097   110 GLU   A O    
1506 O O    B GLU   A 98  ? 0.187192  0.31073   0.354097  -0.0430706  -0.00882067 0.0641182   110 GLU   A O    
1507 C CB   A GLU   A 98  ? 0.150969  0.310279  0.334737  -0.0561459  -0.0229048  0.033739    110 GLU   A CB   
1508 C CB   B GLU   A 98  ? 0.180632  0.324553  0.357562  -0.0565883  -0.018245   0.0336686   110 GLU   A CB   
1509 C CG   A GLU   A 98  ? 0.156939  0.317799  0.365981  -0.0542533  -0.0357914  0.0269307   110 GLU   A CG   
1510 C CG   B GLU   A 98  ? 0.242556  0.334426  0.42017   -0.0525757  -0.0308551  0.0330939   110 GLU   A CG   
1511 C CD   A GLU   A 98  ? 0.169513  0.316468  0.399387  -0.0535466  -0.0578077  0.0265715   110 GLU   A CD   
1512 C CD   B GLU   A 98  ? 0.293425  0.331558  0.440783  -0.0311614  -0.0415304  0.0127294   110 GLU   A CD   
1513 O OE1  A GLU   A 98  ? 0.12005   0.240575  0.38321   -0.0597655  -0.101374   0.0452455   110 GLU   A OE1  
1514 O OE1  B GLU   A 98  ? 0.252152  0.339953  0.485569  -0.0237122  -0.00827564 0.0317512   110 GLU   A OE1  
1515 O OE2  A GLU   A 98  ? 0.178797  0.344588  0.482214  -0.0066578  -0.0606562  0.0249608   110 GLU   A OE2  
1516 O OE2  B GLU   A 98  ? 0.362627  0.279054  0.469189  -0.0556199  -0.0891434  0.0489317   110 GLU   A OE2  
1517 H H    A GLU   A 98  ? 0.135334  0.317744  0.261761  -0.0356055  0.0281361   0.0314885   110 GLU   A H    
1518 H H    B GLU   A 98  ? 0.140455  0.321225  0.26532   -0.0353124  0.03061     0.0315671   110 GLU   A H    
1519 H HA   A GLU   A 98  ? 0.156835  0.30925   0.29007   -0.043068   0.00946699  0.0346432   110 GLU   A HA   
1520 H HA   B GLU   A 98  ? 0.169596  0.316094  0.299065  -0.0426086  0.0129494   0.0356053   110 GLU   A HA   
1521 H HB2  A GLU   A 98  ? 0.16824   0.309429  0.32702   -0.0448733  -0.0111461  0.0307282   110 GLU   A HB2  
1522 H HB2  B GLU   A 98  ? 0.195919  0.32174   0.348704  -0.0442784  -0.00709176 0.0324898   110 GLU   A HB2  
1523 H HB3  A GLU   A 98  ? 0.167443  0.308314  0.325572  -0.0446558  -0.0109028  0.0312508   110 GLU   A HB3  
1524 H HB3  B GLU   A 98  ? 0.200102  0.322023  0.350291  -0.0449431  -0.00760454 0.0319957   110 GLU   A HB3  
1525 H HG2  A GLU   A 98  ? 0.177862  0.31197   0.355348  -0.0454933  -0.0281064  0.0261881   110 GLU   A HG2  
1526 H HG2  B GLU   A 98  ? 0.252355  0.333272  0.399718  -0.0414338  -0.0226891  0.0272411   110 GLU   A HG2  
1527 H HG3  A GLU   A 98  ? 0.177709  0.314511  0.355625  -0.044652   -0.0273563  0.0277999   110 GLU   A HG3  
1528 H HG3  B GLU   A 98  ? 0.251895  0.333497  0.402185  -0.0409689  -0.0240302  0.0264901   110 GLU   A HG3  
1529 N N    . TYR   A 99  ? 0.169803  0.286284  0.31056   -0.0676593  -0.0089575  0.0490493   111 TYR   A N    
1530 C CA   . TYR   A 99  ? 0.165273  0.277998  0.264494  -0.0399464  0.0324629   0.0284412   111 TYR   A CA   
1531 C C    . TYR   A 99  ? 0.125077  0.28491   0.226674  -0.0391857  0.0215543   0.0276565   111 TYR   A C    
1532 O O    . TYR   A 99  ? 0.131683  0.288144  0.226669  -0.0408446  0.056785    0.0270684   111 TYR   A O    
1533 C CB   . TYR   A 99  ? 0.145961  0.245345  0.261264  -0.0405259  0.0310427   0.0128847   111 TYR   A CB   
1534 C CG   . TYR   A 99  ? 0.149313  0.246839  0.257891  -0.00958288 0.0574836   0.00494172  111 TYR   A CG   
1535 C CD1  . TYR   A 99  ? 0.141674  0.247825  0.245758  -0.0119148  0.0674428   -0.00371948 111 TYR   A CD1  
1536 C CD2  . TYR   A 99  ? 0.156228  0.245626  0.270538  0.0118001   0.0491246   0.00588552  111 TYR   A CD2  
1537 C CE1  . TYR   A 99  ? 0.149258  0.256918  0.280182  -0.0172749  0.0589095   -0.0125697  111 TYR   A CE1  
1538 C CE2  . TYR   A 99  ? 0.17701   0.253801  0.306894  -0.00216068 0.0356917   0.00259494  111 TYR   A CE2  
1539 C CZ   . TYR   A 99  ? 0.180026  0.241406  0.286979  -0.0173978  0.0392242   -0.0124051  111 TYR   A CZ   
1540 O OH   . TYR   A 99  ? 0.222706  0.213137  0.381956  -0.0514584  -0.0116581  -0.0302271  111 TYR   A OH   
1541 H H    A TYR   A 99  ? 0.176281  0.28848   0.292789  -0.049751   0.00503889  0.0403156   111 TYR   A H    
1542 H H    B TYR   A 99  ? 0.17821   0.288468  0.293327  -0.0496741  0.00536604  0.0408217   111 TYR   A H    
1543 H HA   . TYR   A 99  ? 0.165377  0.273513  0.262643  -0.0383468  0.0217168   0.026381    111 TYR   A HA   
1544 H HB2  . TYR   A 99  ? 0.158261  0.24919   0.255349  -0.0273294  0.034526    0.0139344   111 TYR   A HB2  
1545 H HB3  . TYR   A 99  ? 0.153864  0.24971   0.255022  -0.0278843  0.0352887   0.0140115   111 TYR   A HB3  
1546 H HD1  . TYR   A 99  ? 0.154099  0.245787  0.25199   -0.0087423  0.0570798   -0.001968   111 TYR   A HD1  
1547 H HD2  . TYR   A 99  ? 0.166093  0.246777  0.268906  0.00348721  0.0428964   0.00529556  111 TYR   A HD2  
1548 H HE1  . TYR   A 99  ? 0.16407   0.249938  0.267906  -0.012626   0.0499048   -0.00756001 111 TYR   A HE1  
1549 H HE2  . TYR   A 99  ? 0.18323   0.251974  0.287663  -0.00270046 0.0368338   0.0010859   111 TYR   A HE2  
1550 H HH   . TYR   A 99  ? 0.273314  0.273314  0.273314  0           0           0           111 TYR   A HH   
1551 N N    . ALA   A 100 ? 0.164453  0.307735  0.190107  -0.03917    0.0414318   0.0296926   112 ALA   A N    
1552 C CA   . ALA   A 100 ? 0.16772   0.296732  0.2202    -0.0636646  0.0414977   0.0623835   112 ALA   A CA   
1553 C C    . ALA   A 100 ? 0.103772  0.305854  0.194312  -0.0531355  0.0441019   0.0668179   112 ALA   A C    
1554 O O    . ALA   A 100 ? 0.164791  0.357736  0.227935  -0.0141697  0.0442942   0.0729705   112 ALA   A O    
1555 C CB   . ALA   A 100 ? 0.129306  0.277581  0.204736  -0.0807925  0.0615057   0.0564034   112 ALA   A CB   
1556 H H    . ALA   A 100 ? 0.168041  0.292069  0.210647  -0.0365972  0.0334164   0.0332316   112 ALA   A H    
1557 H HA   . ALA   A 100 ? 0.16868   0.289885  0.210169  -0.0507337  0.0424792   0.0497628   112 ALA   A HA   
1558 H HB1  . ALA   A 100 ? 0.146483  0.273347  0.202135  -0.0644441  0.0533643   0.0520305   112 ALA   A HB1  
1559 H HB2  . ALA   A 100 ? 0.140861  0.274536  0.206932  -0.0639399  0.0514413   0.0516718   112 ALA   A HB2  
1560 H HB3  . ALA   A 100 ? 0.147211  0.270728  0.205622  -0.0655217  0.0508226   0.0497099   112 ALA   A HB3  
1561 N N    . TYR   A 101 ? 0.159524  0.349515  0.213315  -0.0224467  0.0212476   0.0752714   113 TYR   A N    
1562 C CA   . TYR   A 101 ? 0.13631   0.374962  0.234717  -0.0519429  0.0260394   0.0454566   113 TYR   A CA   
1563 C C    . TYR   A 101 ? 0.111162  0.420706  0.255773  -0.0332875  0.0546972   0.0351799   113 TYR   A C    
1564 O O    . TYR   A 101 ? 0.244975  0.427114  0.260394  -0.0817189  0.0167514   0.0349925   113 TYR   A O    
1565 C CB   . TYR   A 101 ? 0.158341  0.39837   0.206056  -0.0344656  0.0519834   0.0391587   113 TYR   A CB   
1566 C CG   . TYR   A 101 ? 0.138469  0.384951  0.19004   -0.0239243  0.0601791   0.0509884   113 TYR   A CG   
1567 C CD1  . TYR   A 101 ? 0.0999721 0.381026  0.167623  -0.0261133  0.0964176   0.0642039   113 TYR   A CD1  
1568 C CD2  . TYR   A 101 ? 0.0488904 0.358738  0.158271  -0.0283742  0.0766103   0.0173214   113 TYR   A CD2  
1569 C CE1  . TYR   A 101 ? 0.0953022 0.356557  0.150999  -0.0138538  0.0795508   0.0401876   113 TYR   A CE1  
1570 C CE2  . TYR   A 101 ? 0.0797352 0.336918  0.142129  -0.026144   0.0973726   0.0114581   113 TYR   A CE2  
1571 C CZ   . TYR   A 101 ? 0.0718132 0.331643  0.141612  -0.0250572  0.0895267   0.0295002   113 TYR   A CZ   
1572 O OH   . TYR   A 101 ? 0.0516809 0.301906  0.169019  -0.00427587 0.0857767   0.00329246  113 TYR   A OH   
1573 H H    . TYR   A 101 ? 0.151853  0.328547  0.216816  -0.0279856  0.0279147   0.0632104   113 TYR   A H    
1574 H HA   . TYR   A 101 ? 0.157782  0.369319  0.235663  -0.0306773  0.0359416   0.0461605   113 TYR   A HA   
1575 H HB2  . TYR   A 101 ? 0.164973  0.379714  0.218746  -0.0277461  0.0497382   0.0406668   113 TYR   A HB2  
1576 H HB3  . TYR   A 101 ? 0.164849  0.377933  0.214687  -0.0271281  0.0495101   0.0420908   113 TYR   A HB3  
1577 H HD1  . TYR   A 101 ? 0.122849  0.357187  0.173539  -0.0154692  0.0840008   0.0580415   113 TYR   A HD1  
1578 H HD2  . TYR   A 101 ? 0.0816128 0.343095  0.162459  -0.0146959  0.0779659   0.0296756   113 TYR   A HD2  
1579 H HE1  . TYR   A 101 ? 0.103119  0.340584  0.160482  -0.00946922 0.0804353   0.0439322   113 TYR   A HE1  
1580 H HE2  . TYR   A 101 ? 0.0770814 0.324753  0.147338  -0.0177925  0.0968914   0.0267137   113 TYR   A HE2  
1581 H HH   . TYR   A 101 ? 0.178959  0.178959  0.178959  0           0           0           113 TYR   A HH   
1582 N N    . GLY   A 102 ? 0.0614295 0.442574  0.303292  -0.0728659  0.0984048   0.0503699   114 GLY   A N    
1583 C CA   . GLY   A 102 ? 0.139139  0.452815  0.245943  -0.126845   0.0399497   0.0359928   114 GLY   A CA   
1584 C C    . GLY   A 102 ? 0.210467  0.474045  0.251465  -0.0880808  0.0225396   0.0177187   114 GLY   A C    
1585 O O    . GLY   A 102 ? 0.246927  0.477434  0.261559  -0.0540899  0.021267    0.0158613   114 GLY   A O    
1586 H H    . GLY   A 102 ? 0.119899  0.424844  0.279376  -0.0579964  0.0743699   0.0461783   114 GLY   A H    
1587 H HA2  . GLY   A 102 ? 0.159335  0.43552   0.255906  -0.0873236  0.0490481   0.0322611   114 GLY   A HA2  
1588 H HA3  . GLY   A 102 ? 0.158758  0.437531  0.265857  -0.0858613  0.0509924   0.0374519   114 GLY   A HA3  
1589 N N    . SER   A 103 ? 0.146088  0.507208  0.381458  -0.0689515  0.0494644   -0.00962205 115 SER   A N    
1590 C CA   . SER   A 103 ? 0.0897225 0.552425  0.422746  -0.0547338  0.0322045   0.00638005  115 SER   A CA   
1591 C C    . SER   A 103 ? 0.0928674 0.588708  0.460086  -0.0399866  0.0749266   -0.0109447  115 SER   A C    
1592 O O    . SER   A 103 ? 0.184292  0.608471  0.581945  -0.0237516  -0.0295003  -0.0456559  115 SER   A O    
1593 C CB   . SER   A 103 ? 0.20494   0.517657  0.452076  -0.0205839  0.0345945   0.0267526   115 SER   A CB   
1594 O OG   . SER   A 103 ? 0.220619  0.513781  0.47314   -0.0167881  0.0732201   0.0501352   115 SER   A OG   
1595 H H    . SER   A 103 ? 0.182664  0.485537  0.356894  -0.0543966  0.041573    0.00800911  115 SER   A H    
1596 H HA   . SER   A 103 ? 0.159543  0.526735  0.421862  -0.0322037  0.0473804   0.0144848   115 SER   A HA   
1597 H HB2  . SER   A 103 ? 0.218929  0.516872  0.446688  -0.0202479  0.0410822   0.0312945   115 SER   A HB2  
1598 H HB3  . SER   A 103 ? 0.212843  0.515333  0.440583  -0.0184856  0.0428208   0.0289242   115 SER   A HB3  
1599 H HG   . SER   A 103 ? 0.407438  0.407438  0.407438  0           0           0           115 SER   A HG   
1600 N N    . ALA   A 104 ? 0.252306  0.637469  0.458941  -0.00891637 0.00092762  -0.0248655  116 ALA   A N    
1601 C CA   . ALA   A 104 ? 0.334671  0.585211  0.515535  -0.0432426  0.00637616  -0.0392626  116 ALA   A CA   
1602 C C    . ALA   A 104 ? 0.224594  0.558545  0.351563  -0.0352023  0.108974    -0.0523782  116 ALA   A C    
1603 O O    . ALA   A 104 ? 0.157316  0.571843  0.41106   -0.0256747  0.0704661   -0.0676477  116 ALA   A O    
1604 C CB   . ALA   A 104 ? 0.343171  0.59263   0.579655  -0.0111986  -0.0579611  -0.0563781  116 ALA   A CB   
1605 H H    . ALA   A 104 ? 0.260226  0.601155  0.474666  -0.018247   0.0250342   -0.0124978  116 ALA   A H    
1606 H HA   . ALA   A 104 ? 0.341708  0.580452  0.488022  -0.0243805  0.00784355  -0.0316856  116 ALA   A HA   
1607 H HB1  . ALA   A 104 ? 0.367197  0.585339  0.556127  -0.0141221  -0.030573   -0.0417778  116 ALA   A HB1  
1608 H HB2  . ALA   A 104 ? 0.372923  0.583437  0.558027  -0.0161168  -0.0337485  -0.0410815  116 ALA   A HB2  
1609 H HB3  . ALA   A 104 ? 0.366689  0.583309  0.555953  -0.015292   -0.030422   -0.0414379  116 ALA   A HB3  
1610 N N    . GLY   A 105 ? 0.123491  0.52637   0.339784  -0.0161058  0.0754436   -0.0300722  117 GLY   A N    
1611 C CA   . GLY   A 105 ? 0.0957053 0.516777  0.276568  -0.00934599 0.0864911   -0.0255216  117 GLY   A CA   
1612 C C    . GLY   A 105 ? 0.101997  0.500672  0.246351  -0.01193    0.113359    -0.0187595  117 GLY   A C    
1613 O O    . GLY   A 105 ? 0.100296  0.51408   0.250193  0.0116004   0.151161    0.0372902   117 GLY   A O    
1614 H H    . GLY   A 105 ? 0.171318  0.510905  0.333035  -0.00825307 0.0824438   -0.0225809  117 GLY   A H    
1615 H HA2  . GLY   A 105 ? 0.135906  0.496603  0.289244  -0.00054847 0.0920751   -0.0104866  117 GLY   A HA2  
1616 H HA3  . GLY   A 105 ? 0.136871  0.495852  0.294038  0.00059161  0.090512    -0.0114836  117 GLY   A HA3  
1617 N N    . SER   A 106 ? 0.121876  0.505785  0.264639  -0.0395358  0.098602    -0.0112435  118 SER   A N    
1618 C CA   . SER   A 106 ? 0.142725  0.526957  0.221242  -0.0453882  0.0961165   -0.00791963 118 SER   A CA   
1619 C C    . SER   A 106 ? 0.199856  0.576818  0.200376  -0.0437156  0.0622434   -0.0120395  118 SER   A C    
1620 O O    . SER   A 106 ? 0.160499  0.630229  0.141497  -0.0191625  0.112478    0.00636397  118 SER   A O    
1621 C CB   . SER   A 106 ? 0.1444    0.549318  0.242107  -0.0610701  0.117286    0.0407762   118 SER   A CB   
1622 O OG   . SER   A 106 ? 0.159191  0.6161    0.245893  -0.0911581  0.135912    0.0262458   118 SER   A OG   
1623 H H    . SER   A 106 ? 0.151572  0.489522  0.264019  -0.0201302  0.0977901   0.00020838  118 SER   A H    
1624 H HA   . SER   A 106 ? 0.17551   0.515042  0.247396  -0.0322235  0.0944093   0.0096134   118 SER   A HA   
1625 H HB2  . SER   A 106 ? 0.178599  0.527757  0.253458  -0.0469586  0.113353    0.0281497   118 SER   A HB2  
1626 H HB3  . SER   A 106 ? 0.177456  0.530019  0.25237   -0.0483041  0.114746    0.0348074   118 SER   A HB3  
1627 H HG   . SER   A 106 ? 0.342846  0.342846  0.342846  0           0           0           118 SER   A HG   
1628 N N    . LEU   A 107 ? 0.226573  0.550361  0.239792  -0.0328172  0.0879383   -0.0507913  119 LEU   A N    
1629 C CA   . LEU   A 107 ? 0.290825  0.555361  0.321289  -0.050802   0.0457175   -0.0538378  119 LEU   A CA   
1630 C C    . LEU   A 107 ? 0.356311  0.485334  0.284563  -0.0675685  -0.00015424 -0.0391865  119 LEU   A C    
1631 O O    . LEU   A 107 ? 0.282962  0.535231  0.213696  -0.01394    0.093889    -0.0203211  119 LEU   A O    
1632 C CB   . LEU   A 107 ? 0.286869  0.586604  0.382577  -0.071679   0.0486486   -0.0811123  119 LEU   A CB   
1633 C CG   . LEU   A 107 ? 0.275745  0.639517  0.476066  -0.0205821  0.0255259   -0.0372992  119 LEU   A CG   
1634 C CD1  . LEU   A 107 ? 0.37895   0.712565  0.576337  -0.0781692  0.0689765   -0.0445261  119 LEU   A CD1  
1635 C CD2  . LEU   A 107 ? 0.25769   0.642539  0.499441  -0.0633359  0.0396397   -0.024417   119 LEU   A CD2  
1636 H H    . LEU   A 107 ? 0.250142  0.534335  0.264602  -0.0301838  0.0728375   -0.0280886  119 LEU   A H    
1637 H HA   . LEU   A 107 ? 0.304034  0.533951  0.323181  -0.0427213  0.0454937   -0.0460151  119 LEU   A HA   
1638 H HB2  . LEU   A 107 ? 0.30528   0.57154   0.389992  -0.0443429  0.0422049   -0.055568   119 LEU   A HB2  
1639 H HB3  . LEU   A 107 ? 0.306497  0.563774  0.387089  -0.0443876  0.0421466   -0.0578354  119 LEU   A HB3  
1640 H HG   . LEU   A 107 ? 0.31517   0.620872  0.473799  -0.0370895  0.0403814   -0.0364155  119 LEU   A HG   
1641 H HD11 . LEU   A 107 ? 0.374812  0.684689  0.550793  -0.0469527  0.0542265   -0.0363163  119 LEU   A HD11 
1642 H HD12 . LEU   A 107 ? 0.382022  0.679214  0.55744   -0.0471801  0.0622157   -0.0332689  119 LEU   A HD12 
1643 H HD13 . LEU   A 107 ? 0.374981  0.683309  0.55237   -0.0482981  0.0532538   -0.0292659  119 LEU   A HD13 
1644 H HD21 . LEU   A 107 ? 0.28443   0.624168  0.486611  -0.0396991  0.0431567   -0.0195526  119 LEU   A HD21 
1645 H HD22 . LEU   A 107 ? 0.291588  0.62482   0.490841  -0.0385713  0.0386824   -0.0199367  119 LEU   A HD22 
1646 H HD23 . LEU   A 107 ? 0.290154  0.62517   0.48914   -0.0387388  0.0366308   -0.0198847  119 LEU   A HD23 
1647 N N    . PRO   A 108 ? 0.38794   0.533127  0.294052  -0.0722777  -0.00152055 -0.0252616  120 PRO   A N    
1648 C CA   . PRO   A 108 ? 0.374155  0.529108  0.338447  -0.074351   0.024962    -0.0439604  120 PRO   A CA   
1649 C C    . PRO   A 108 ? 0.31163   0.492755  0.315071  -0.0345512  0.0217959   -0.0518459  120 PRO   A C    
1650 O O    . PRO   A 108 ? 0.305795  0.476442  0.354787  -0.00303343 0.0408809   -0.0878587  120 PRO   A O    
1651 C CB   . PRO   A 108 ? 0.42477   0.532226  0.409102  -0.0845859  0.0279189   -0.0168391  120 PRO   A CB   
1652 C CG   . PRO   A 108 ? 0.408276  0.580247  0.380141  -0.106443   0.00488548  -0.016396   120 PRO   A CG   
1653 C CD   . PRO   A 108 ? 0.362803  0.541166  0.32597   -0.102665   0.0143974   -0.0447707  120 PRO   A CD   
1654 H HA   . PRO   A 108 ? 0.376211  0.512258  0.347222  -0.0570973  0.019773    -0.0316789  120 PRO   A HA   
1655 H HB2  . PRO   A 108 ? 0.414365  0.530512  0.39352   -0.0738752  0.0204656   -0.0186753  120 PRO   A HB2  
1656 H HB3  . PRO   A 108 ? 0.41788   0.532569  0.398125  -0.0747349  0.0171921   -0.0188355  120 PRO   A HB3  
1657 H HG2  . PRO   A 108 ? 0.410968  0.54933   0.386102  -0.083523   0.0104053   -0.0200874  120 PRO   A HG2  
1658 H HG3  . PRO   A 108 ? 0.408784  0.550577  0.38718   -0.0850158  0.0133506   -0.0172618  120 PRO   A HG3  
1659 H HD2  . PRO   A 108 ? 0.379246  0.531311  0.339519  -0.0791526  0.0118193   -0.027618   120 PRO   A HD2  
1660 H HD3  . PRO   A 108 ? 0.382081  0.53203   0.337395  -0.0812842  0.0119803   -0.0268922  120 PRO   A HD3  
1661 N N    . LYS   A 109 ? 0.295023  0.528694  0.286655  -0.0148317  0.024162    -0.0420935  121 LYS   A N    
1662 C CA   . LYS   A 109 ? 0.208765  0.509754  0.275647  0.0223871   0.0392518   -0.0593035  121 LYS   A CA   
1663 C C    . LYS   A 109 ? 0.143386  0.517596  0.298396  0.0180881   0.029805    -0.0200589  121 LYS   A C    
1664 O O    . LYS   A 109 ? 0.332748  0.428389  0.335663  0.045273    -0.00326408 -0.0481681  121 LYS   A O    
1665 C CB   . LYS   A 109 ? 0.192878  0.507934  0.270812  0.0468881   0.00213338  -0.0598768  121 LYS   A CB   
1666 C CG   . LYS   A 109 ? 0.25783   0.490699  0.381128  0.0685497   0.0048374   -0.0353151  121 LYS   A CG   
1667 C CD   . LYS   A 109 ? 0.31891   0.470614  0.43758   0.123735    -0.00163481 -0.00584758 121 LYS   A CD   
1668 C CE   . LYS   A 109 ? 0.390638  0.428492  0.435982  0.117432    -0.0202413  0.0404799   121 LYS   A CE   
1669 N NZ   . LYS   A 109 ? 0.389563  0.400436  0.42437   0.165352    -0.0368898  0.0210295   121 LYS   A NZ   
1670 H H    . LYS   A 109 ? 0.293494  0.501325  0.30456   -0.00630466 0.028405    -0.0390278  121 LYS   A H    
1671 H HA   . LYS   A 109 ? 0.231263  0.487977  0.29493   0.0220503   0.0311694   -0.0371452  121 LYS   A HA   
1672 H HB2  . LYS   A 109 ? 0.224603  0.482506  0.283678  0.0433328   0.00602109  -0.0453185  121 LYS   A HB2  
1673 H HB3  . LYS   A 109 ? 0.228106  0.479158  0.297916  0.0439131   0.0149152   -0.0437203  121 LYS   A HB3  
1674 H HG2  . LYS   A 109 ? 0.272007  0.480547  0.362671  0.0649846   0.00809684  -0.0276588  121 LYS   A HG2  
1675 H HG3  . LYS   A 109 ? 0.271094  0.481119  0.367168  0.0664862   0.0107383   -0.0276754  121 LYS   A HG3  
1676 H HD2  . LYS   A 109 ? 0.322022  0.45862   0.418398  0.0991097   -0.00064274 -0.00114944 121 LYS   A HD2  
1677 H HD3  . LYS   A 109 ? 0.32913   0.461411  0.423923  0.0955402   0.00152519  -0.00107575 121 LYS   A HD3  
1678 H HE2  . LYS   A 109 ? 0.386992  0.43453   0.430623  0.108486    -0.014626   0.0215211   121 LYS   A HE2  
1679 H HE3  . LYS   A 109 ? 0.380423  0.432484  0.431634  0.111254    -0.0141867  0.0217999   121 LYS   A HE3  
1680 H HZ1  . LYS   A 109 ? 0.388459  0.410533  0.420477  0.131529    -0.02741    0.0225257   121 LYS   A HZ1  
1681 H HZ2  . LYS   A 109 ? 0.38011   0.407936  0.422626  0.135913    -0.0275625  0.0232319   121 LYS   A HZ2  
1682 H HZ3  . LYS   A 109 ? 0.390985  0.410664  0.424094  0.132864    -0.0283958  0.0220363   121 LYS   A HZ3  
1683 N N    . ILE   A 110 ? 0.122169  0.5047    0.291717  0.0157645   0.0556812   -0.0227171  122 ILE   A N    
1684 C CA   . ILE   A 110 ? 0.133191  0.527624  0.261357  0.0115125   0.037059    0.0121998   122 ILE   A CA   
1685 C C    . ILE   A 110 ? 0.165517  0.485118  0.258968  0.0036756   0.0765242   0.0101321   122 ILE   A C    
1686 O O    . ILE   A 110 ? 0.145959  0.463648  0.329081  0.00319393  0.0575674   0.016872    122 ILE   A O    
1687 C CB   . ILE   A 110 ? 0.140276  0.499576  0.224234  0.00283929  0.0295811   0.0439827   122 ILE   A CB   
1688 C CG1  . ILE   A 110 ? 0.138065  0.508287  0.231322  0.00944213  0.00070709  0.0649697   122 ILE   A CG1  
1689 C CG2  . ILE   A 110 ? 0.111686  0.514164  0.244594  -0.0118076  0.0424201   0.0447266   122 ILE   A CG2  
1690 C CD1  . ILE   A 110 ? 0.130062  0.50397   0.210019  0.0259107   0.0653118   0.0489437   122 ILE   A CD1  
1691 H H    . ILE   A 110 ? 0.161693  0.497174  0.299442  0.0209232   0.0501377   -0.00521619 122 ILE   A H    
1692 H HA   . ILE   A 110 ? 0.17056   0.493128  0.275714  0.0157329   0.0496629   0.015804    122 ILE   A HA   
1693 H HB   . ILE   A 110 ? 0.163669  0.486777  0.250055  0.0112918   0.0370803   0.0496854   122 ILE   A HB   
1694 H HG12 . ILE   A 110 ? 0.16793   0.483454  0.231313  0.0177689   0.0261893   0.0542737   122 ILE   A HG12 
1695 H HG13 . ILE   A 110 ? 0.16796   0.486661  0.240722  0.018898    0.0300861   0.0580795   122 ILE   A HG13 
1696 H HG21 . ILE   A 110 ? 0.149674  0.486397  0.253871  0.00241827  0.0476125   0.0497447   122 ILE   A HG21 
1697 H HG22 . ILE   A 110 ? 0.150704  0.490707  0.25613   0.00305628  0.047299    0.0493143   122 ILE   A HG22 
1698 H HG23 . ILE   A 110 ? 0.133705  0.486794  0.255524  -0.00281217 0.0503192   0.0504015   122 ILE   A HG23 
1699 H HD11 . ILE   A 110 ? 0.15903   0.48084   0.225714  0.0268589   0.049448    0.0528758   122 ILE   A HD11 
1700 H HD12 . ILE   A 110 ? 0.146823  0.481946  0.23281   0.0265032   0.0521696   0.055396    122 ILE   A HD12 
1701 H HD13 . ILE   A 110 ? 0.158029  0.47789   0.232237  0.0301484   0.0526384   0.0540739   122 ILE   A HD13 
1702 N N    . PRO   A 111 ? 0.173578  0.47139   0.214939  -0.010104   0.0577044   -0.0230335  123 PRO   A N    
1703 C CA   . PRO   A 111 ? 0.170495  0.539295  0.230604  0.0279055   0.0963636   -0.0537893  123 PRO   A CA   
1704 C C    . PRO   A 111 ? 0.165163  0.532008  0.256292  0.0235457   0.110637    -0.0627279  123 PRO   A C    
1705 O O    . PRO   A 111 ? 0.128576  0.540697  0.247364  0.0317563   0.0787121   -0.0805641  123 PRO   A O    
1706 C CB   . PRO   A 111 ? 0.250728  0.533055  0.210747  0.0102799   0.0494959   -0.0206123  123 PRO   A CB   
1707 C CG   . PRO   A 111 ? 0.243464  0.504243  0.23001   0.0260348   0.04684     -0.00839521 123 PRO   A CG   
1708 C CD   . PRO   A 111 ? 0.250196  0.483382  0.225608  0.0123561   0.0153356   -0.0204923  123 PRO   A CD   
1709 H HA   . PRO   A 111 ? 0.206144  0.502938  0.239805  0.0204943   0.0821069   -0.029388   123 PRO   A HA   
1710 H HB2  . PRO   A 111 ? 0.243427  0.506876  0.240879  0.0189408   0.0562881   -0.017433   123 PRO   A HB2  
1711 H HB3  . PRO   A 111 ? 0.248154  0.509085  0.241913  0.0211796   0.0588375   -0.0155181  123 PRO   A HB3  
1712 H HG2  . PRO   A 111 ? 0.261416  0.48629   0.24279   0.0217331   0.0410194   -0.00770383 123 PRO   A HG2  
1713 H HG3  . PRO   A 111 ? 0.26123   0.481736  0.243457  0.0224837   0.0412243   -0.00712684 123 PRO   A HG3  
1714 H HD2  . PRO   A 111 ? 0.245976  0.468672  0.247043  0.0104488   0.0303994   -0.00940062 123 PRO   A HD2  
1715 H HD3  . PRO   A 111 ? 0.242914  0.462414  0.24202   0.00948331  0.032484    -0.0133376  123 PRO   A HD3  
1716 N N    . SER   A 112 ? 0.221191  0.585676  0.262128  -0.0157846  0.0891037   -0.0412221  124 SER   A N    
1717 C CA   . SER   A 112 ? 0.221856  0.598779  0.28545   -0.0251855  0.115097    -0.0158195  124 SER   A CA   
1718 C C    . SER   A 112 ? 0.163229  0.51298   0.281643  -0.00898961 0.065542    0.0285947   124 SER   A C    
1719 O O    . SER   A 112 ? 0.0870263 0.484251  0.357298  -0.00646112 0.0159722   0.00470826  124 SER   A O    
1720 C CB   . SER   A 112 ? 0.212913  0.647744  0.336264  -0.0760685  0.0901308   0.0197864   124 SER   A CB   
1721 O OG   . SER   A 112 ? 0.1331    0.815206  0.42226   -0.115707   0.204983    0.0566339   124 SER   A OG   
1722 H H    . SER   A 112 ? 0.233315  0.556944  0.288615  -0.00195405 0.0931741   -0.0245499  124 SER   A H    
1723 H HA   . SER   A 112 ? 0.234661  0.568557  0.308055  -0.0203043  0.092613    0.00165879  124 SER   A HA   
1724 H HB2  . SER   A 112 ? 0.216543  0.639026  0.344626  -0.05608    0.124373    0.027271    124 SER   A HB2  
1725 H HB3  . SER   A 112 ? 0.214203  0.635685  0.349992  -0.0535381  0.12397     0.0287928   124 SER   A HB3  
1726 H HG   . SER   A 112 ? 0.429222  0.429222  0.429222  0           0           0           124 SER   A HG   
1727 N N    . ASN   A 113 ? 0.0682697 0.490667  0.253923  -0.0614524  0.114895    0.00678369  125 ASN   A N    
1728 C CA   . ASN   A 113 ? 0.115809  0.466488  0.284426  -0.0334713  0.058541    0.0149528   125 ASN   A CA   
1729 C C    . ASN   A 113 ? 0.0786715 0.437433  0.255853  0.0061993   0.0807388   -0.00516848 125 ASN   A C    
1730 O O    . ASN   A 113 ? 0.113535  0.448042  0.245052  -0.0198355  0.0378872   -0.0313204  125 ASN   A O    
1731 C CB   . ASN   A 113 ? 0.142216  0.499875  0.303681  -0.00469717 0.049948    -0.0357172  125 ASN   A CB   
1732 C CG   . ASN   A 113 ? 0.16352   0.483687  0.328425  -0.0477751  0.0180923   -0.0284541  125 ASN   A CG   
1733 O OD1  . ASN   A 113 ? 0.220345  0.600871  0.358551  -0.115321   0.0261348   -0.0482029  125 ASN   A OD1  
1734 N ND2  . ASN   A 113 ? 0.193081  0.490861  0.312138  -0.0138588  0.0125847   -0.00521943 125 ASN   A ND2  
1735 H H    . ASN   A 113 ? 0.115049  0.47341   0.273811  -0.0309536  0.0990381   0.0212644   125 ASN   A H    
1736 H HA   . ASN   A 113 ? 0.130581  0.458236  0.284998  -0.0162169  0.0751598   0.00953302  125 ASN   A HA   
1737 H HB2  . ASN   A 113 ? 0.167686  0.467998  0.310785  -0.00766762 0.049537    -0.0152127  125 ASN   A HB2  
1738 H HB3  . ASN   A 113 ? 0.168999  0.471987  0.309027  -0.010397   0.0477877   -0.0125463  125 ASN   A HB3  
1739 H HD21 . ASN   A 113 ? 0.207272  0.472176  0.324438  -0.0163934  0.019368    -0.00466492 125 ASN   A HD21 
1740 H HD22 . ASN   A 113 ? 0.208002  0.473427  0.324094  -0.0157898  0.0193318   -0.00502391 125 ASN   A HD22 
1741 N N    . ALA   A 114 ? 0.107438  0.3941    0.298598  0.0226694   0.0176083   0.00868088  126 ALA   A N    
1742 C CA   . ALA   A 114 ? 0.0888125 0.38547   0.253859  0.0211505   0.0411682   -0.00351201 126 ALA   A CA   
1743 C C    . ALA   A 114 ? 0.0694209 0.338306  0.232676  0.00033394  0.0573472   0.0105375   126 ALA   A C    
1744 O O    . ALA   A 114 ? 0.153416  0.347624  0.226619  0.0149501   0.0269933   0.00556952  126 ALA   A O    
1745 C CB   . ALA   A 114 ? 0.160935  0.397237  0.248588  0.0075035   0.0306329   -0.0303004  126 ALA   A CB   
1746 H H    . ALA   A 114 ? 0.122547  0.39088   0.277918  0.0227397   0.0393519   0.0108504   126 ALA   A H    
1747 H HA   . ALA   A 114 ? 0.121774  0.3659    0.258878  0.0196757   0.0395574   0.0037917   126 ALA   A HA   
1748 H HB1  . ALA   A 114 ? 0.160155  0.383709  0.257267  0.0138824   0.0353537   -0.0150408  126 ALA   A HB1  
1749 H HB2  . ALA   A 114 ? 0.163057  0.386458  0.258006  0.0110668   0.0367333   -0.0164195  126 ALA   A HB2  
1750 H HB3  . ALA   A 114 ? 0.160453  0.384939  0.257884  0.0148117   0.0347725   -0.0158523  126 ALA   A HB3  
1751 N N    . THR   A 115 ? 0.0937816 0.330271  0.239192  0.0243909   0.020582    0.00778483  127 THR   A N    
1752 C CA   . THR   A 115 ? 0.119567  0.307872  0.242113  0.015423    0.0164126   -0.00245221 127 THR   A CA   
1753 C C    . THR   A 115 ? 0.135596  0.277083  0.230286  0.026586    -0.0173288  -0.0288252  127 THR   A C    
1754 O O    . THR   A 115 ? 0.101431  0.307825  0.256048  0.0159544   0.0144478   -0.0296331  127 THR   A O    
1755 C CB   . THR   A 115 ? 0.171918  0.300251  0.281947  -0.0200355  -0.0363358  0.00448315  127 THR   A CB   
1756 O OG1  . THR   A 115 ? 0.24755   0.310844  0.325115  -0.0529847  -0.0806036  0.0141842   127 THR   A OG1  
1757 C CG2  . THR   A 115 ? 0.147427  0.299505  0.271128  -0.015673   -0.0463445  0.0121135   127 THR   A CG2  
1758 H H    . THR   A 115 ? 0.110158  0.316251  0.240723  0.0217259   0.0294558   0.00987693  127 THR   A H    
1759 H HA   . THR   A 115 ? 0.141545  0.295965  0.244375  0.0137512   0.00560971  -0.00157707 127 THR   A HA   
1760 H HB   . THR   A 115 ? 0.180711  0.298823  0.277206  -0.0137694  -0.0278475  0.00656217  127 THR   A HB   
1761 H HG1  . THR   A 115 ? 0.290538  0.290538  0.290538  0           0           0           127 THR   A HG1  
1762 H HG21 . THR   A 115 ? 0.164467  0.292459  0.266931  -0.0125485  -0.0378002  0.011045    127 THR   A HG21 
1763 H HG22 . THR   A 115 ? 0.165826  0.291627  0.270038  -0.0127993  -0.0353407  0.0102894   127 THR   A HG22 
1764 H HG23 . THR   A 115 ? 0.16506   0.290825  0.270303  -0.0141522  -0.0357018  0.0099234   127 THR   A HG23 
1765 N N    . LEU   A 116 ? 0.129096  0.264807  0.193909  0.0162108   0.00032632  -0.0312159  128 LEU   A N    
1766 C CA   . LEU   A 116 ? 0.144374  0.247208  0.191673  0.0113907   -0.00952965 -0.0158177  128 LEU   A CA   
1767 C C    . LEU   A 116 ? 0.148916  0.232559  0.200351  0.00719061  -0.00553075 -0.0218261  128 LEU   A C    
1768 O O    . LEU   A 116 ? 0.139725  0.24702   0.19879   0.0270662   0.0209874   -0.0218553  128 LEU   A O    
1769 C CB   . LEU   A 116 ? 0.130368  0.285455  0.204959  -0.00472342 -0.023404   -0.00359075 128 LEU   A CB   
1770 C CG   . LEU   A 116 ? 0.208135  0.348569  0.227308  0.0258595   -0.0299444  0.0160795   128 LEU   A CG   
1771 C CD1  . LEU   A 116 ? 0.183428  0.377321  0.266441  0.0284321   -0.0192781  0.0302498   128 LEU   A CD1  
1772 C CD2  . LEU   A 116 ? 0.195097  0.367525  0.26875   0.0452001   -0.0135074  0.0313916   128 LEU   A CD2  
1773 H H    . LEU   A 116 ? 0.142593  0.254246  0.20219   0.0165817   -0.00267998 -0.0225063  128 LEU   A H    
1774 H HA   . LEU   A 116 ? 0.147129  0.245506  0.196836  0.00940438  -0.00556524 -0.015633   128 LEU   A HA   
1775 H HB2  . LEU   A 116 ? 0.153491  0.275579  0.207031  0.00429169  -0.0158283  -0.00092701 128 LEU   A HB2  
1776 H HB3  . LEU   A 116 ? 0.147819  0.271001  0.207005  -0.00028836 -0.0165291  -0.00180416 128 LEU   A HB3  
1777 H HG   . LEU   A 116 ? 0.193305  0.333886  0.239085  0.0233154   -0.0172037  0.0165842   128 LEU   A HG   
1778 H HD11 . LEU   A 116 ? 0.203683  0.359668  0.259747  0.0248567   -0.0163612  0.0245856   128 LEU   A HD11 
1779 H HD12 . LEU   A 116 ? 0.202456  0.358892  0.261244  0.0255494   -0.0158557  0.0233307   128 LEU   A HD12 
1780 H HD13 . LEU   A 116 ? 0.20306   0.358319  0.259284  0.025412    -0.0159897  0.0240042   128 LEU   A HD13 
1781 H HD21 . LEU   A 116 ? 0.208341  0.349853  0.258715  0.03515     -0.0135722  0.0230678   128 LEU   A HD21 
1782 H HD22 . LEU   A 116 ? 0.211688  0.353288  0.260102  0.0356141   -0.0134282  0.0237818   128 LEU   A HD22 
1783 H HD23 . LEU   A 116 ? 0.210446  0.352472  0.26252   0.0355937   -0.0141211  0.0230453   128 LEU   A HD23 
1784 N N    . PHE   A 117 ? 0.149507  0.210115  0.188063  0.015853    0.00544906  -0.0436517  129 PHE   A N    
1785 C CA   . PHE   A 117 ? 0.164867  0.207856  0.171246  0.00596217  -0.00579536 -0.03196    129 PHE   A CA   
1786 C C    . PHE   A 117 ? 0.152651  0.205858  0.189301  0.02479     0.0017702   -0.0420765  129 PHE   A C    
1787 O O    . PHE   A 117 ? 0.156904  0.223482  0.23459   0.0248454   -0.0423172  -0.0678087  129 PHE   A O    
1788 C CB   . PHE   A 117 ? 0.134719  0.212701  0.18905   0.0264314   0.00794109  -0.0330682  129 PHE   A CB   
1789 C CG   . PHE   A 117 ? 0.15011   0.221669  0.214173  0.0121111   0.0172369   -0.00627831 129 PHE   A CG   
1790 C CD1  . PHE   A 117 ? 0.157077  0.253076  0.235503  0.00839496  0.0208218   0.00819463  129 PHE   A CD1  
1791 C CD2  . PHE   A 117 ? 0.203041  0.226078  0.231408  -0.00229849 0.0256772   -5.136e-05  129 PHE   A CD2  
1792 C CE1  . PHE   A 117 ? 0.184752  0.262161  0.238271  0.00539765  0.0277961   0.00901999  129 PHE   A CE1  
1793 C CE2  . PHE   A 117 ? 0.230625  0.212174  0.234119  -0.0015879  0.0184541   0.0142747   129 PHE   A CE2  
1794 C CZ   . PHE   A 117 ? 0.211886  0.236413  0.2278    0.00050693  0.019745    0.0165225   129 PHE   A CZ   
1795 H H    . PHE   A 117 ? 0.156423  0.20836   0.183015  0.010578    0.00169659  -0.0338672  129 PHE   A H    
1796 H HA   . PHE   A 117 ? 0.156941  0.205608  0.180351  0.0131604   0.00134975  -0.0310459  129 PHE   A HA   
1797 H HB2  . PHE   A 117 ? 0.146295  0.20869   0.187428  0.0156833   0.0056633   -0.0236058  129 PHE   A HB2  
1798 H HB3  . PHE   A 117 ? 0.148925  0.206919  0.186377  0.0165021   0.00674097  -0.0248985  129 PHE   A HB3  
1799 H HD1  . PHE   A 117 ? 0.168908  0.242801  0.228522  0.00786716  0.0195362   0.00459604  129 PHE   A HD1  
1800 H HD2  . PHE   A 117 ? 0.197171  0.223047  0.227291  0.0015209   0.0196408   0.00200227  129 PHE   A HD2  
1801 H HE1  . PHE   A 117 ? 0.190306  0.251052  0.235196  0.004595    0.0218284   0.00983894  129 PHE   A HE1  
1802 H HE2  . PHE   A 117 ? 0.2191    0.223347  0.230731  -0.000691   0.0183601   0.00963025  129 PHE   A HE2  
1803 H HZ   . PHE   A 117 ? 0.210282  0.234238  0.228965  0.00097993  0.0188328   0.0123864   129 PHE   A HZ   
1804 N N    . PHE   A 118 ? 0.135961  0.212133  0.148613  0.0260829   -0.0145729  -0.037963   130 PHE   A N    
1805 C CA   . PHE   A 118 ? 0.116626  0.196211  0.13454   0.0201664   0.027665    -0.0202809  130 PHE   A CA   
1806 C C    . PHE   A 118 ? 0.120111  0.192472  0.138948  0.0246341   0.0250662   -0.0156955  130 PHE   A C    
1807 O O    . PHE   A 118 ? 0.0987568 0.208584  0.155766  0.00259871  0.0160495   -0.00821721 130 PHE   A O    
1808 C CB   . PHE   A 118 ? 0.0912936 0.191618  0.133534  0.0283011   0.0381297   -0.0261106  130 PHE   A CB   
1809 C CG   . PHE   A 118 ? 0.0814008 0.203802  0.133259  0.0260403   0.0331634   -0.0255215  130 PHE   A CG   
1810 C CD1  . PHE   A 118 ? 0.120764  0.214571  0.136032  0.00759664  0.0500817   -0.0296544  130 PHE   A CD1  
1811 C CD2  . PHE   A 118 ? 0.0750596 0.20667   0.148014  0.0309016   0.0407138   -0.0402423  130 PHE   A CD2  
1812 C CE1  . PHE   A 118 ? 0.0833013 0.225458  0.157745  0.00702821  0.0528583   -0.0151761  130 PHE   A CE1  
1813 C CE2  . PHE   A 118 ? 0.0983391 0.236411  0.162006  0.00129071  0.0409738   -0.0239288  130 PHE   A CE2  
1814 C CZ   . PHE   A 118 ? 0.0978497 0.237352  0.158069  0.00809583  0.0706479   -0.0287943  130 PHE   A CZ   
1815 H H    . PHE   A 118 ? 0.139003  0.200311  0.153581  0.0205867   0.00017869  -0.0316719  130 PHE   A H    
1816 H HA   . PHE   A 118 ? 0.120706  0.192857  0.140354  0.0211719   0.0202601   -0.0204303  130 PHE   A HA   
1817 H HB2  . PHE   A 118 ? 0.100546  0.187694  0.13406   0.0231634   0.0319341   -0.0217328  130 PHE   A HB2  
1818 H HB3  . PHE   A 118 ? 0.0987866 0.189222  0.134742  0.0227318   0.0319945   -0.0207442  130 PHE   A HB3  
1819 H HD1  . PHE   A 118 ? 0.109575  0.208587  0.142732  0.0111523   0.0413654   -0.0215835  130 PHE   A HD1  
1820 H HD2  . PHE   A 118 ? 0.090837  0.20559   0.147721  0.0215492   0.0370302   -0.0268061  130 PHE   A HD2  
1821 H HE1  . PHE   A 118 ? 0.101382  0.215813  0.153732  0.00534463  0.051989    -0.0168265  130 PHE   A HE1  
1822 H HE2  . PHE   A 118 ? 0.102604  0.222082  0.157941  0.010376    0.043256    -0.0241737  130 PHE   A HE2  
1823 H HZ   . PHE   A 118 ? 0.104395  0.227464  0.157901  0.00748741  0.0548862   -0.0186177  130 PHE   A HZ   
1824 N N    . GLU   A 119 ? 0.131433  0.193431  0.152556  0.0340748   0.0150128   -0.0173374  131 GLU   A N    
1825 C CA   . GLU   A 119 ? 0.123149  0.180037  0.14931   0.0411923   0.0188482   -0.017171   131 GLU   A CA   
1826 C C    . GLU   A 119 ? 0.125193  0.176404  0.151217  0.0334373   0.00900494  -0.0210257  131 GLU   A C    
1827 O O    . GLU   A 119 ? 0.124476  0.212386  0.182116  0.0634183   -0.00386084 -0.040407   131 GLU   A O    
1828 C CB   . GLU   A 119 ? 0.15839   0.187379  0.171785  0.0355499   0.0245877   -0.0162646  131 GLU   A CB   
1829 C CG   . GLU   A 119 ? 0.161201  0.166991  0.166899  0.0214933   0.0281002   -0.0100341  131 GLU   A CG   
1830 C CD   . GLU   A 119 ? 0.187001  0.173011  0.185121  0.0138225   0.00283811  -0.0175316  131 GLU   A CD   
1831 O OE1  . GLU   A 119 ? 0.168694  0.176673  0.177504  -0.00652118 0.00413441  -0.0111185  131 GLU   A OE1  
1832 O OE2  . GLU   A 119 ? 0.191126  0.169679  0.237937  -0.0149477  -0.0206432  -0.0123969  131 GLU   A OE2  
1833 H H    . GLU   A 119 ? 0.13018   0.187946  0.150831  0.0289572   0.0171578   -0.013649   131 GLU   A H    
1834 H HA   . GLU   A 119 ? 0.132517  0.179043  0.152242  0.031812    0.0154615   -0.0154373  131 GLU   A HA   
1835 H HB2  . GLU   A 119 ? 0.155115  0.181128  0.16684   0.0283756   0.0231516   -0.0132245  131 GLU   A HB2  
1836 H HB3  . GLU   A 119 ? 0.152838  0.181674  0.167498  0.0291824   0.0220236   -0.0117198  131 GLU   A HB3  
1837 H HG2  . GLU   A 119 ? 0.165364  0.172557  0.170416  0.0200814   0.0198805   -0.0113681  131 GLU   A HG2  
1838 H HG3  . GLU   A 119 ? 0.165482  0.172232  0.169879  0.0200437   0.019929    -0.0117252  131 GLU   A HG3  
1839 N N    . ILE   A 120 ? 0.139655  0.153035  0.150394  0.0400348   -0.0017615  -0.0219327  132 ILE   A N    
1840 C CA   . ILE   A 120 ? 0.0986974 0.141977  0.138311  0.0317609   0.0295447   -0.0147365  132 ILE   A CA   
1841 C C    . ILE   A 120 ? 0.124323  0.140754  0.134662  0.0148795   0.0324082   0.00538737  132 ILE   A C    
1842 O O    . ILE   A 120 ? 0.082447  0.159981  0.147445  0.00497269  0.0258061   -0.0110173  132 ILE   A O    
1843 C CB   . ILE   A 120 ? 0.0997539 0.153365  0.149883  0.0261002   0.0420612   -0.0153071  132 ILE   A CB   
1844 C CG1  . ILE   A 120 ? 0.115468  0.175935  0.158969  0.030552    0.056798    -0.0192006  132 ILE   A CG1  
1845 C CG2  . ILE   A 120 ? 0.139539  0.150429  0.163081  0.0301688   0.0151539   -0.00575016 132 ILE   A CG2  
1846 C CD1  . ILE   A 120 ? 0.123291  0.187842  0.148409  0.0296855   0.0747135   -0.0205577  132 ILE   A CD1  
1847 H H    . ILE   A 120 ? 0.12776   0.155111  0.14619   0.0314702   0.00823333  -0.017363   132 ILE   A H    
1848 H HA   . ILE   A 120 ? 0.112446  0.14414   0.138265  0.0251445   0.023625    -0.0114882  132 ILE   A HA   
1849 H HB   . ILE   A 120 ? 0.111587  0.152435  0.147871  0.0252154   0.0334001   -0.0123156  132 ILE   A HB   
1850 H HG12 . ILE   A 120 ? 0.117258  0.171281  0.154927  0.0259656   0.0510402   -0.0152677  132 ILE   A HG12 
1851 H HG13 . ILE   A 120 ? 0.11804   0.171038  0.154201  0.0256204   0.0507686   -0.0159965  132 ILE   A HG13 
1852 H HG21 . ILE   A 120 ? 0.130313  0.152607  0.158161  0.0253199   0.0211993   -0.00740834 132 ILE   A HG21 
1853 H HG22 . ILE   A 120 ? 0.130409  0.152834  0.158702  0.0254681   0.0208911   -0.00709945 132 ILE   A HG22 
1854 H HG23 . ILE   A 120 ? 0.134333  0.152626  0.161416  0.0255134   0.0170904   -0.00752549 132 ILE   A HG23 
1855 H HD11 . ILE   A 120 ? 0.123784  0.181296  0.150865  0.026143    0.0623008   -0.0175839  132 ILE   A HD11 
1856 H HD12 . ILE   A 120 ? 0.11961   0.181347  0.14888   0.0257827   0.0648171   -0.0171474  132 ILE   A HD12 
1857 H HD13 . ILE   A 120 ? 0.125162  0.181413  0.151718  0.0255041   0.0626002   -0.0177554  132 ILE   A HD13 
1858 N N    . GLU   A 121 ? 0.145705  0.145682  0.137931  0.0020393   0.035109    0.0126681   133 GLU   A N    
1859 C CA   . GLU   A 121 ? 0.143669  0.167012  0.15684   0.018168    0.030312    0.00800399  133 GLU   A CA   
1860 C C    . GLU   A 121 ? 0.143835  0.144232  0.140723  0.0103884   0.0324395   0.0220174   133 GLU   A C    
1861 O O    . GLU   A 121 ? 0.122411  0.164198  0.153218  0.0396827   0.033318    -0.00564193 133 GLU   A O    
1862 C CB   . GLU   A 121 ? 0.167079  0.158671  0.178426  0.00925402  0.0153419   0.0265088   133 GLU   A CB   
1863 C CG   . GLU   A 121 ? 0.187231  0.174042  0.208832  0.00564794  0.0293487   0.00883687  133 GLU   A CG   
1864 C CD   . GLU   A 121 ? 0.212185  0.20988   0.290266  -0.02042    0.0411816   -0.00072007 133 GLU   A CD   
1865 O OE1  . GLU   A 121 ? 0.259333  0.207562  0.397666  -0.0270415  0.00699852  -0.0280321  133 GLU   A OE1  
1866 O OE2  . GLU   A 121 ? 0.253526  0.250707  0.353426  -0.0752727  0.0687767   0.0572962   133 GLU   A OE2  
1867 H H    . GLU   A 121 ? 0.138722  0.148761  0.140574  0.00786679  0.0296936   0.00797487  133 GLU   A H    
1868 H HA   . GLU   A 121 ? 0.147119  0.15766   0.152905  0.0100693   0.0267146   0.0131916   133 GLU   A HA   
1869 H HB2  . GLU   A 121 ? 0.163098  0.163443  0.176271  0.010957    0.0183505   0.0173926   133 GLU   A HB2  
1870 H HB3  . GLU   A 121 ? 0.164487  0.165231  0.17792   0.00961782  0.019538    0.0163411   133 GLU   A HB3  
1871 H HG2  . GLU   A 121 ? 0.185133  0.178503  0.209626  0.00195699  0.024892    0.0104126   133 GLU   A HG2  
1872 H HG3  . GLU   A 121 ? 0.185475  0.178449  0.208032  0.00168147  0.0247847   0.00937277  133 GLU   A HG3  
1873 N N    . LEU   A 122 ? 0.114947  0.172129  0.101967  0.00644652  0.060075    0.0279356   134 LEU   A N    
1874 C CA   . LEU   A 122 ? 0.129921  0.162025  0.147225  0.00501997  0.0582531   0.0201919   134 LEU   A CA   
1875 C C    . LEU   A 122 ? 0.127422  0.191627  0.16694   -0.0151688  0.0643052   0.0179752   134 LEU   A C    
1876 O O    . LEU   A 122 ? 0.174129  0.238316  0.178274  0.00613584  0.0456862   0.038787    134 LEU   A O    
1877 C CB   . LEU   A 122 ? 0.140667  0.142806  0.138291  -0.00477844 0.0508482   0.0229743   134 LEU   A CB   
1878 C CG   . LEU   A 122 ? 0.118846  0.15488   0.153278  -0.00021965 0.0567254   0.0167535   134 LEU   A CG   
1879 C CD1  . LEU   A 122 ? 0.131166  0.145982  0.152407  -0.00059089 0.0490124   0.0179957   134 LEU   A CD1  
1880 C CD2  . LEU   A 122 ? 0.134388  0.173684  0.18395   0.00198773  0.0509684   0.0188728   134 LEU   A CD2  
1881 H H    . LEU   A 122 ? 0.124434  0.159858  0.116394  0.00599286  0.0451042   0.0211985   134 LEU   A H    
1882 H HA   . LEU   A 122 ? 0.129463  0.163973  0.14375   0.00026902  0.0512513   0.0186653   134 LEU   A HA   
1883 H HB2  . LEU   A 122 ? 0.13541   0.149603  0.142557  -0.00078925 0.047306    0.0181921   134 LEU   A HB2  
1884 H HB3  . LEU   A 122 ? 0.133785  0.149415  0.140288  -0.00132294 0.0478503   0.0185078   134 LEU   A HB3  
1885 H HG   . LEU   A 122 ? 0.123401  0.152987  0.152816  -0.00232595 0.0484891   0.0166032   134 LEU   A HG   
1886 H HD11 . LEU   A 122 ? 0.128778  0.148543  0.151054  -0.00045713 0.0456418   0.014988    134 LEU   A HD11 
1887 H HD12 . LEU   A 122 ? 0.128684  0.148864  0.151271  -0.00016763 0.0455839   0.0153905   134 LEU   A HD12 
1888 H HD13 . LEU   A 122 ? 0.129952  0.149135  0.151356  -5.925e-05  0.0454327   0.0152587   134 LEU   A HD13 
1889 H HD21 . LEU   A 122 ? 0.133687  0.168898  0.177368  0.00132273  0.046629    0.015187    134 LEU   A HD21 
1890 H HD22 . LEU   A 122 ? 0.135476  0.16873   0.173605  0.00169377  0.0464951   0.0156353   134 LEU   A HD22 
1891 H HD23 . LEU   A 122 ? 0.13448   0.169829  0.1739    0.00071258  0.0470294   0.0152728   134 LEU   A HD23 
1892 N N    . LEU   A 123 ? 0.111142  0.200523  0.130432  1.912e-05   0.110069    0.0173879   135 LEU   A N    
1893 C CA   . LEU   A 123 ? 0.127433  0.220108  0.172496  -0.0239984  0.0792662   0.0172477   135 LEU   A CA   
1894 C C    . LEU   A 123 ? 0.113852  0.243287  0.138488  -0.0157094  0.118508    0.00166466  135 LEU   A C    
1895 O O    . LEU   A 123 ? 0.0877254 0.299433  0.19446   0.00726076  0.123735    0.00840156  135 LEU   A O    
1896 C CB   . LEU   A 123 ? 0.194267  0.213343  0.209429  -0.0166803  0.0538786   -0.00346459 135 LEU   A CB   
1897 C CG   . LEU   A 123 ? 0.245667  0.215717  0.226276  -0.00041385 0.0230099   -0.0187483  135 LEU   A CG   
1898 C CD1  . LEU   A 123 ? 0.280399  0.2277    0.261018  0.0124212   -0.0117933  -0.0290712  135 LEU   A CD1  
1899 C CD2  . LEU   A 123 ? 0.258863  0.25267   0.271234  -0.0115669  -0.0114896  -0.0159728  135 LEU   A CD2  
1900 H H    . LEU   A 123 ? 0.118437  0.196187  0.124687  -0.008425   0.091823    0.0187855   135 LEU   A H    
1901 H HA   . LEU   A 123 ? 0.136199  0.215432  0.164549  -0.0137864  0.0807053   0.00979574  135 LEU   A HA   
1902 H HB2  . LEU   A 123 ? 0.187864  0.216483  0.204408  -0.0135894  0.0490099   -0.00260102 135 LEU   A HB2  
1903 H HB3  . LEU   A 123 ? 0.190378  0.216225  0.203702  -0.0129841  0.0482033   -0.00161394 135 LEU   A HB3  
1904 H HG   . LEU   A 123 ? 0.240504  0.224899  0.233058  -0.00257412 0.0184906   -0.0142456  135 LEU   A HG   
1905 H HD11 . LEU   A 123 ? 0.267889  0.233124  0.253678  0.00679994  0.00062157  -0.0249323  135 LEU   A HD11 
1906 H HD12 . LEU   A 123 ? 0.268876  0.231211  0.251899  0.00582899  0.00071166  -0.0225904  135 LEU   A HD12 
1907 H HD13 . LEU   A 123 ? 0.271322  0.230776  0.251686  0.0080531   0.00116674  -0.0226336  135 LEU   A HD13 
1908 H HD21 . LEU   A 123 ? 0.254157  0.24555   0.259566  -0.00759859 0.00308516  -0.0121701  135 LEU   A HD21 
1909 H HD22 . LEU   A 123 ? 0.256441  0.245226  0.257287  -0.00733345 0.00165699  -0.013964   135 LEU   A HD22 
1910 H HD23 . LEU   A 123 ? 0.258009  0.248305  0.257689  -0.0105021  0.00079721  -0.013355   135 LEU   A HD23 
1911 N N    . ASP   A 124 ? 0.0906247 0.226432  0.147176  -0.0108185  0.0699344   -0.00021156 136 ASP   A N    
1912 C CA   . ASP   A 124 ? 0.134599  0.225292  0.194901  -0.0112398  0.0611882   -0.0113927  136 ASP   A CA   
1913 C C    . ASP   A 124 ? 0.108386  0.216289  0.158919  -0.00714967 0.0576556   -0.0102608  136 ASP   A C    
1914 O O    . ASP   A 124 ? 0.104667  0.206358  0.155224  -0.018412   0.0688508   0.00483824  136 ASP   A O    
1915 C CB   . ASP   A 124 ? 0.153484  0.277703  0.236389  -0.0140348  0.0557048   0.00042804  136 ASP   A CB   
1916 C CG   . ASP   A 124 ? 0.143489  0.302402  0.315307  -0.0190085  0.0297994   -0.0156685  136 ASP   A CG   
1917 O OD1  . ASP   A 124 ? 0.125258  0.319582  0.286082  -0.0316042  0.0881584   -0.00098012 136 ASP   A OD1  
1918 O OD2  . ASP   A 124 ? 0.168977  0.338759  0.429905  -0.0133105  0.0343348   -0.0728089  136 ASP   A OD2  
1919 H H    . ASP   A 124 ? 0.105642  0.222156  0.151184  -0.00988917 0.076793    0.00060593  136 ASP   A H    
1920 H HA   . ASP   A 124 ? 0.129289  0.227342  0.186581  -0.00865661 0.0558994   -0.00381295 136 ASP   A HA   
1921 H HB2  . ASP   A 124 ? 0.155916  0.265712  0.236776  -0.011107   0.0486438   -0.00454156 136 ASP   A HB2  
1922 H HB3  . ASP   A 124 ? 0.156134  0.263456  0.234903  -0.0114592  0.0482375   -0.00406666 136 ASP   A HB3  
1923 N N    . PHE   A 125 ? 0.125661  0.217533  0.202512  0.0172608   0.0530196   -0.00940669 137 PHE   A N    
1924 C CA   . PHE   A 125 ? 0.122006  0.213776  0.207238  0.0432838   0.0402584   -0.015565   137 PHE   A CA   
1925 C C    . PHE   A 125 ? 0.133807  0.221098  0.225472  0.0623441   0.0451462   -0.0310409  137 PHE   A C    
1926 O O    . PHE   A 125 ? 0.182788  0.282751  0.212702  0.0493191   0.0714884   -0.0350097  137 PHE   A O    
1927 C CB   . PHE   A 125 ? 0.156463  0.2324    0.193845  0.0378645   0.0358363   -0.0353518  137 PHE   A CB   
1928 C CG   . PHE   A 125 ? 0.180307  0.247739  0.194819  0.0199854   0.0192258   -0.042007   137 PHE   A CG   
1929 C CD1  . PHE   A 125 ? 0.191527  0.273906  0.196563  0.0367749   0.0179498   -0.0296803  137 PHE   A CD1  
1930 C CD2  . PHE   A 125 ? 0.190471  0.267113  0.198633  0.0251394   0.0299888   -0.0289627  137 PHE   A CD2  
1931 C CE1  . PHE   A 125 ? 0.194613  0.287707  0.203709  0.0479861   0.0120457   -0.0327316  137 PHE   A CE1  
1932 C CE2  . PHE   A 125 ? 0.247714  0.267568  0.205082  0.0152089   0.0191793   -0.0382461  137 PHE   A CE2  
1933 C CZ   . PHE   A 125 ? 0.223175  0.273027  0.192253  0.0275191   0.0208561   -0.0499895  137 PHE   A CZ   
1934 H H    . PHE   A 125 ? 0.129183  0.214346  0.191533  0.0150108   0.0453325   -0.00884949 137 PHE   A H    
1935 H HA   . PHE   A 125 ? 0.137082  0.216169  0.204361  0.0355453   0.0384734   -0.0163424  137 PHE   A HA   
1936 H HB2  . PHE   A 125 ? 0.158387  0.228235  0.197383  0.0314195   0.0299936   -0.027325   137 PHE   A HB2  
1937 H HB3  . PHE   A 125 ? 0.15777   0.227753  0.197204  0.0319796   0.0299952   -0.0271914  137 PHE   A HB3  
1938 H HD1  . PHE   A 125 ? 0.192923  0.26503   0.200815  0.0297543   0.0166843   -0.0276912  137 PHE   A HD1  
1939 H HD2  . PHE   A 125 ? 0.201643  0.257     0.200912  0.0202105   0.022179    -0.0286536  137 PHE   A HD2  
1940 H HE1  . PHE   A 125 ? 0.204372  0.274185  0.202555  0.0354864   0.0151964   -0.0290569  137 PHE   A HE1  
1941 H HE2  . PHE   A 125 ? 0.229082  0.269135  0.205976  0.0173726   0.0199902   -0.0323803  137 PHE   A HE2  
1942 H HZ   . PHE   A 125 ? 0.222251  0.268933  0.195349  0.0264477   0.0177344   -0.0391382  137 PHE   A HZ   
1943 N N    . LYS   A 126 ? 0.136277  0.226841  0.256004  0.0660946   0.0164315   -0.0203144  138 LYS   A N    
1944 C CA   . LYS   A 126 ? 0.14909   0.264929  0.302495  0.0728033   0.00175872  -0.009075   138 LYS   A CA   
1945 C C    . LYS   A 126 ? 0.186258  0.275826  0.356085  0.0688106   -0.0168783  -0.0037445  138 LYS   A C    
1946 O O    . LYS   A 126 ? 0.165176  0.234245  0.380746  0.0857992   0.00437138  0.0203249   138 LYS   A O    
1947 C CB   . LYS   A 126 ? 0.0965026 0.345006  0.351985  0.0278468   -0.00699085 -0.00470175 138 LYS   A CB   
1948 H H    . LYS   A 126 ? 0.148221  0.231369  0.250437  0.0585464   0.019446    -0.016855   138 LYS   A H    
1949 H HA   . LYS   A 126 ? 0.157707  0.269599  0.298158  0.0571839   0.00524087  -0.00752983 138 LYS   A HA   
1950 H HB2  . LYS   A 126 ? 0.273314  0.273314  0.273314  0           0           0           138 LYS   A HB2  
1951 H HB3  . LYS   A 126 ? 0.273314  0.273314  0.273314  0           0           0           138 LYS   A HB3  
1952 N N    . GLY   A 127 ? 0.238551  0.299125  0.409073  0.0758801   0.0395767   -0.0142464  139 GLY   A N    
1953 C CA   . GLY   A 127 ? 0.313309  0.306902  0.429497  0.0583753   -0.0187406  0.0238489   139 GLY   A CA   
1954 C C    . GLY   A 127 ? 0.431863  0.380531  0.480117  0.0389648   -0.0523339  0.00395122  139 GLY   A C    
1955 O O    . GLY   A 127 ? 0.503223  0.370654  0.525802  0.0317126   -0.108625   0.0344677   139 GLY   A O    
1956 H H    . GLY   A 127 ? 0.241616  0.298018  0.381779  0.0620773   0.0173723   -0.0010146  139 GLY   A H    
1957 H HA2  . GLY   A 127 ? 0.315884  0.323798  0.421146  0.051826    -0.00657046 0.00980301  139 GLY   A HA2  
1958 H HA3  . GLY   A 127 ? 0.318845  0.326516  0.42387   0.0505713   -0.00660104 0.0107362   139 GLY   A HA3  
1959 N N    . GLU   A 128 ? 0.558248  0.516838  0.536607  0.0220933   -0.0425288  0.0548343   140 GLU   A N    
1960 C CA   . GLU   A 128 ? 0.695501  0.641772  0.624815  0.00191525  -0.0318206  0.0600355   140 GLU   A CA   
1961 C C    . GLU   A 128 ? 0.750082  0.703321  0.757403  0.0725003   -0.0929968  0.0401643   140 GLU   A C    
1962 O O    . GLU   A 128 ? 0.744966  0.490836  0.927422  0.158597    -0.119337   0.104918    140 GLU   A O    
1963 C CB   . GLU   A 128 ? 0.600111  0.632583  0.578148  -0.0611894  0.0709616   0.0992887   140 GLU   A CB   
1964 O OXT  . GLU   A 128 ? 0.935563  0.917709  0.729657  0.0608648   -0.138223   -0.0134871  140 GLU   A OXT  
1965 H H    . GLU   A 128 ? 0.537208  0.499665  0.534358  0.0267281   -0.0302918  0.0394057   140 GLU   A H    
1966 H HA   . GLU   A 128 ? 0.654583  0.631214  0.621151  0.00083296  -0.0235043  0.0581717   140 GLU   A HA   
1967 H HB2  . GLU   A 128 ? 0.602608  0.602608  0.602608  0           0           0           140 GLU   A HB2  
1968 H HB3  . GLU   A 128 ? 0.602608  0.602608  0.602608  0           0           0           140 GLU   A HB3  
1969 N N    . GLY   B 1   ? 0.332173  0.271466  0.577936  -0.00347281 -0.152126   -0.0161118  13  GLY   B N    
1970 C CA   . GLY   B 1   ? 0.300562  0.263995  0.519957  -0.00988262 -0.152353   -0.0194782  13  GLY   B CA   
1971 C C    . GLY   B 1   ? 0.317177  0.297569  0.473586  -0.00666105 -0.150596   -0.00215263 13  GLY   B C    
1972 O O    . GLY   B 1   ? 0.305132  0.331027  0.530046  0.0284867   -0.171794   0.00324339  13  GLY   B O    
1973 H H1   . GLY   B 1   ? 0.334728  0.289719  0.541352  -0.00174862 -0.125501   -0.00858305 13  GLY   B H1   
1974 H H2   . GLY   B 1   ? 0.33586   0.292914  0.541801  -0.00086593 -0.126054   -0.00806696 13  GLY   B H2   
1975 H H3   . GLY   B 1   ? 0.335386  0.29223   0.543411  -0.00025644 -0.125661   -0.00952372 13  GLY   B H3   
1976 H HA2  . GLY   B 1   ? 0.319762  0.288452  0.501124  0.00057423  -0.123386   -0.00932243 13  GLY   B HA2  
1977 H HA3  . GLY   B 1   ? 0.32041   0.289405  0.500563  -0.0019345  -0.125988   -0.00759738 13  GLY   B HA3  
1978 N N    . ALA   B 2   ? 0.28331   0.258426  0.406366  -0.021357   -0.114852   0.00981091  14  ALA   B N    
1979 C CA   . ALA   B 2   ? 0.275772  0.259163  0.368107  -0.0137373  -0.0775356  -0.0148223  14  ALA   B CA   
1980 C C    . ALA   B 2   ? 0.313016  0.237173  0.374996  -0.00370215 -0.0836021  -0.0110382  14  ALA   B C    
1981 O O    . ALA   B 2   ? 0.274244  0.27695   0.287884  0.0108813   -0.0537859  0.00491389  14  ALA   B O    
1982 C CB   . ALA   B 2   ? 0.268617  0.244321  0.352548  -0.00032667 -0.0449116  0.00342306  14  ALA   B CB   
1983 H H    . ALA   B 2   ? 0.291928  0.271049  0.397964  -0.00998301 -0.0965458  0.00564898  14  ALA   B H    
1984 H HA   . ALA   B 2   ? 0.284984  0.261236  0.361571  -0.00782525 -0.0652727  -0.00377291 14  ALA   B HA   
1985 H HB1  . ALA   B 2   ? 0.273342  0.255994  0.346873  -4.158e-05  -0.042825   -0.00182355 14  ALA   B HB1  
1986 H HB2  . ALA   B 2   ? 0.272842  0.255959  0.343453  -0.00252401 -0.0430119  -0.00035528 14  ALA   B HB2  
1987 H HB3  . ALA   B 2   ? 0.272745  0.2552    0.347102  -0.00288242 -0.0440047  -0.00084151 14  ALA   B HB3  
1988 N N    . PRO   B 3   ? 0.261213  0.251576  0.414907  -0.0163979  -0.0880034  -0.0251279  15  PRO   B N    
1989 C CA   . PRO   B 3   ? 0.256567  0.280687  0.442147  0.00259981  -0.113788   0.00163102  15  PRO   B CA   
1990 C C    . PRO   B 3   ? 0.259912  0.239658  0.466537  -0.00890014 -0.139021   0.0117375   15  PRO   B C    
1991 O O    . PRO   B 3   ? 0.236445  0.212268  0.51029   0.0160251   -0.0957371  -0.0108152  15  PRO   B O    
1992 C CB   . PRO   B 3   ? 0.270309  0.267649  0.424797  -0.0176857  -0.109376   -0.0293666  15  PRO   B CB   
1993 C CG   . PRO   B 3   ? 0.278649  0.246934  0.450354  -0.0232283  -0.0950601  -0.0312466  15  PRO   B CG   
1994 C CD   . PRO   B 3   ? 0.269679  0.22529   0.418669  -0.0229016  -0.0834254  -0.0369445  15  PRO   B CD   
1995 H HA   . PRO   B 3   ? 0.273159  0.278114  0.42535   -0.00124489 -0.0935356  -0.00298537 15  PRO   B HA   
1996 H HB2  . PRO   B 3   ? 0.270928  0.274654  0.420535  -0.0127778  -0.0914423  -0.0181788  15  PRO   B HB2  
1997 H HB3  . PRO   B 3   ? 0.275827  0.272268  0.418713  -0.0108778  -0.0900658  -0.02032    15  PRO   B HB3  
1998 H HG2  . PRO   B 3   ? 0.282556  0.260667  0.425244  -0.0166627  -0.0800746  -0.0252586  15  PRO   B HG2  
1999 H HG3  . PRO   B 3   ? 0.280814  0.260329  0.423692  -0.0177345  -0.080986   -0.0256608  15  PRO   B HG3  
2000 H HD2  . PRO   B 3   ? 0.270154  0.242946  0.410344  -0.0217763  -0.0744139  -0.0278155  15  PRO   B HD2  
2001 H HD3  . PRO   B 3   ? 0.274322  0.247241  0.409948  -0.0166953  -0.072283   -0.0254604  15  PRO   B HD3  
2002 N N    . ALA   B 4   ? 0.294466  0.265398  0.51404   -0.0192887  -0.124417   -0.00115755 16  ALA   B N    
2003 C CA   . ALA   B 4   ? 0.295375  0.292756  0.505444  -0.0269249  -0.130218   0.00454115  16  ALA   B CA   
2004 C C    . ALA   B 4   ? 0.315173  0.318966  0.502405  -0.0219152  -0.112166   -0.00715738 16  ALA   B C    
2005 O O    . ALA   B 4   ? 0.363609  0.329529  0.475576  -0.0344312  -0.139606   0.0158287   16  ALA   B O    
2006 C CB   . ALA   B 4   ? 0.310325  0.273979  0.564072  -0.00409226 -0.158153   -0.00091715 16  ALA   B CB   
2007 H H    . ALA   B 4   ? 0.297323  0.282431  0.484625  -0.0117433  -0.107895   0.00639231  16  ALA   B H    
2008 H HA   . ALA   B 4   ? 0.313007  0.30355   0.501112  -0.0151734  -0.109859   0.00462882  16  ALA   B HA   
2009 H HB1  . ALA   B 4   ? 0.320938  0.298896  0.530193  -0.00401647 -0.125874   0.00459285  16  ALA   B HB1  
2010 H HB2  . ALA   B 4   ? 0.319423  0.298003  0.528354  -0.00366591 -0.124286   0.00493829  16  ALA   B HB2  
2011 H HB3  . ALA   B 4   ? 0.3191    0.298492  0.526469  -0.00414275 -0.125603   0.00586279  16  ALA   B HB3  
2012 N N    . THR   B 5   ? 0.243286  0.327093  0.428418  -0.0253402  -0.117832   -0.00648869 17  THR   B N    
2013 C CA   . THR   B 5   ? 0.3046    0.320727  0.430392  -0.0357537  -0.0831806  -0.0117438  17  THR   B CA   
2014 C C    . THR   B 5   ? 0.26032   0.319856  0.352172  -0.0274769  -0.0662305  -0.0250789  17  THR   B C    
2015 O O    . THR   B 5   ? 0.294815  0.321771  0.377821  -0.0413821  -0.100885   -0.0240915  17  THR   B O    
2016 C CB   . THR   B 5   ? 0.363313  0.332526  0.448976  -0.0424548  -0.0783697  -0.046097   17  THR   B CB   
2017 O OG1  . THR   B 5   ? 0.472811  0.321619  0.45803   -0.00914636 -0.137141   -0.0735866  17  THR   B OG1  
2018 C CG2  . THR   B 5   ? 0.427377  0.365702  0.463728  -0.0445197  -0.0620477  -0.0477263  17  THR   B CG2  
2019 H H    . THR   B 5   ? 0.280077  0.323268  0.430461  -0.0196667  -0.093636   -0.00190121 17  THR   B H    
2020 H HA   . THR   B 5   ? 0.302215  0.328814  0.414335  -0.0275827  -0.0702423  -0.0148093  17  THR   B HA   
2021 H HB   . THR   B 5   ? 0.381993  0.340686  0.441535  -0.0299809  -0.073997   -0.0373762  17  THR   B HB   
2022 H HG1  . THR   B 5   ? 0.41339   0.41339   0.41339   0           0           0           17  THR   B HG1  
2023 H HG21 . THR   B 5   ? 0.412632  0.368969  0.456137  -0.0402991  -0.0564666  -0.0400796  17  THR   B HG21 
2024 H HG22 . THR   B 5   ? 0.410075  0.365791  0.459312  -0.0375576  -0.0539192  -0.0399028  17  THR   B HG22 
2025 H HG23 . THR   B 5   ? 0.407882  0.368335  0.454949  -0.0362793  -0.0559829  -0.0391056  17  THR   B HG23 
2026 N N    . VAL   B 6   ? 0.181177  0.296012  0.294047  -0.0170243  -0.0361427  0.00014267  18  VAL   B N    
2027 C CA   . VAL   B 6   ? 0.143059  0.282907  0.26846   -0.0216916  -0.0260531  0.00164438  18  VAL   B CA   
2028 C C    . VAL   B 6   ? 0.17797   0.278012  0.29999   -0.00872258 -0.0692315  -0.00430584 18  VAL   B C    
2029 O O    . VAL   B 6   ? 0.177414  0.31515   0.329797  0.004267    -0.0570303  0.014413    18  VAL   B O    
2030 C CB   . VAL   B 6   ? 0.124797  0.293442  0.295575  -0.0003033  -0.0263138  0.00391988  18  VAL   B CB   
2031 C CG1  . VAL   B 6   ? 0.137778  0.293843  0.26811   -0.00255959 -0.0380462  -0.011342   18  VAL   B CG1  
2032 C CG2  . VAL   B 6   ? 0.12447   0.284861  0.299479  -0.00131221 -0.0173539  0.00422964  18  VAL   B CG2  
2033 H H    . VAL   B 6   ? 0.195953  0.291884  0.293402  -0.0163422  -0.0330614  -0.00036251 18  VAL   B H    
2034 H HA   . VAL   B 6   ? 0.159742  0.28082   0.273774  -0.0138707  -0.0231843  0.00471002  18  VAL   B HA   
2035 H HB   . VAL   B 6   ? 0.147039  0.286948  0.282036  -0.00170252 -0.0207593  0.00288466  18  VAL   B HB   
2036 H HG11 . VAL   B 6   ? 0.149536  0.288665  0.271053  0.00094385  -0.0285282  -0.00397427 18  VAL   B HG11 
2037 H HG12 . VAL   B 6   ? 0.149713  0.288059  0.26988   0.0003169   -0.0278535  -0.00336046 18  VAL   B HG12 
2038 H HG13 . VAL   B 6   ? 0.148301  0.288377  0.265888  0.00056353  -0.0300696  -0.00389019 18  VAL   B HG13 
2039 H HG21 . VAL   B 6   ? 0.14152   0.283433  0.290499  0.00164657  -0.0146208  0.00613258  18  VAL   B HG21 
2040 H HG22 . VAL   B 6   ? 0.142521  0.2806    0.291475  0.00098537  -0.0146037  0.00567572  18  VAL   B HG22 
2041 H HG23 . VAL   B 6   ? 0.141257  0.283389  0.291254  0.00149304  -0.0137207  0.00644983  18  VAL   B HG23 
2042 N N    . THR   B 7   ? 0.214271  0.312075  0.327465  -0.00056186 -0.106115   0.0385018   19  THR   B N    
2043 C CA   . THR   B 7   ? 0.230107  0.300328  0.342331  -0.00869325 -0.106758   0.00183176  19  THR   B CA   
2044 C C    . THR   B 7   ? 0.259035  0.312962  0.376793  0.00253777  -0.145758   0.0158324   19  THR   B C    
2045 O O    . THR   B 7   ? 0.28566   0.308352  0.412389  -0.00322172 -0.144334   0.00997925  19  THR   B O    
2046 C CB   . THR   B 7   ? 0.227659  0.334397  0.375213  -0.0155558  -0.105039   0.00170194  19  THR   B CB   
2047 O OG1  . THR   B 7   ? 0.216074  0.342883  0.353087  0.00224535  -0.0721453  0.0147973   19  THR   B OG1  
2048 C CG2  . THR   B 7   ? 0.236936  0.314564  0.388797  -0.016443   -0.10135    0.00968073  19  THR   B CG2  
2049 H H    . THR   B 7   ? 0.217545  0.297612  0.317253  -0.00384031 -0.0811899  0.0193775   19  THR   B H    
2050 H HA   . THR   B 7   ? 0.239936  0.302604  0.340164  -0.00527725 -0.0965163  0.00732557  19  THR   B HA   
2051 H HB   . THR   B 7   ? 0.240494  0.327383  0.361344  -0.00838161 -0.0835543  0.00725011  19  THR   B HB   
2052 H HG1  . THR   B 7   ? 0.30599   0.30599   0.30599   0           0           0           19  THR   B HG1  
2053 H HG21 . THR   B 7   ? 0.24541   0.32063   0.375862  -0.0128571  -0.0860164  0.00812606  19  THR   B HG21 
2054 H HG22 . THR   B 7   ? 0.245979  0.319187  0.375586  -0.0124416  -0.0863649  0.00714656  19  THR   B HG22 
2055 H HG23 . THR   B 7   ? 0.246021  0.320908  0.376429  -0.0123923  -0.0864675  0.00792015  19  THR   B HG23 
2056 N N    . GLU   B 8   ? 0.345807  0.309746  0.387284  -0.0509994  -0.170933   -0.00558608 20  GLU   B N    
2057 C CA   . GLU   B 8   ? 0.425937  0.364604  0.393965  -0.105111   -0.14832    0.0245833   20  GLU   B CA   
2058 C C    . GLU   B 8   ? 0.411664  0.370342  0.37106   -0.0824343  -0.15436    0.0489622   20  GLU   B C    
2059 O O    . GLU   B 8   ? 0.488399  0.423322  0.4636    -0.0872781  -0.236277   0.107139    20  GLU   B O    
2060 C CB   . GLU   B 8   ? 0.520655  0.350477  0.499236  -0.127981   -0.0963579  0.0122305   20  GLU   B CB   
2061 C CG   . GLU   B 8   ? 0.571677  0.369247  0.592295  -0.141377   -0.104397   0.0577612   20  GLU   B CG   
2062 C CD   . GLU   B 8   ? 0.734307  0.454685  0.697941  -0.0739287  -0.128601   -0.00425448 20  GLU   B CD   
2063 O OE1  . GLU   B 8   ? 0.767245  0.503641  0.796429  -0.0239369  -0.0794119  -0.00825314 20  GLU   B OE1  
2064 O OE2  . GLU   B 8   ? 0.828717  0.414324  0.687323  -0.0566589  -0.244293   0.0658618   20  GLU   B OE2  
2065 H H    . GLU   B 8   ? 0.340269  0.325009  0.381265  -0.0415302  -0.136366   0.00664995  20  GLU   B H    
2066 H HA   . GLU   B 8   ? 0.419837  0.359002  0.401859  -0.0831894  -0.125444   0.0182941   20  GLU   B HA   
2067 H HB2  . GLU   B 8   ? 0.503074  0.374424  0.485444  -0.110207   -0.0939197  0.0222542   20  GLU   B HB2  
2068 H HB3  . GLU   B 8   ? 0.498249  0.373027  0.491959  -0.108276   -0.0934776  0.0216501   20  GLU   B HB3  
2069 H HG2  . GLU   B 8   ? 0.573746  0.397617  0.576367  -0.106372   -0.0905189  0.0326692   20  GLU   B HG2  
2070 H HG3  . GLU   B 8   ? 0.569535  0.396322  0.57652   -0.105466   -0.0910307  0.0319683   20  GLU   B HG3  
2071 N N    . GLN   B 9   ? 0.37408   0.383121  0.290072  -0.142832   -0.133978   0.0103704   21  GLN   B N    
2072 C CA   . GLN   B 9   ? 0.388016  0.372445  0.298483  -0.112937   -0.0844208  0.00768302  21  GLN   B CA   
2073 C C    . GLN   B 9   ? 0.335768  0.353812  0.261428  -0.101132   -0.047338   0.00423725  21  GLN   B C    
2074 O O    . GLN   B 9   ? 0.343148  0.41645   0.240111  -0.0619351  -0.0409695  0.0277318   21  GLN   B O    
2075 C CB   . GLN   B 9   ? 0.442499  0.467895  0.345884  -0.129195   -0.0259867  -0.0212039  21  GLN   B CB   
2076 C CG   . GLN   B 9   ? 0.474533  0.482211  0.43882   -0.164755   -0.00583447 -0.0483184  21  GLN   B CG   
2077 C CD   . GLN   B 9   ? 0.500586  0.562974  0.499647  -0.147783   0.0570288   -0.0307891  21  GLN   B CD   
2078 O OE1  . GLN   B 9   ? 0.563326  0.737135  0.68592   -0.150106   0.0673076   -0.00790301 21  GLN   B OE1  
2079 N NE2  . GLN   B 9   ? 0.565277  0.599178  0.539156  -0.117462   0.0273686   -0.00962345 21  GLN   B NE2  
2080 H H    . GLN   B 9   ? 0.37934   0.373208  0.311644  -0.105033   -0.108724   0.0171822   21  GLN   B H    
2081 H HA   . GLN   B 9   ? 0.378135  0.379133  0.300558  -0.101625   -0.0683691  0.00605339  21  GLN   B HA   
2082 H HB2  . GLN   B 9   ? 0.431423  0.441987  0.362255  -0.115236   -0.0292613  -0.0186507  21  GLN   B HB2  
2083 H HB3  . GLN   B 9   ? 0.431127  0.440939  0.359233  -0.11347    -0.0309092  -0.016444   21  GLN   B HB3  
2084 H HG2  . GLN   B 9   ? 0.470385  0.491406  0.434618  -0.133468   0.00424413  -0.0356969  21  GLN   B HG2  
2085 H HG3  . GLN   B 9   ? 0.470814  0.490394  0.431516  -0.131861   0.00203795  -0.0334123  21  GLN   B HG3  
2086 H HE21 . GLN   B 9   ? 0.550388  0.589041  0.53231   -0.113923   0.0307293   -0.0143649  21  GLN   B HE21 
2087 H HE22 . GLN   B 9   ? 0.558807  0.584777  0.531317  -0.110979   0.0267733   -0.0162677  21  GLN   B HE22 
2088 N N    . GLY   B 10  ? 0.327485  0.321804  0.24538   -0.0851434  -0.0646735  0.0073562   22  GLY   B N    
2089 C CA   . GLY   B 10  ? 0.289194  0.290299  0.214121  -0.056023   -0.0530725  0.0358816   22  GLY   B CA   
2090 C C    . GLY   B 10  ? 0.264163  0.288326  0.234321  -0.0338631  -0.0464952  0.0447686   22  GLY   B C    
2091 O O    . GLY   B 10  ? 0.275422  0.297073  0.305852  0.0032419   -0.0453285  0.0732203   22  GLY   B O    
2092 H H    . GLY   B 10  ? 0.320508  0.321084  0.250612  -0.0690297  -0.0516017  0.012044    22  GLY   B H    
2093 H HA2  . GLY   B 10  ? 0.28566   0.293007  0.228258  -0.0480213  -0.0444987  0.0281095   22  GLY   B HA2  
2094 H HA3  . GLY   B 10  ? 0.286947  0.293593  0.22389   -0.0490883  -0.0438263  0.0288879   22  GLY   B HA3  
2095 N N    . GLU   B 11  ? 0.249241  0.246459  0.188593  -0.0150564  -0.0360326  0.0499272   23  GLU   B N    
2096 C CA   . GLU   B 11  ? 0.236914  0.237177  0.224289  0.00392495  -0.0445383  0.0280661   23  GLU   B CA   
2097 C C    . GLU   B 11  ? 0.231966  0.198003  0.20957   0.00948386  -0.0250221  0.0505263   23  GLU   B C    
2098 O O    . GLU   B 11  ? 0.202871  0.202672  0.20014   0.0462236   0.00996222  0.0510614   23  GLU   B O    
2099 C CB   . GLU   B 11  ? 0.272262  0.270716  0.283871  -0.00877912 -0.0343474  0.0238724   23  GLU   B CB   
2100 C CG   . GLU   B 11  ? 0.336056  0.32791   0.408318  -0.00701257 -0.0299087  0.0395654   23  GLU   B CG   
2101 C CD   . GLU   B 11  ? 0.409172  0.419234  0.59335   -0.0532597  0.0749893   -0.00829347 23  GLU   B CD   
2102 O OE1  . GLU   B 11  ? 0.578001  0.51216   0.694817  -0.0577764  0.199063    -0.0187428  23  GLU   B OE1  
2103 O OE2  . GLU   B 11  ? 0.589332  0.544014  0.835494  -0.112164   0.0166632   -0.0370465  23  GLU   B OE2  
2104 H H    . GLU   B 11  ? 0.245862  0.250977  0.20977   -0.0123488  -0.0340923  0.037731    23  GLU   B H    
2105 H HA   . GLU   B 11  ? 0.239676  0.235909  0.221402  -0.00014249 -0.0328916  0.0321182   23  GLU   B HA   
2106 H HB2  . GLU   B 11  ? 0.27138   0.270647  0.281667  -0.0045436  -0.0291958  0.0227464   23  GLU   B HB2  
2107 H HB3  . GLU   B 11  ? 0.272163  0.271302  0.28343   -0.00526124 -0.0283681  0.0227011   23  GLU   B HB3  
2108 H HG2  . GLU   B 11  ? 0.32807   0.328574  0.392648  -0.0141895  -0.0135115  0.0292398   23  GLU   B HG2  
2109 H HG3  . GLU   B 11  ? 0.327251  0.326249  0.384315  -0.0122458  -0.0125852  0.0257459   23  GLU   B HG3  
2110 N N    . ASP   B 12  ? 0.20028   0.202499  0.19994   0.00557986  -0.0163024  0.0363464   24  ASP   B N    
2111 C CA   . ASP   B 12  ? 0.215694  0.196214  0.206518  -0.00280873 -0.00722518 0.0388355   24  ASP   B CA   
2112 C C    . ASP   B 12  ? 0.197309  0.158243  0.205503  -0.00447471 -0.00088923 0.0584213   24  ASP   B C    
2113 O O    . ASP   B 12  ? 0.215246  0.166032  0.22838   -0.0212678  0.00336481  0.0633158   24  ASP   B O    
2114 C CB   . ASP   B 12  ? 0.211242  0.218836  0.209871  -0.011073   -0.00665906 0.0430778   24  ASP   B CB   
2115 C CG   . ASP   B 12  ? 0.201877  0.227161  0.220676  -0.0117548  0.0126252   0.0510156   24  ASP   B CG   
2116 O OD1  . ASP   B 12  ? 0.167187  0.282115  0.246272  0.00549989  0.00258267  0.0441222   24  ASP   B OD1  
2117 O OD2  . ASP   B 12  ? 0.163388  0.254651  0.213657  -0.0125293  0.0283217   0.0642165   24  ASP   B OD2  
2118 H H    . ASP   B 12  ? 0.20911   0.201213  0.201668  0.00392478  -0.0141171  0.0347239   24  ASP   B H    
2119 H HA   . ASP   B 12  ? 0.206987  0.197452  0.206916  -0.00223969 -0.00577767 0.0357479   24  ASP   B HA   
2120 H HB2  . ASP   B 12  ? 0.210036  0.215406  0.211054  -0.00814073 -0.00127107 0.0375795   24  ASP   B HB2  
2121 H HB3  . ASP   B 12  ? 0.210253  0.215553  0.211399  -0.00798488 -0.00121708 0.0374217   24  ASP   B HB3  
2122 N N    . ILE   B 13  ? 0.190288  0.174464  0.218823  -0.0205768  0.00123052  0.0428892   25  ILE   B N    
2123 C CA   . ILE   B 13  ? 0.166699  0.176037  0.231406  -0.00481458 0.0102793   0.0391256   25  ILE   B CA   
2124 C C    . ILE   B 13  ? 0.160154  0.196047  0.250167  -0.0138552  0.00749385  0.0123834   25  ILE   B C    
2125 O O    . ILE   B 13  ? 0.177128  0.235918  0.302533  0.0150487   0.00658092  -0.00290071 25  ILE   B O    
2126 C CB   . ILE   B 13  ? 0.156476  0.201406  0.241101  -0.0020243  0.00384951  0.0217179   25  ILE   B CB   
2127 C CG1  . ILE   B 13  ? 0.14639   0.203433  0.245033  0.0201588   0.00168428  0.0361558   25  ILE   B CG1  
2128 C CG2  . ILE   B 13  ? 0.169404  0.227532  0.256688  -0.00098793 0.00194555  0.027865    25  ILE   B CG2  
2129 C CD1  . ILE   B 13  ? 0.173134  0.223482  0.234912  0.0122638   -0.0172739  0.0207141   25  ILE   B CD1  
2130 H H    . ILE   B 13  ? 0.187897  0.175784  0.214941  -0.0105378  0.00354438  0.0396749   25  ILE   B H    
2131 H HA   . ILE   B 13  ? 0.171538  0.184835  0.224711  -0.0080534  0.00839609  0.0305308   25  ILE   B HA   
2132 H HB   . ILE   B 13  ? 0.162103  0.20073   0.236839  -0.0002277  0.00422885  0.0249172   25  ILE   B HB   
2133 H HG12 . ILE   B 13  ? 0.161763  0.207701  0.236149  0.0121499   -5.205e-05  0.0264108   25  ILE   B HG12 
2134 H HG13 . ILE   B 13  ? 0.161168  0.20732   0.235913  0.0120658   5.076e-05   0.0258394   25  ILE   B HG13 
2135 H HG21 . ILE   B 13  ? 0.174385  0.221299  0.247784  -0.00122936 0.00365417  0.0226401   25  ILE   B HG21 
2136 H HG22 . ILE   B 13  ? 0.174298  0.221107  0.247811  -4.357e-05  0.00381105  0.0232286   25  ILE   B HG22 
2137 H HG23 . ILE   B 13  ? 0.1734    0.221457  0.248803  -0.00035382 0.00310809  0.022025    25  ILE   B HG23 
2138 H HD11 . ILE   B 13  ? 0.171354  0.218056  0.234062  0.0123714   -0.00805482 0.021958    25  ILE   B HD11 
2139 H HD12 . ILE   B 13  ? 0.171616  0.219038  0.235543  0.0128539   -0.00854276 0.0210418   25  ILE   B HD12 
2140 H HD13 . ILE   B 13  ? 0.171827  0.218456  0.234884  0.0124181   -0.00851072 0.0223974   25  ILE   B HD13 
2141 N N    . THR   B 14  ? 0.160825  0.188122  0.259092  0.0125835   0.00421624  0.0244838   26  THR   B N    
2142 C CA   . THR   B 14  ? 0.120589  0.206443  0.257224  -0.00251523 0.0172508   0.0196483   26  THR   B CA   
2143 C C    . THR   B 14  ? 0.127879  0.211833  0.257953  0.00293175  0.0251444   0.0216721   26  THR   B C    
2144 O O    . THR   B 14  ? 0.144712  0.22527   0.275726  -0.0004999  0.0182149   0.0329266   26  THR   B O    
2145 C CB   . THR   B 14  ? 0.133587  0.238011  0.22803   0.0118811   0.0301906   0.0258462   26  THR   B CB   
2146 O OG1  . THR   B 14  ? 0.17221   0.241156  0.231144  0.0367019   0.0370877   0.0509542   26  THR   B OG1  
2147 C CG2  . THR   B 14  ? 0.102417  0.215611  0.259627  0.0213977   0.0102418   0.0160963   26  THR   B CG2  
2148 H H    . THR   B 14  ? 0.160467  0.198066  0.250106  0.00464272  0.00988515  0.0201828   26  THR   B H    
2149 H HA   . THR   B 14  ? 0.139977  0.210053  0.245094  0.00446319  0.0165656   0.0201959   26  THR   B HA   
2150 H HB   . THR   B 14  ? 0.139859  0.225227  0.235488  0.0146886   0.0243822   0.0237634   26  THR   B HB   
2151 H HG1  . THR   B 14  ? 0.220247  0.220247  0.220247  0           0           0           26  THR   B HG1  
2152 H HG21 . THR   B 14  ? 0.119696  0.220723  0.242885  0.017541    0.0181455   0.0186132   26  THR   B HG21 
2153 H HG22 . THR   B 14  ? 0.122194  0.219235  0.242173  0.0181509   0.0171027   0.0175602   26  THR   B HG22 
2154 H HG23 . THR   B 14  ? 0.120725  0.220545  0.241438  0.0179588   0.015292    0.0183252   26  THR   B HG23 
2155 N N    . SER   B 15  ? 0.123956  0.20663   0.278183  -0.00763302 0.0161976   0.0155559   27  SER   B N    
2156 C CA   . SER   B 15  ? 0.178152  0.200548  0.285565  -0.00560453 0.00541047  0.0134582   27  SER   B CA   
2157 C C    . SER   B 15  ? 0.192134  0.190936  0.273046  0.00932986  0.0201657   0.0223935   27  SER   B C    
2158 O O    . SER   B 15  ? 0.243596  0.255839  0.304216  0.0038311   0.031543    0.0651068   27  SER   B O    
2159 C CB   . SER   B 15  ? 0.211132  0.202373  0.379837  -0.0299048  -0.0323659  0.0234002   27  SER   B CB   
2160 O OG   . SER   B 15  ? 0.268584  0.268343  0.485087  -0.0202688  -0.0368512  0.0258539   27  SER   B OG   
2161 H H    . SER   B 15  ? 0.145864  0.209108  0.266422  -0.0023773  0.0164454   0.0163643   27  SER   B H    
2162 H HA   . SER   B 15  ? 0.179473  0.206265  0.284827  -0.00459203 0.00825081  0.0168458   27  SER   B HA   
2163 H HB2  . SER   B 15  ? 0.220892  0.222362  0.360472  -0.0155361  -0.0178137  0.0217185   27  SER   B HB2  
2164 H HB3  . SER   B 15  ? 0.219888  0.218528  0.356879  -0.0153451  -0.0161764  0.0234402   27  SER   B HB3  
2165 H HG   . SER   B 15  ? 0.344872  0.344872  0.344872  0           0           0           27  SER   B HG   
2166 N N    . LYS   B 16  ? 0.199626  0.242087  0.279836  0.0161133   0.0310344   0.046401    28  LYS   B N    
2167 C CA   . LYS   B 16  ? 0.187972  0.255616  0.281919  0.0319325   0.0279675   0.0323336   28  LYS   B CA   
2168 C C    . LYS   B 16  ? 0.180119  0.250461  0.296633  0.0550231   0.0307583   0.0446792   28  LYS   B C    
2169 O O    . LYS   B 16  ? 0.0843713 0.250564  0.358162  0.00383153  0.0494919   0.0282436   28  LYS   B O    
2170 C CB   . LYS   B 16  ? 0.213824  0.299842  0.262429  0.0595633   0.0526517   -0.00870208 28  LYS   B CB   
2171 C CG   . LYS   B 16  ? 0.305475  0.333252  0.27522   0.0151467   0.0599057   0.00470477  28  LYS   B CG   
2172 C CD   . LYS   B 16  ? 0.340895  0.43973   0.248917  0.0682744   0.111843    -0.0367615  28  LYS   B CD   
2173 H H    . LYS   B 16  ? 0.200638  0.233439  0.272388  0.0161715   0.0259535   0.0329745   28  LYS   B H    
2174 H HA   . LYS   B 16  ? 0.200208  0.25644   0.275648  0.0329779   0.0309779   0.0277641   28  LYS   B HA   
2175 H HB2  . LYS   B 16  ? 0.228343  0.292358  0.268577  0.0378004   0.0432781   0.0036495   28  LYS   B HB2  
2176 H HB3  . LYS   B 16  ? 0.224504  0.29083   0.268652  0.038238    0.0424173   0.004342    28  LYS   B HB3  
2177 H HG2  . LYS   B 16  ? 0.289538  0.338079  0.272082  0.032503    0.0608203   -0.00569601 28  LYS   B HG2  
2178 H HG3  . LYS   B 16  ? 0.294548  0.337623  0.272066  0.0332004   0.0614772   -0.00542548 28  LYS   B HG3  
2179 H HD2  . LYS   B 16  ? 0.347912  0.347912  0.347912  0           0           0           28  LYS   B HD2  
2180 H HD3  . LYS   B 16  ? 0.347912  0.347912  0.347912  0           0           0           28  LYS   B HD3  
2181 N N    . LYS   B 17  ? 0.115587  0.26862   0.263627  0.0509515   0.0441514   0.0490973   29  LYS   B N    
2182 C CA   . LYS   B 17  ? 0.155963  0.273944  0.23807   0.0266392   0.0253959   0.0606611   29  LYS   B CA   
2183 C C    . LYS   B 17  ? 0.137111  0.232497  0.243048  0.035839    0.0163653   0.0616748   29  LYS   B C    
2184 O O    . LYS   B 17  ? 0.183599  0.254212  0.249167  0.0415245   -0.00153621 0.0574334   29  LYS   B O    
2185 C CB   . LYS   B 17  ? 0.21627   0.297478  0.242863  -0.0123302  0.0565498   0.0698323   29  LYS   B CB   
2186 C CG   . LYS   B 17  ? 0.205453  0.351679  0.365166  -0.01373    0.0383661   0.0449119   29  LYS   B CG   
2187 C CD   . LYS   B 17  ? 0.278854  0.412418  0.372067  -0.02812    0.102611    0.0445716   29  LYS   B CD   
2188 H H    . LYS   B 17  ? 0.14026   0.260512  0.257194  0.0437092   0.0300131   0.0464687   29  LYS   B H    
2189 H HA   . LYS   B 17  ? 0.163852  0.265078  0.242516  0.0226724   0.0303713   0.0530892   29  LYS   B HA   
2190 H HB2  . LYS   B 17  ? 0.205613  0.299591  0.262515  -0.00433638 0.0404703   0.054944    29  LYS   B HB2  
2191 H HB3  . LYS   B 17  ? 0.20444   0.295825  0.261484  -0.00235194 0.0400716   0.0541014   29  LYS   B HB3  
2192 H HG2  . LYS   B 17  ? 0.23198   0.343496  0.328288  -0.0134355  0.0500746   0.0442057   29  LYS   B HG2  
2193 H HG3  . LYS   B 17  ? 0.232324  0.347689  0.335408  -0.0138306  0.0516658   0.0399099   29  LYS   B HG3  
2194 H HD2  . LYS   B 17  ? 0.360323  0.360323  0.360323  0           0           0           29  LYS   B HD2  
2195 H HD3  . LYS   B 17  ? 0.360323  0.360323  0.360323  0           0           0           29  LYS   B HD3  
2196 N N    . ASP   B 18  ? 0.0913479 0.246473  0.240011  0.0422103   0.0305695   0.0535782   30  ASP   B N    
2197 C CA   . ASP   B 18  ? 0.0672757 0.270564  0.247358  0.0411304   0.0453606   0.042493    30  ASP   B CA   
2198 C C    . ASP   B 18  ? 0.102047  0.243974  0.219311  0.0288499   0.0461491   0.0529511   30  ASP   B C    
2199 O O    . ASP   B 18  ? 0.153543  0.276175  0.237148  0.0142509   0.0445621   0.0662392   30  ASP   B O    
2200 C CB   . ASP   B 18  ? 0.109301  0.28844   0.260573  0.0269201   0.0281975   0.0355157   30  ASP   B CB   
2201 C CG   . ASP   B 18  ? 0.140987  0.303262  0.236949  0.0349085   0.0357018   0.0517794   30  ASP   B CG   
2202 O OD1  . ASP   B 18  ? 0.135177  0.269391  0.22482   0.0165279   0.0631775   0.0733071   30  ASP   B OD1  
2203 O OD2  . ASP   B 18  ? 0.161568  0.335249  0.281483  0.00832656  0.104056    0.0524536   30  ASP   B OD2  
2204 H H    . ASP   B 18  ? 0.107233  0.245128  0.235474  0.0371532   0.0273965   0.0484159   30  ASP   B H    
2205 H HA   . ASP   B 18  ? 0.10024   0.25901   0.237825  0.0362696   0.0357812   0.0436987   30  ASP   B HA   
2206 H HB2  . ASP   B 18  ? 0.122962  0.282119  0.250663  0.0304217   0.0342883   0.0383816   30  ASP   B HB2  
2207 H HB3  . ASP   B 18  ? 0.123169  0.282165  0.251617  0.0308425   0.0341468   0.037929    30  ASP   B HB3  
2208 N N    . ARG   B 19  ? 0.138114  0.222046  0.18249   0.0287421   0.0456134   0.0512235   31  ARG   B N    
2209 C CA   . ARG   B 19  ? 0.175407  0.242449  0.192744  0.00311226  0.0251002   0.0499431   31  ARG   B CA   
2210 C C    . ARG   B 19  ? 0.179174  0.216811  0.204004  0.0081301   0.0307802   0.056235    31  ARG   B C    
2211 O O    . ARG   B 19  ? 0.163666  0.202506  0.23242   -0.00828072 0.0359454   0.0433212   31  ARG   B O    
2212 C CB   . ARG   B 19  ? 0.20488   0.252078  0.193638  -0.0247371  0.02219     0.0362344   31  ARG   B CB   
2213 C CG   . ARG   B 19  ? 0.208517  0.274164  0.223079  -0.0616234  -0.00319532 0.0566877   31  ARG   B CG   
2214 C CD   . ARG   B 19  ? 0.19683   0.309582  0.272541  -0.0433984  -0.0310309  0.0378092   31  ARG   B CD   
2215 N NE   . ARG   B 19  ? 0.203695  0.307207  0.300106  -0.0587337  -0.0707503  0.0212134   31  ARG   B NE   
2216 C CZ   . ARG   B 19  ? 0.223132  0.290009  0.281847  -0.0220011  -0.0758067  0.0436083   31  ARG   B CZ   
2217 N NH1  . ARG   B 19  ? 0.262077  0.28609   0.336919  -0.0112876  -0.0707827  0.062852    31  ARG   B NH1  
2218 N NH2  . ARG   B 19  ? 0.25022   0.301239  0.298004  -0.0480098  -0.0743166  0.033482    31  ARG   B NH2  
2219 H H    . ARG   B 19  ? 0.141113  0.225642  0.192566  0.0198852   0.038553    0.0461796   31  ARG   B H    
2220 H HA   . ARG   B 19  ? 0.179066  0.232447  0.195425  0.00361998  0.0257337   0.0431462   31  ARG   B HA   
2221 H HB2  . ARG   B 19  ? 0.199815  0.250351  0.202693  -0.0212054  0.0168176   0.0384674   31  ARG   B HB2  
2222 H HB3  . ARG   B 19  ? 0.200502  0.249721  0.203052  -0.0217795  0.0162492   0.0383905   31  ARG   B HB3  
2223 H HG2  . ARG   B 19  ? 0.212849  0.271685  0.228882  -0.0430823  -0.00291588 0.0425936   31  ARG   B HG2  
2224 H HG3  . ARG   B 19  ? 0.209635  0.269475  0.228029  -0.0421916  -0.00138967 0.04214     31  ARG   B HG3  
2225 H HD2  . ARG   B 19  ? 0.209099  0.296108  0.269767  -0.0433138  -0.0275147  0.0335526   31  ARG   B HD2  
2226 H HD3  . ARG   B 19  ? 0.206627  0.295606  0.267031  -0.042573   -0.0261037  0.0335037   31  ARG   B HD3  
2227 H HE   . ARG   B 19  ? 0.217678  0.300919  0.290264  -0.0385832  -0.0550732  0.0258675   31  ARG   B HE   
2228 H HH11 . ARG   B 19  ? 0.252762  0.288716  0.312566  -0.0148288  -0.0609022  0.0489507   31  ARG   B HH11 
2229 H HH12 . ARG   B 19  ? 0.254848  0.290382  0.314783  -0.0149335  -0.062884   0.0499735   31  ARG   B HH12 
2230 H HH21 . ARG   B 19  ? 0.247836  0.296542  0.293114  -0.03374    -0.0651763  0.031549    31  ARG   B HH21 
2231 H HH22 . ARG   B 19  ? 0.247934  0.296836  0.293234  -0.0342991  -0.0650548  0.0327745   31  ARG   B HH22 
2232 N N    . GLY   B 20  ? 0.184694  0.219376  0.211852  0.0242522   0.00289695  0.059497    32  GLY   B N    
2233 C CA   . GLY   B 20  ? 0.200742  0.235037  0.229899  0.0288137   -0.00680191 0.0615145   32  GLY   B CA   
2234 C C    . GLY   B 20  ? 0.153467  0.23286   0.213903  0.0167899   0.0196927   0.0558816   32  GLY   B C    
2235 O O    . GLY   B 20  ? 0.12589   0.26921   0.213052  0.0215541   0.00248741  0.0614878   32  GLY   B O    
2236 H H    . GLY   B 20  ? 0.18709   0.220426  0.212039  0.0181525   0.00842315  0.0512706   32  GLY   B H    
2237 H HA2  . GLY   B 20  ? 0.195321  0.233964  0.223286  0.0249078   0.00075841  0.0503139   32  GLY   B HA2  
2238 H HA3  . GLY   B 20  ? 0.189787  0.232717  0.222424  0.0216986   0.00347617  0.0517409   32  GLY   B HA3  
2239 N N    . VAL   B 21  ? 0.130091  0.191262  0.168364  0.0145201   0.0172656   0.0449363   33  VAL   B N    
2240 C CA   . VAL   B 21  ? 0.143736  0.202507  0.152928  0.00923483  0.0239787   0.0238259   33  VAL   B CA   
2241 C C    . VAL   B 21  ? 0.140853  0.209351  0.149962  0.0226182   0.00296767  0.0245936   33  VAL   B C    
2242 O O    . VAL   B 21  ? 0.137175  0.192436  0.202176  0.0144615   -0.0170221  0.0220534   33  VAL   B O    
2243 C CB   . VAL   B 21  ? 0.119876  0.244526  0.123859  0.00123305  0.0524056   0.0106357   33  VAL   B CB   
2244 C CG1  . VAL   B 21  ? 0.117906  0.241645  0.135183  -0.00920267 0.0621956   0.00757295  33  VAL   B CG1  
2245 C CG2  . VAL   B 21  ? 0.143631  0.264953  0.132488  -0.0297261  0.0500844   -0.00736455 33  VAL   B CG2  
2246 H H    . VAL   B 21  ? 0.140602  0.194157  0.168923  0.013004    0.0171983   0.0402253   33  VAL   B H    
2247 H HA   . VAL   B 21  ? 0.140237  0.204239  0.152188  0.00997493  0.0220791   0.0237098   33  VAL   B HA   
2248 H HB   . VAL   B 21  ? 0.133617  0.231757  0.137945  -0.00252741 0.0444192   0.00981311  33  VAL   B HB   
2249 H HG11 . VAL   B 21  ? 0.125529  0.234     0.137119  -0.00391909 0.0541013   0.0092137   33  VAL   B HG11 
2250 H HG12 . VAL   B 21  ? 0.125635  0.234167  0.136407  -0.00367932 0.0540209   0.00887222  33  VAL   B HG12 
2251 H HG13 . VAL   B 21  ? 0.124374  0.233635  0.136851  -0.00472097 0.0532392   0.0085758   33  VAL   B HG13 
2252 H HG21 . VAL   B 21  ? 0.141818  0.2514    0.137575  -0.0176492  0.045774    -0.00056686 33  VAL   B HG21 
2253 H HG22 . VAL   B 21  ? 0.146948  0.254343  0.138246  -0.0189235  0.046816    0.00022926  33  VAL   B HG22 
2254 H HG23 . VAL   B 21  ? 0.144034  0.253456  0.138656  -0.0159795  0.0465841   -0.00093222 33  VAL   B HG23 
2255 N N    . LEU   B 22  ? 0.14607   0.222015  0.156392  0.0246089   -0.00702377 0.0151727   34  LEU   B N    
2256 C CA   . LEU   B 22  ? 0.120649  0.221184  0.170836  0.0156475   -0.00074135 0.0188884   34  LEU   B CA   
2257 C C    . LEU   B 22  ? 0.0861769 0.219977  0.137421  -0.0005005  0.0489922   0.0109451   34  LEU   B C    
2258 O O    . LEU   B 22  ? 0.0833196 0.214062  0.160581  0.0344943   0.0427176   0.0147009   34  LEU   B O    
2259 C CB   . LEU   B 22  ? 0.0896401 0.238114  0.203048  -0.00147929 0.0056593   0.0285225   34  LEU   B CB   
2260 C CG   . LEU   B 22  ? 0.0879714 0.244629  0.22304   -0.00102503 -0.0123147  0.0297465   34  LEU   B CG   
2261 C CD1  . LEU   B 22  ? 0.116793  0.2745    0.24662   -0.0108911  -0.0336954  0.0306909   34  LEU   B CD1  
2262 C CD2  . LEU   B 22  ? 0.0905732 0.289934  0.234348  -0.0214306  0.00112844  0.0390364   34  LEU   B CD2  
2263 H H    . LEU   B 22  ? 0.144029  0.215735  0.162248  0.0201651   -0.00163584 0.0147948   34  LEU   B H    
2264 H HA   . LEU   B 22  ? 0.121472  0.219661  0.168983  0.0107007   0.010232    0.0167988   34  LEU   B HA   
2265 H HB2  . LEU   B 22  ? 0.108719  0.230537  0.197772  0.00419093  0.00339087  0.0246086   34  LEU   B HB2  
2266 H HB3  . LEU   B 22  ? 0.108617  0.230572  0.19754   0.00422826  0.00350743  0.0245915   34  LEU   B HB3  
2267 H HG   . LEU   B 22  ? 0.107987  0.249136  0.217708  -0.00251272 -0.00407192 0.0277433   34  LEU   B HG   
2268 H HD11 . LEU   B 22  ? 0.124311  0.263673  0.239429  -0.0050694  -0.0196805  0.0265084   34  LEU   B HD11 
2269 H HD12 . LEU   B 22  ? 0.127928  0.263439  0.237828  -0.00727218 -0.0194427  0.0280301   34  LEU   B HD12 
2270 H HD13 . LEU   B 22  ? 0.12433   0.262368  0.238647  -0.00529629 -0.0196734  0.0285339   34  LEU   B HD13 
2271 H HD21 . LEU   B 22  ? 0.108272  0.266608  0.228622  -0.0115141  0.00130842  0.0332749   34  LEU   B HD21 
2272 H HD22 . LEU   B 22  ? 0.108559  0.269201  0.229843  -0.0104135  0.00177131  0.0340064   34  LEU   B HD22 
2273 H HD23 . LEU   B 22  ? 0.111111  0.269758  0.229687  -0.0114368  0.0019159   0.0338742   34  LEU   B HD23 
2274 N N    . LYS   B 23  ? 0.110939  0.214265  0.128329  -0.00797181 0.0502879   0.0200977   35  LYS   B N    
2275 C CA   . LYS   B 23  ? 0.153592  0.202855  0.163086  0.0102871   0.0413726   0.00349005  35  LYS   B CA   
2276 C C    . LYS   B 23  ? 0.151119  0.216501  0.147861  -0.00896225 0.0323958   0.00701136  35  LYS   B C    
2277 O O    . LYS   B 23  ? 0.178593  0.21057   0.176493  0.00217828  0.00430975  0.017292    35  LYS   B O    
2278 C CB   . LYS   B 23  ? 0.124085  0.212921  0.156307  0.0130662   0.0672718   -0.00764387 35  LYS   B CB   
2279 C CG   . LYS   B 23  ? 0.125641  0.224098  0.185807  0.00826039  0.0762011   -0.00183784 35  LYS   B CG   
2280 C CD   . LYS   B 23  ? 0.149608  0.216113  0.168022  -0.00423338 0.0627833   0.0105579   35  LYS   B CD   
2281 C CE   . LYS   B 23  ? 0.144928  0.226858  0.163876  -0.002411   0.0590543   0.00367882  35  LYS   B CE   
2282 N NZ   . LYS   B 23  ? 0.183752  0.236585  0.118446  -0.0117234  0.066146    -0.00417178 35  LYS   B NZ   
2283 H H    . LYS   B 23  ? 0.118308  0.206158  0.138118  -0.00010166 0.0424672   0.0152743   35  LYS   B H    
2284 H HA   . LYS   B 23  ? 0.14326   0.207301  0.155593  0.00360179  0.0414946   0.00436043  35  LYS   B HA   
2285 H HB2  . LYS   B 23  ? 0.135502  0.206569  0.159708  0.010946    0.0572502   -0.00530797 35  LYS   B HB2  
2286 H HB3  . LYS   B 23  ? 0.135509  0.207651  0.163359  0.0106953   0.0567513   -0.00326306 35  LYS   B HB3  
2287 H HG2  . LYS   B 23  ? 0.137232  0.216862  0.177523  0.00628302  0.0630649   0.00099623  35  LYS   B HG2  
2288 H HG3  . LYS   B 23  ? 0.136976  0.217717  0.177949  0.00615592  0.0639593   -0.00190101 35  LYS   B HG3  
2289 H HD2  . LYS   B 23  ? 0.147689  0.216289  0.171947  -0.00029191 0.0583343   0.00622186  35  LYS   B HD2  
2290 H HD3  . LYS   B 23  ? 0.147672  0.215147  0.16974   -0.00015533 0.0582334   0.00743502  35  LYS   B HD3  
2291 H HE2  . LYS   B 23  ? 0.158235  0.222379  0.158317  -0.00373039 0.0556924   0.00390267  35  LYS   B HE2  
2292 H HE3  . LYS   B 23  ? 0.158417  0.22218   0.160281  -0.0039185  0.0560515   0.00274876  35  LYS   B HE3  
2293 H HZ1  . LYS   B 23  ? 0.17451   0.227011  0.133522  -0.00707642 0.0568564   0.00103628  35  LYS   B HZ1  
2294 H HZ2  . LYS   B 23  ? 0.17464   0.225535  0.136784  -0.00734044 0.0574086   -0.00164801 35  LYS   B HZ2  
2295 H HZ3  . LYS   B 23  ? 0.177997  0.228498  0.1377    -0.00907271 0.0576497   -0.00056141 35  LYS   B HZ3  
2296 N N    . ILE   B 24  ? 0.212094  0.213827  0.153823  0.00252572  0.0245105   0.0195771   36  ILE   B N    
2297 C CA   . ILE   B 24  ? 0.23418   0.205096  0.165056  0.00241392  0.0156432   -0.0208882  36  ILE   B CA   
2298 C C    . ILE   B 24  ? 0.228981  0.196837  0.127072  0.00365681  0.031129    -0.0155259  36  ILE   B C    
2299 O O    . ILE   B 24  ? 0.220112  0.239395  0.152529  0.0317908   0.00886514  -0.0195322  36  ILE   B O    
2300 C CB   . ILE   B 24  ? 0.241239  0.225453  0.224386  -0.00517631 0.00196456  -0.0226576  36  ILE   B CB   
2301 C CG1  . ILE   B 24  ? 0.267114  0.245983  0.290942  -0.0085518  -0.0390738  -0.0316581  36  ILE   B CG1  
2302 C CG2  . ILE   B 24  ? 0.287902  0.233771  0.286754  0.0315313   -0.0216856  -0.0373707  36  ILE   B CG2  
2303 C CD1  . ILE   B 24  ? 0.275763  0.299186  0.354283  -0.022748   -0.066427   -0.0494233  36  ILE   B CD1  
2304 H H    . ILE   B 24  ? 0.197897  0.209655  0.154781  1.329e-05   0.0229594   0.00946664  36  ILE   B H    
2305 H HA   . ILE   B 24  ? 0.226388  0.21146   0.171331  0.0018002   0.0179576   -0.0112611  36  ILE   B HA   
2306 H HB   . ILE   B 24  ? 0.247639  0.226215  0.227572  0.00190724  -0.00365342 -0.0210091  36  ILE   B HB   
2307 H HG12 . ILE   B 24  ? 0.262524  0.254505  0.282655  -0.00880194 -0.0284963  -0.0280812  36  ILE   B HG12 
2308 H HG13 . ILE   B 24  ? 0.262977  0.254931  0.283997  -0.00934933 -0.0293429  -0.026985   36  ILE   B HG13 
2309 H HG21 . ILE   B 24  ? 0.273372  0.243533  0.2676    0.0196121   -0.0102246  -0.0283278  36  ILE   B HG21 
2310 H HG22 . ILE   B 24  ? 0.272261  0.242276  0.271986  0.0183548   -0.0107806  -0.0326657  36  ILE   B HG22 
2311 H HG23 . ILE   B 24  ? 0.274107  0.239697  0.264874  0.0173591   -0.00919211 -0.0288354  36  ILE   B HG23 
2312 H HD11 . ILE   B 24  ? 0.278475  0.292067  0.336743  -0.0152105  -0.049503   -0.0418511  36  ILE   B HD11 
2313 H HD12 . ILE   B 24  ? 0.279114  0.28859   0.332331  -0.0157924  -0.048957   -0.0376601  36  ILE   B HD12 
2314 H HD13 . ILE   B 24  ? 0.279892  0.289064  0.33664   -0.0162076  -0.0514768  -0.0354342  36  ILE   B HD13 
2315 N N    . VAL   B 25  ? 0.256651  0.193768  0.126519  0.00551488  0.0409235   -0.00208281 37  VAL   B N    
2316 C CA   . VAL   B 25  ? 0.257277  0.220255  0.138519  -0.00530569 0.0350995   -0.0142549  37  VAL   B CA   
2317 C C    . VAL   B 25  ? 0.268062  0.229313  0.134323  0.00535679  0.0088529   -0.0407315  37  VAL   B C    
2318 O O    . VAL   B 25  ? 0.368119  0.262014  0.100948  0.0108682   0.0248156   -0.0392842  37  VAL   B O    
2319 C CB   . VAL   B 25  ? 0.214812  0.259844  0.158     -0.00034232 0.077478    -0.0189879  37  VAL   B CB   
2320 C CG1  . VAL   B 25  ? 0.219925  0.267093  0.193496  0.00785586  0.0845405   -0.0226887  37  VAL   B CG1  
2321 C CG2  . VAL   B 25  ? 0.215959  0.271801  0.135536  -0.0156255  0.104835    0.00063317  37  VAL   B CG2  
2322 H H    . VAL   B 25  ? 0.241741  0.200922  0.136978  0.00483278  0.0337731   -0.00317488 37  VAL   B H    
2323 H HA   . VAL   B 25  ? 0.246332  0.223424  0.146469  0.00148541  0.0352999   -0.0134811  37  VAL   B HA   
2324 H HB   . VAL   B 25  ? 0.223417  0.250691  0.163996  -0.00154827 0.0677712   -0.0119284  37  VAL   B HB   
2325 H HG11 . VAL   B 25  ? 0.220412  0.261254  0.19273   0.00514077  0.0739843   -0.0188312  37  VAL   B HG11 
2326 H HG12 . VAL   B 25  ? 0.220223  0.261605  0.189313  0.00529398  0.072547    -0.0180653  37  VAL   B HG12 
2327 H HG13 . VAL   B 25  ? 0.220681  0.261971  0.189831  0.00604989  0.0721923   -0.0190122  37  VAL   B HG13 
2328 H HG21 . VAL   B 25  ? 0.211783  0.258414  0.149144  -0.0120349  0.0890683   0.00029662  37  VAL   B HG21 
2329 H HG22 . VAL   B 25  ? 0.216054  0.261142  0.15112   -0.00953474 0.0865453   -0.00216425 37  VAL   B HG22 
2330 H HG23 . VAL   B 25  ? 0.214612  0.261256  0.149877  -0.00917597 0.0861283   -0.00209882 37  VAL   B HG23 
2331 N N    . LYS   B 26  ? 0.278216  0.246763  0.155897  0.0120009   0.017214    -0.0448256  38  LYS   B N    
2332 C CA   . LYS   B 26  ? 0.287922  0.239529  0.213692  0.0174095   0.00666309  -0.0431196  38  LYS   B CA   
2333 C C    . LYS   B 26  ? 0.307243  0.256371  0.198098  0.00189663  0.0360812   -0.0867698  38  LYS   B C    
2334 O O    . LYS   B 26  ? 0.304667  0.273678  0.285013  -0.0153193  0.0356257   -0.127396   38  LYS   B O    
2335 C CB   . LYS   B 26  ? 0.326232  0.225345  0.224192  0.03518     -0.0138853  -0.026455   38  LYS   B CB   
2336 C CG   . LYS   B 26  ? 0.331967  0.250382  0.210507  0.0169885   -0.02878    -0.0106504  38  LYS   B CG   
2337 C CD   . LYS   B 26  ? 0.342668  0.282012  0.23463   0.0207395   -0.0474504  0.0247065   38  LYS   B CD   
2338 C CE   . LYS   B 26  ? 0.357219  0.292535  0.209781  0.0229307   -0.0597043  0.0230503   38  LYS   B CE   
2339 N NZ   . LYS   B 26  ? 0.366816  0.305502  0.190094  -0.0244969  -0.0250015  0.0559847   38  LYS   B NZ   
2340 H H    . LYS   B 26  ? 0.270196  0.240793  0.16635   0.0109111   0.012951    -0.037253   38  LYS   B H    
2341 H HA   . LYS   B 26  ? 0.28965   0.245048  0.206242  0.015693    0.0108566   -0.0398607  38  LYS   B HA   
2342 H HB2  . LYS   B 26  ? 0.310717  0.239011  0.225754  0.0250899   -0.00762047 -0.0219245  38  LYS   B HB2  
2343 H HB3  . LYS   B 26  ? 0.31      0.233852  0.224511  0.0257371   -0.00780977 -0.023699   38  LYS   B HB3  
2344 H HG2  . LYS   B 26  ? 0.323827  0.252115  0.224997  0.020957    -0.0225794  -0.0058754  38  LYS   B HG2  
2345 H HG3  . LYS   B 26  ? 0.323927  0.253982  0.225112  0.0206155   -0.0226115  -0.00442887 38  LYS   B HG3  
2346 H HD2  . LYS   B 26  ? 0.335231  0.279205  0.232256  0.019025    -0.0362303  0.0137037   38  LYS   B HD2  
2347 H HD3  . LYS   B 26  ? 0.337082  0.280064  0.232393  0.0188501   -0.0373701  0.0145818   38  LYS   B HD3  
2348 H HE2  . LYS   B 26  ? 0.347746  0.296884  0.225539  0.0123055   -0.0397341  0.0254508   38  LYS   B HE2  
2349 H HE3  . LYS   B 26  ? 0.347683  0.294828  0.222974  0.0119559   -0.0392466  0.0274839   38  LYS   B HE3  
2350 H HZ1  . LYS   B 26  ? 0.354244  0.301827  0.208164  -0.00595963 -0.0268762  0.0428499   38  LYS   B HZ1  
2351 H HZ2  . LYS   B 26  ? 0.35476   0.298046  0.202119  -0.00688411 -0.026049   0.0477662   38  LYS   B HZ2  
2352 H HZ3  . LYS   B 26  ? 0.354945  0.303803  0.208457  -0.00615565 -0.0271741  0.0435254   38  LYS   B HZ3  
2353 N N    . ARG   B 27  ? 0.280182  0.259625  0.140102  -0.00079566 0.0776405   -0.0444923  39  ARG   B N    
2354 C CA   . ARG   B 27  ? 0.3034    0.283657  0.191073  0.0111548   0.0482757   -0.0754843  39  ARG   B CA   
2355 C C    . ARG   B 27  ? 0.269098  0.3038    0.200682  -0.00491021 0.0637244   -0.0523889  39  ARG   B C    
2356 O O    . ARG   B 27  ? 0.204557  0.278146  0.208703  -0.0354448  0.0632578   -0.0269978  39  ARG   B O    
2357 C CB   . ARG   B 27  ? 0.314807  0.315865  0.175382  0.0346777   0.0246763   -0.088066   39  ARG   B CB   
2358 C CG   . ARG   B 27  ? 0.340683  0.309652  0.213514  0.0766965   0.0362488   -0.0936039  39  ARG   B CG   
2359 C CD   . ARG   B 27  ? 0.347466  0.3757    0.262168  0.0860506   0.0327124   -0.0731505  39  ARG   B CD   
2360 N NE   . ARG   B 27  ? 0.342706  0.344275  0.304347  0.116708    -0.0246187  -0.0364601  39  ARG   B NE   
2361 C CZ   . ARG   B 27  ? 0.402512  0.319597  0.357373  0.119797    -0.0169971  -0.04936    39  ARG   B CZ   
2362 N NH1  . ARG   B 27  ? 0.46949   0.296478  0.390053  0.132221    0.00998853  -0.0473268  39  ARG   B NH1  
2363 N NH2  . ARG   B 27  ? 0.406113  0.325819  0.3734    0.170346    -0.0523088  -0.0866307  39  ARG   B NH2  
2364 H H    . ARG   B 27  ? 0.282875  0.257334  0.170658  0.00519349  0.0567358   -0.0534398  39  ARG   B H    
2365 H HA   . ARG   B 27  ? 0.290277  0.285726  0.189823  0.0100731   0.0486712   -0.0572199  39  ARG   B HA   
2366 H HB2  . ARG   B 27  ? 0.310902  0.303711  0.196548  0.0349926   0.0313267   -0.0736441  39  ARG   B HB2  
2367 H HB3  . ARG   B 27  ? 0.310719  0.302791  0.186726  0.0351427   0.0315075   -0.0768094  39  ARG   B HB3  
2368 H HG2  . ARG   B 27  ? 0.327181  0.31813   0.222438  0.0590687   0.031356    -0.0747509  39  ARG   B HG2  
2369 H HG3  . ARG   B 27  ? 0.328007  0.319916  0.216731  0.0602743   0.0313335   -0.0765796  39  ARG   B HG3  
2370 H HD2  . ARG   B 27  ? 0.338692  0.350556  0.267114  0.0805901   0.0224727   -0.0601841  39  ARG   B HD2  
2371 H HD3  . ARG   B 27  ? 0.342904  0.351815  0.269397  0.0808526   0.020392    -0.0597389  39  ARG   B HD3  
2372 H HE   . ARG   B 27  ? 0.351658  0.3458    0.308204  0.0958021   -0.00577019 -0.0420896  39  ARG   B HE   
2373 H HH11 . ARG   B 27  ? 0.43527   0.322918  0.382889  0.112858    0.00593966  -0.0378971  39  ARG   B HH11 
2374 H HH12 . ARG   B 27  ? 0.436854  0.321945  0.385235  0.112674    0.00508304  -0.0412171  39  ARG   B HH12 
2375 H HH21 . ARG   B 27  ? 0.396488  0.335094  0.367226  0.132444    -0.032071   -0.0628675  39  ARG   B HH21 
2376 H HH22 . ARG   B 27  ? 0.398883  0.333198  0.370095  0.13334     -0.0324858  -0.0636037  39  ARG   B HH22 
2377 N N    . VAL   B 28  ? 0.29547   0.315161  0.161511  0.0235114   0.0637995   -0.0622653  40  VAL   B N    
2378 C CA   . VAL   B 28  ? 0.282898  0.358977  0.151035  0.0264561   0.0931325   -0.0583586  40  VAL   B CA   
2379 C C    . VAL   B 28  ? 0.260076  0.333069  0.158113  0.051029    0.108065    -0.0654778  40  VAL   B C    
2380 O O    . VAL   B 28  ? 0.275152  0.329805  0.249875  0.0818479   0.0881526   -0.0772856  40  VAL   B O    
2381 C CB   . VAL   B 28  ? 0.3664    0.408768  0.160259  -0.00036049 0.0834161   -0.0486604  40  VAL   B CB   
2382 C CG1  . VAL   B 28  ? 0.37381   0.470466  0.180089  -0.0183717  0.116857    -0.0375351  40  VAL   B CG1  
2383 C CG2  . VAL   B 28  ? 0.386484  0.446009  0.182289  -0.0192277  0.0856145   -0.040257   40  VAL   B CG2  
2384 H H    . VAL   B 28  ? 0.285275  0.311235  0.175925  0.0165843   0.0640496   -0.055466   40  VAL   B H    
2385 H HA   . VAL   B 28  ? 0.289497  0.341279  0.173212  0.0272677   0.0817003   -0.0487206  40  VAL   B HA   
2386 H HB   . VAL   B 28  ? 0.348717  0.403814  0.189084  0.00448383  0.0848763   -0.0362565  40  VAL   B HB   
2387 H HG11 . VAL   B 28  ? 0.372403  0.445062  0.201661  -0.00735299 0.0970145   -0.0271832  40  VAL   B HG11 
2388 H HG12 . VAL   B 28  ? 0.370942  0.44076   0.2006    -0.0053709  0.0981992   -0.0293211  40  VAL   B HG12 
2389 H HG13 . VAL   B 28  ? 0.371325  0.441575  0.196403  -0.00561036 0.0986387   -0.0281048  40  VAL   B HG13 
2390 H HG21 . VAL   B 28  ? 0.377487  0.42666   0.200236  -0.00698142 0.0794534   -0.0301025  40  VAL   B HG21 
2391 H HG22 . VAL   B 28  ? 0.375964  0.424044  0.202234  -0.0071923  0.0788221   -0.0309625  40  VAL   B HG22 
2392 H HG23 . VAL   B 28  ? 0.378931  0.429877  0.203246  -0.00888081 0.0778339   -0.0290448  40  VAL   B HG23 
2393 N N    . GLY   B 29  ? 0.26391   0.32926   0.1751    0.0569878   0.0895847   -0.0403001  41  GLY   B N    
2394 C CA   . GLY   B 29  ? 0.294494  0.348153  0.126908  0.0203002   0.0958799   -0.0551391  41  GLY   B CA   
2395 C C    . GLY   B 29  ? 0.299593  0.3696    0.145885  0.0163911   0.0905183   -0.0456558  41  GLY   B C    
2396 O O    . GLY   B 29  ? 0.268532  0.394094  0.131341  0.00349051  0.113207    -0.0279445  41  GLY   B O    
2397 H H    . GLY   B 29  ? 0.266362  0.322584  0.173927  0.0474463   0.0866109   -0.040881   41  GLY   B H    
2398 H HA2  . GLY   B 29  ? 0.286179  0.339867  0.158936  0.0283916   0.0862762   -0.0413146  41  GLY   B HA2  
2399 H HA3  . GLY   B 29  ? 0.285565  0.333637  0.149419  0.0298907   0.0883499   -0.0477453  41  GLY   B HA3  
2400 N N    . ASN   B 30  ? 0.261952  0.381904  0.173984  0.0162701   0.108969    -0.0327309  42  ASN   B N    
2401 C CA   . ASN   B 30  ? 0.288542  0.401739  0.285282  -0.0032956  0.0872664   -0.0165385  42  ASN   B CA   
2402 C C    . ASN   B 30  ? 0.290307  0.37557   0.279015  -0.0191685  0.129447    -0.0286129  42  ASN   B C    
2403 O O    . ASN   B 30  ? 0.329045  0.447858  0.312325  -0.0546299  0.159232    -0.0930457  42  ASN   B O    
2404 C CB   . ASN   B 30  ? 0.325239  0.438654  0.376575  0.0457749   0.0965504   -0.00805292 42  ASN   B CB   
2405 C CG   . ASN   B 30  ? 0.379137  0.510157  0.41678   0.0658524   0.0931352   0.0160333   42  ASN   B CG   
2406 O OD1  . ASN   B 30  ? 0.534828  0.594309  0.381499  0.0724239   0.0598788   0.0210126   42  ASN   B OD1  
2407 N ND2  . ASN   B 30  ? 0.440078  0.558202  0.46808   0.0712773   0.0687192   0.0309002   42  ASN   B ND2  
2408 H H    . ASN   B 30  ? 0.277859  0.370592  0.18486   0.0137031   0.0925755   -0.0264332  42  ASN   B H    
2409 H HA   . ASN   B 30  ? 0.292658  0.390753  0.284827  0.0056368   0.090966    -0.0147644  42  ASN   B HA   
2410 H HB2  . ASN   B 30  ? 0.331186  0.434924  0.36463   0.0323986   0.0840209   -0.00142224 42  ASN   B HB2  
2411 H HB3  . ASN   B 30  ? 0.331729  0.433766  0.360526  0.0324199   0.0826984   -0.00373818 42  ASN   B HB3  
2412 H HD21 . ASN   B 30  ? 0.428603  0.541963  0.456316  0.0613636   0.068905    0.0212371   42  ASN   B HD21 
2413 H HD22 . ASN   B 30  ? 0.424673  0.534491  0.458996  0.0590074   0.0694072   0.0181432   42  ASN   B HD22 
2414 N N    . GLY   B 31  ? 0.277291  0.364921  0.3238    -0.0484963  0.166446    -0.0472785  43  GLY   B N    
2415 C CA   . GLY   B 31  ? 0.318411  0.372653  0.357259  -0.0429166  0.18721     -0.0330391  43  GLY   B CA   
2416 C C    . GLY   B 31  ? 0.371569  0.370757  0.362418  -0.0511813  0.19904     -0.0331543  43  GLY   B C    
2417 O O    . GLY   B 31  ? 0.389344  0.46555   0.266338  0.00923962  0.135828    -0.0141372  43  GLY   B O    
2418 H H    . GLY   B 31  ? 0.291141  0.363879  0.315424  -0.0336725  0.14159     -0.0361996  43  GLY   B H    
2419 H HA2  . GLY   B 31  ? 0.317142  0.369309  0.345006  -0.0412754  0.16297     -0.0306399  43  GLY   B HA2  
2420 H HA3  . GLY   B 31  ? 0.320005  0.370474  0.349992  -0.0399741  0.161834    -0.03181    43  GLY   B HA3  
2421 N N    . GLU   B 32  ? 0.375814  0.342947  0.254306  -0.0570246  0.256858    -0.0130009  44  GLU   B N    
2422 C CA   . GLU   B 32  ? 0.389918  0.359776  0.196089  -0.0562321  0.195091    -0.00789577 44  GLU   B CA   
2423 C C    . GLU   B 32  ? 0.306144  0.325034  0.152002  -0.0460701  0.163971    0.0158071   44  GLU   B C    
2424 O O    . GLU   B 32  ? 0.325834  0.289518  0.213055  -0.0168059  0.0938191   0.00739007  44  GLU   B O    
2425 C CB   . GLU   B 32  ? 0.452669  0.350929  0.20744   -0.0676263  0.116718    0.0469561   44  GLU   B CB   
2426 H H    . GLU   B 32  ? 0.369761  0.35199   0.272497  -0.0462684  0.20047     -0.01223    44  GLU   B H    
2427 H HA   . GLU   B 32  ? 0.368727  0.348197  0.21763   -0.0458685  0.165466    0.00734344  44  GLU   B HA   
2428 H HB2  . GLU   B 32  ? 0.341452  0.341452  0.341452  0           0           0           44  GLU   B HB2  
2429 H HB3  . GLU   B 32  ? 0.341452  0.341452  0.341452  0           0           0           44  GLU   B HB3  
2430 N N    . GLU   B 33  ? 0.2412    0.284609  0.197454  -0.0503141  0.149293    0.00844461  45  GLU   B N    
2431 C CA   . GLU   B 33  ? 0.233791  0.285216  0.216298  -0.0177675  0.11294     -0.00595491 45  GLU   B CA   
2432 C C    . GLU   B 33  ? 0.205196  0.234999  0.204102  -0.00447646 0.100312    0.00027658  45  GLU   B C    
2433 O O    . GLU   B 33  ? 0.17557   0.216328  0.204958  -0.00960091 0.112579    0.0183088   45  GLU   B O    
2434 C CB   . GLU   B 33  ? 0.275621  0.389881  0.288544  -0.0346024  0.0834198   -0.0127931  45  GLU   B CB   
2435 C CG   . GLU   B 33  ? 0.38494   0.429533  0.384095  -0.0217245  0.0276102   -0.00470209 45  GLU   B CG   
2436 C CD   . GLU   B 33  ? 0.397026  0.495079  0.472927  -0.0048425  -0.0425619  -0.0533748  45  GLU   B CD   
2437 O OE1  . GLU   B 33  ? 0.385612  0.617533  0.549354  0.0432147   -0.0457862  -0.0378528  45  GLU   B OE1  
2438 O OE2  . GLU   B 33  ? 0.443361  0.447712  0.485032  -0.0260095  -0.0880435  -0.0356909  45  GLU   B OE2  
2439 H H    . GLU   B 33  ? 0.250047  0.289138  0.201246  -0.0339354  0.128986    0.00602969  45  GLU   B H    
2440 H HA   . GLU   B 33  ? 0.235616  0.280742  0.222751  -0.0198678  0.0995761   -0.00156201 45  GLU   B HA   
2441 H HB2  . GLU   B 33  ? 0.28793   0.364878  0.286401  -0.0275766  0.0721532   -0.00517969 45  GLU   B HB2  
2442 H HB3  . GLU   B 33  ? 0.285832  0.359371  0.288051  -0.0238745  0.0721365   -0.00716344 45  GLU   B HB3  
2443 H HG2  . GLU   B 33  ? 0.36236   0.427104  0.375885  -0.0200916  0.0271278   -0.0134577  45  GLU   B HG2  
2444 H HG3  . GLU   B 33  ? 0.366833  0.427438  0.382451  -0.0202856  0.0215832   -0.0121314  45  GLU   B HG3  
2445 N N    . THR   B 34  ? 0.206589  0.213689  0.171872  -0.024172   0.106562    0.00725537  46  THR   B N    
2446 C CA   . THR   B 34  ? 0.181537  0.215562  0.177355  -0.0237745  0.0974943   -0.00360071 46  THR   B CA   
2447 C C    . THR   B 34  ? 0.181137  0.214455  0.155995  -0.0150848  0.103542    -0.0114229  46  THR   B C    
2448 O O    . THR   B 34  ? 0.191906  0.250343  0.148115  -0.0155832  0.115023    -0.0145991  46  THR   B O    
2449 C CB   . THR   B 34  ? 0.181966  0.221979  0.176817  -0.0105326  0.0996242   0.00338501  46  THR   B CB   
2450 O OG1  . THR   B 34  ? 0.149567  0.222371  0.208189  -0.0311947  0.138165    0.0372332   46  THR   B OG1  
2451 C CG2  . THR   B 34  ? 0.163088  0.224244  0.18912   -0.0136908  0.0934483   -0.011303   46  THR   B CG2  
2452 H H    . THR   B 34  ? 0.198912  0.213647  0.182071  -0.0175474  0.0908852   0.00304032  46  THR   B H    
2453 H HA   . THR   B 34  ? 0.185212  0.214052  0.174472  -0.0171003  0.0888758   -0.00176127 46  THR   B HA   
2454 H HB   . THR   B 34  ? 0.174996  0.218936  0.186488  -0.0150141  0.0911187   0.00422001  46  THR   B HB   
2455 H HG1  . THR   B 34  ? 0.198716  0.198716  0.198716  0           0           0           46  THR   B HG1  
2456 H HG21 . THR   B 34  ? 0.168885  0.219979  0.186089  -0.0110307  0.0828167   -0.00563681 46  THR   B HG21 
2457 H HG22 . THR   B 34  ? 0.169747  0.219817  0.185411  -0.0117277  0.0837677   -0.00528612 46  THR   B HG22 
2458 H HG23 . THR   B 34  ? 0.170252  0.220288  0.186113  -0.0114442  0.0831381   -0.00590204 46  THR   B HG23 
2459 N N    . PRO   B 35  ? 0.1431    0.208269  0.150077  -0.00124898 0.0922001   -0.0190074  47  PRO   B N    
2460 C CA   . PRO   B 35  ? 0.160228  0.204849  0.146954  0.00204382  0.0940097   -0.0215267  47  PRO   B CA   
2461 C C    . PRO   B 35  ? 0.162915  0.201381  0.160979  -0.00114381 0.0760511   -0.015207   47  PRO   B C    
2462 O O    . PRO   B 35  ? 0.114523  0.231579  0.158072  -0.00915833 0.115474    -0.0222731  47  PRO   B O    
2463 C CB   . PRO   B 35  ? 0.171511  0.197066  0.147633  -0.0150178  0.0860674   -0.0206605  47  PRO   B CB   
2464 C CG   . PRO   B 35  ? 0.145134  0.224484  0.132349  -0.0206678  0.0918863   -0.0154725  47  PRO   B CG   
2465 C CD   . PRO   B 35  ? 0.12978   0.194527  0.1338    -0.00253791 0.102161    -0.03195    47  PRO   B CD   
2466 H HA   . PRO   B 35  ? 0.161094  0.201045  0.152904  -0.00211781 0.0786696   -0.0166094  47  PRO   B HA   
2467 H HB2  . PRO   B 35  ? 0.163434  0.202959  0.147472  -0.0107429  0.0789185   -0.0166044  47  PRO   B HB2  
2468 H HB3  . PRO   B 35  ? 0.163863  0.202886  0.147468  -0.0110805  0.0790515   -0.0166829  47  PRO   B HB3  
2469 H HG2  . PRO   B 35  ? 0.151602  0.207832  0.140396  -0.0133148  0.0824092   -0.0172666  47  PRO   B HG2  
2470 H HG3  . PRO   B 35  ? 0.150189  0.209625  0.140492  -0.012873   0.0828524   -0.0180424  47  PRO   B HG3  
2471 H HD2  . PRO   B 35  ? 0.136202  0.197655  0.138525  -0.00441477 0.0858693   -0.0215466  47  PRO   B HD2  
2472 H HD3  . PRO   B 35  ? 0.134748  0.193405  0.138183  -0.00110361 0.0880509   -0.0232175  47  PRO   B HD3  
2473 N N    . MET   B 36  ? 0.164917  0.210681  0.171786  -0.0141868  0.0647637   0.00187866  48  MET   B N    
2474 C CA   . MET   B 36  ? 0.168856  0.211587  0.157361  -0.0143053  0.0454326   -4.301e-05  48  MET   B CA   
2475 C C    . MET   B 36  ? 0.123027  0.209225  0.163159  -0.0214851  0.0399369   0.00628974  48  MET   B C    
2476 O O    . MET   B 36  ? 0.128707  0.204795  0.197774  -0.0332189  0.0559509   0.0198827   48  MET   B O    
2477 C CB   . MET   B 36  ? 0.17454   0.221185  0.159007  -0.0177875  0.0476384   -0.00670681 48  MET   B CB   
2478 C CG   . MET   B 36  ? 0.196504  0.25891   0.191408  -0.0303548  0.046826    -0.00236826 48  MET   B CG   
2479 S SD   . MET   B 36  ? 0.187485  0.28826   0.202447  -0.0198019  0.0674427   0.0295146   48  MET   B SD   
2480 C CE   . MET   B 36  ? 0.18995   0.286356  0.238327  -0.0272484  0.106103    0.0324476   48  MET   B CE   
2481 H H    . MET   B 36  ? 0.167713  0.206656  0.167429  -0.00973583 0.0562773   -0.00251758 48  MET   B H    
2482 H HA   . MET   B 36  ? 0.161194  0.209443  0.163231  -0.0135865  0.0434677   0.00099805  48  MET   B HA   
2483 H HB2  . MET   B 36  ? 0.177009  0.221083  0.166481  -0.0159398  0.0412764   -0.00274673 48  MET   B HB2  
2484 H HB3  . MET   B 36  ? 0.177402  0.218964  0.166924  -0.0155241  0.0423963   -0.00395082 48  MET   B HB3  
2485 H HG2  . MET   B 36  ? 0.191677  0.250532  0.188041  -0.0220035  0.0452319   0.00343877  48  MET   B HG2  
2486 H HG3  . MET   B 36  ? 0.191844  0.249035  0.187695  -0.0215584  0.0453714   0.00257878  48  MET   B HG3  
2487 H HE1  . MET   B 36  ? 0.197131  0.282769  0.232626  -0.0225736  0.0860206   0.0265764   48  MET   B HE1  
2488 H HE2  . MET   B 36  ? 0.1965    0.281247  0.230627  -0.021704   0.0850031   0.027859    48  MET   B HE2  
2489 H HE3  . MET   B 36  ? 0.197331  0.281968  0.23075   -0.0213732  0.0851765   0.0281272   48  MET   B HE3  
2490 N N    . ILE   B 37  ? 0.162947  0.20881   0.148647  -0.0174827  0.0503178   -0.00343626 49  ILE   B N    
2491 C CA   . ILE   B 37  ? 0.182977  0.222328  0.158177  -0.0252093  0.0693216   0.00676845  49  ILE   B CA   
2492 C C    . ILE   B 37  ? 0.174229  0.219598  0.157512  -0.0218294  0.0730561   -0.00829978 49  ILE   B C    
2493 O O    . ILE   B 37  ? 0.205417  0.236547  0.180875  -0.0496429  0.0652355   -0.0111285  49  ILE   B O    
2494 C CB   . ILE   B 37  ? 0.181285  0.256731  0.174447  -0.00720718 0.11366     0.00913608  49  ILE   B CB   
2495 C CG1  . ILE   B 37  ? 0.284835  0.348464  0.245947  0.00177659  0.112206    -0.00408669 49  ILE   B CG1  
2496 C CG2  . ILE   B 37  ? 0.178246  0.252378  0.181753  -0.00480074 0.118234    0.0252867   49  ILE   B CG2  
2497 C CD1  . ILE   B 37  ? 0.347845  0.383963  0.31351   -0.0210784  0.101719    0.0168161   49  ILE   B CD1  
2498 H H    . ILE   B 37  ? 0.159175  0.208457  0.156882  -0.0168047  0.0468787   0.00208641  49  ILE   B H    
2499 H HA   . ILE   B 37  ? 0.177523  0.218977  0.162495  -0.0182582  0.0654809   0.00278229  49  ILE   B HA   
2500 H HB   . ILE   B 37  ? 0.192413  0.249972  0.182428  -0.00896799 0.0932309   0.00960106  49  ILE   B HB   
2501 H HG12 . ILE   B 37  ? 0.260832  0.318344  0.242615  -0.00498436 0.0952642   0.00478997  49  ILE   B HG12 
2502 H HG13 . ILE   B 37  ? 0.263596  0.326738  0.240525  -0.00741263 0.0972681   0.00536063  49  ILE   B HG13 
2503 H HG21 . ILE   B 37  ? 0.182313  0.247758  0.18267   -0.00485536 0.102822    0.0183895   49  ILE   B HG21 
2504 H HG22 . ILE   B 37  ? 0.182632  0.247419  0.183246  -0.00581763 0.102903    0.0186706   49  ILE   B HG22 
2505 H HG23 . ILE   B 37  ? 0.181834  0.247843  0.182249  -0.00505181 0.10204     0.0183187   49  ILE   B HG23 
2506 H HD11 . ILE   B 37  ? 0.327456  0.368179  0.308315  -0.0124261  0.087642    0.0104789   49  ILE   B HD11 
2507 H HD12 . ILE   B 37  ? 0.332153  0.37074   0.303323  -0.0135127  0.0945775   0.00899453  49  ILE   B HD12 
2508 H HD13 . ILE   B 37  ? 0.326999  0.375318  0.297803  -0.015812   0.0912441   0.0107958   49  ILE   B HD13 
2509 N N    . GLY   B 38  ? 0.193487  0.229491  0.181256  -0.00019624 0.0542733   -0.0032488  50  GLY   B N    
2510 C CA   . GLY   B 38  ? 0.223722  0.244462  0.194235  -0.00991612 0.0550248   0.0088523   50  GLY   B CA   
2511 C C    . GLY   B 38  ? 0.195849  0.251482  0.182855  -0.00614898 0.0304712   0.0019797   50  GLY   B C    
2512 O O    . GLY   B 38  ? 0.283673  0.242572  0.174202  0.00525491  0.0104036   0.0231248   50  GLY   B O    
2513 H H    . GLY   B 38  ? 0.197156  0.228267  0.179748  -0.00486123 0.0525994   -0.00152051 50  GLY   B H    
2514 H HA2  . GLY   B 38  ? 0.210351  0.2407    0.191851  -0.00532042 0.0441109   0.00416084  50  GLY   B HA2  
2515 H HA3  . GLY   B 38  ? 0.210582  0.241438  0.19193   -0.00498973 0.0442214   0.00400344  50  GLY   B HA3  
2516 N N    . ASP   B 39  ? 0.176418  0.233336  0.185006  -0.0101628  0.012132    -0.0101229  51  ASP   B N    
2517 C CA   . ASP   B 39  ? 0.15447   0.235701  0.173484  -0.019636   0.0175582   -0.00755232 51  ASP   B CA   
2518 C C    . ASP   B 39  ? 0.127355  0.236635  0.189568  -0.0249015  0.0161382   0.00434507  51  ASP   B C    
2519 O O    . ASP   B 39  ? 0.130418  0.273551  0.166089  -0.0279828  0.0330005   0.0330163   51  ASP   B O    
2520 C CB   . ASP   B 39  ? 0.144665  0.235074  0.15553   -0.0168437  0.0399229   -0.00169768 51  ASP   B CB   
2521 C CG   . ASP   B 39  ? 0.178657  0.21449   0.178367  -0.0252581  0.0399651   -0.0107355  51  ASP   B CG   
2522 O OD1  . ASP   B 39  ? 0.219428  0.225617  0.200414  -0.0325     0.0391308   0.00024116  51  ASP   B OD1  
2523 O OD2  . ASP   B 39  ? 0.189832  0.259541  0.168865  -0.0282636  0.0382578   0.0116831   51  ASP   B OD2  
2524 H H    . ASP   B 39  ? 0.177308  0.233086  0.182779  -0.00934429 0.0169846   -0.00476364 51  ASP   B H    
2525 H HA   . ASP   B 39  ? 0.155595  0.23061   0.177532  -0.0158182  0.0191603   -0.00274697 51  ASP   B HA   
2526 H HB2  . ASP   B 39  ? 0.154218  0.22481   0.166753  -0.0166223  0.0309089   -0.00355157 51  ASP   B HB2  
2527 H HB3  . ASP   B 39  ? 0.156553  0.224512  0.167062  -0.0161208  0.0317919   -0.00356045 51  ASP   B HB3  
2528 N N    . LYS   B 40  ? 0.136388  0.251531  0.209914  -0.026084   0.00616702  0.0392571   52  LYS   B N    
2529 C CA   . LYS   B 40  ? 0.110098  0.25013   0.219087  -0.02117    0.0465061   0.0400112   52  LYS   B CA   
2530 C C    . LYS   B 40  ? 0.0881124 0.268899  0.162728  4.103e-05   0.08291     0.0303482   52  LYS   B C    
2531 O O    . LYS   B 40  ? 0.0820133 0.286645  0.191376  -0.0113092  0.101317    0.0150019   52  LYS   B O    
2532 C CB   . LYS   B 40  ? 0.130079  0.301899  0.264486  -0.0210378  0.0419652   0.0697764   52  LYS   B CB   
2533 C CG   . LYS   B 40  ? 0.163218  0.322037  0.351808  -0.0201854  0.00515753  0.0863411   52  LYS   B CG   
2534 C CD   . LYS   B 40  ? 0.155953  0.408479  0.435092  -0.00211949 -0.0253979  0.120011    52  LYS   B CD   
2535 H H    . LYS   B 40  ? 0.141824  0.243399  0.205413  -0.0194174  0.0175578   0.0277619   52  LYS   B H    
2536 H HA   . LYS   B 40  ? 0.123042  0.255016  0.208054  -0.0133968  0.0443614   0.0382102   52  LYS   B HA   
2537 H HB2  . LYS   B 40  ? 0.144133  0.285557  0.262513  -0.0157712  0.035231    0.0586346   52  LYS   B HB2  
2538 H HB3  . LYS   B 40  ? 0.140546  0.285773  0.260914  -0.0154202  0.0377466   0.0585624   52  LYS   B HB3  
2539 H HG2  . LYS   B 40  ? 0.171857  0.323907  0.331447  -0.0113609  0.0122882   0.0768799   52  LYS   B HG2  
2540 H HG3  . LYS   B 40  ? 0.17563   0.326298  0.333434  -0.0115994  0.0106882   0.0785856   52  LYS   B HG3  
2541 H HD2  . LYS   B 40  ? 0.33436   0.33436   0.33436   0           0           0           52  LYS   B HD2  
2542 H HD3  . LYS   B 40  ? 0.33436   0.33436   0.33436   0           0           0           52  LYS   B HD3  
2543 N N    . VAL   B 41  ? 0.111137  0.250619  0.179514  -0.0033427  0.0480349   0.0196918   53  VAL   B N    
2544 C CA   . VAL   B 41  ? 0.099081  0.231964  0.180996  0.00928951  0.0491773   0.0279575   53  VAL   B CA   
2545 C C    . VAL   B 41  ? 0.110028  0.218623  0.166627  0.0017478   0.0429676   0.0278751   53  VAL   B C    
2546 O O    . VAL   B 41  ? 0.149944  0.240891  0.151354  -0.0177229  0.02487     0.0189224   53  VAL   B O    
2547 C CB   . VAL   B 41  ? 0.081652  0.243443  0.220438  0.0284319   0.0643766   0.0479834   53  VAL   B CB   
2548 C CG1  . VAL   B 41  ? 0.0612838 0.245087  0.238316  0.0178714   0.0538122   0.0418451   53  VAL   B CG1  
2549 C CG2  . VAL   B 41  ? 0.117376  0.314156  0.255631  -0.0002868  0.0730923   0.0377684   53  VAL   B CG2  
2550 H H    . VAL   B 41  ? 0.117596  0.244423  0.182604  0.00193812  0.0484094   0.0234116   53  VAL   B H    
2551 H HA   . VAL   B 41  ? 0.110959  0.228744  0.181566  0.0099867   0.0479398   0.0278124   53  VAL   B HA   
2552 H HB   . VAL   B 41  ? 0.103417  0.243803  0.216046  0.0196323   0.0559028   0.0370818   53  VAL   B HB   
2553 H HG11 . VAL   B 41  ? 0.0858399 0.236692  0.225062  0.0231247   0.0523261   0.0385868   53  VAL   B HG11 
2554 H HG12 . VAL   B 41  ? 0.0843779 0.238747  0.227693  0.0233868   0.0537193   0.0413807   53  VAL   B HG12 
2555 H HG13 . VAL   B 41  ? 0.0819907 0.238827  0.227669  0.0245577   0.0506659   0.0416667   53  VAL   B HG13 
2556 H HG21 . VAL   B 41  ? 0.130445  0.283874  0.24367   0.00980237  0.0680933   0.0355473   53  VAL   B HG21 
2557 H HG22 . VAL   B 41  ? 0.125436  0.28986   0.241605  0.0121671   0.0646569   0.0348108   53  VAL   B HG22 
2558 H HG23 . VAL   B 41  ? 0.125474  0.283483  0.241115  0.0114184   0.0653462   0.0368027   53  VAL   B HG23 
2559 N N    . TYR   B 42  ? 0.134744  0.217896  0.158309  -0.00104403 0.0258874   0.0220887   54  TYR   B N    
2560 C CA   . TYR   B 42  ? 0.130134  0.218701  0.145332  -0.00155578 0.0489192   0.0263622   54  TYR   B CA   
2561 C C    . TYR   B 42  ? 0.146341  0.21915   0.146868  -0.0153818  0.049063    0.0331126   54  TYR   B C    
2562 O O    . TYR   B 42  ? 0.146468  0.23799   0.130065  -0.00264637 0.0378629   0.00907304  54  TYR   B O    
2563 C CB   . TYR   B 42  ? 0.130294  0.23623   0.160527  0.00155382  0.0174977   0.0270643   54  TYR   B CB   
2564 C CG   . TYR   B 42  ? 0.126769  0.223588  0.197041  -0.0110549  0.0175624   0.0278026   54  TYR   B CG   
2565 C CD1  . TYR   B 42  ? 0.149934  0.231718  0.247529  0.00063327  -0.00528615 0.0382812   54  TYR   B CD1  
2566 C CD2  . TYR   B 42  ? 0.125353  0.252664  0.164832  -0.0110792  0.0271129   0.018431    54  TYR   B CD2  
2567 C CE1  . TYR   B 42  ? 0.182656  0.229651  0.267872  -0.0140774  0.00548117  0.0273597   54  TYR   B CE1  
2568 C CE2  . TYR   B 42  ? 0.12871   0.272265  0.21056   -0.0106589  0.0222245   0.0262547   54  TYR   B CE2  
2569 C CZ   . TYR   B 42  ? 0.15434   0.263721  0.253969  -0.00442923 0.00013473  0.0122143   54  TYR   B CZ   
2570 O OH   . TYR   B 42  ? 0.21774   0.32665   0.282251  -0.00736319 -0.0105522  -0.0111905  54  TYR   B OH   
2571 H H    . TYR   B 42  ? 0.134054  0.214041  0.163499  0.00128739  0.0306562   0.0206584   54  TYR   B H    
2572 H HA   . TYR   B 42  ? 0.136684  0.21589   0.145709  -0.00259065 0.0382844   0.0250672   54  TYR   B HA   
2573 H HB2  . TYR   B 42  ? 0.135531  0.22467   0.166966  -0.00087453 0.0235899   0.023974    54  TYR   B HB2  
2574 H HB3  . TYR   B 42  ? 0.135433  0.22635   0.167166  -0.00090608 0.0235764   0.0236847   54  TYR   B HB3  
2575 H HD1  . TYR   B 42  ? 0.156688  0.228342  0.231153  -0.00338139 0.00399199  0.0301232   54  TYR   B HD1  
2576 H HD2  . TYR   B 42  ? 0.134293  0.242775  0.183269  -0.00805093 0.0226834   0.0206815   54  TYR   B HD2  
2577 H HE1  . TYR   B 42  ? 0.174215  0.233525  0.254253  -0.00792287 0.00383121  0.0242295   54  TYR   B HE1  
2578 H HE2  . TYR   B 42  ? 0.14345   0.259152  0.208357  -0.00711038 0.0189837   0.0197365   54  TYR   B HE2  
2579 H HH   . TYR   B 42  ? 0.27762   0.27762   0.27762   0           0           0           54  TYR   B HH   
2580 N N    . VAL   B 43  ? 0.110328  0.220172  0.127192  -0.00474658 0.0497893   0.0239181   55  VAL   B N    
2581 C CA   . VAL   B 43  ? 0.147118  0.20519   0.13937   -0.00573954 0.0399576   0.0195004   55  VAL   B CA   
2582 C C    . VAL   B 43  ? 0.144058  0.210484  0.162597  0.001365    0.0448585   0.0304998   55  VAL   B C    
2583 O O    . VAL   B 43  ? 0.165196  0.222677  0.187227  -0.0045895  0.0311854   0.069212    55  VAL   B O    
2584 C CB   . VAL   B 43  ? 0.116243  0.195581  0.141702  -0.00398428 0.0376061   0.00600727  55  VAL   B CB   
2585 C CG1  . VAL   B 43  ? 0.111063  0.222316  0.176278  -0.00382133 0.0383181   0.0151243   55  VAL   B CG1  
2586 C CG2  . VAL   B 43  ? 0.127614  0.214886  0.124781  -0.0116936  0.0161672   0.0181154   55  VAL   B CG2  
2587 H H    . VAL   B 43  ? 0.129704  0.210088  0.131248  -0.00533256 0.0441785   0.0230012   55  VAL   B H    
2588 H HA   . VAL   B 43  ? 0.136851  0.203216  0.144896  -0.00294792 0.0379703   0.0177146   55  VAL   B HA   
2589 H HB   . VAL   B 43  ? 0.126051  0.198615  0.142868  -0.00518973 0.029993    0.0100502   55  VAL   B HB   
2590 H HG11 . VAL   B 43  ? 0.121633  0.210101  0.167232  -0.00137434 0.0356637   0.0124762   55  VAL   B HG11 
2591 H HG12 . VAL   B 43  ? 0.121954  0.209381  0.168676  -0.00190752 0.0336687   0.0114243   55  VAL   B HG12 
2592 H HG13 . VAL   B 43  ? 0.120565  0.209295  0.1663    -0.00153537 0.0347344   0.0116813   55  VAL   B HG13 
2593 H HG21 . VAL   B 43  ? 0.129641  0.204069  0.133598  -0.00787183 0.0218791   0.0130489   55  VAL   B HG21 
2594 H HG22 . VAL   B 43  ? 0.128941  0.204257  0.133489  -0.00737699 0.0216472   0.0131566   55  VAL   B HG22 
2595 H HG23 . VAL   B 43  ? 0.12841   0.203135  0.131974  -0.00805979 0.0206692   0.0123703   55  VAL   B HG23 
2596 N N    . HIS   B 44  ? 0.156283  0.212637  0.163357  -0.00190781 0.040088    0.0209458   56  HIS   B N    
2597 C CA   . HIS   B 44  ? 0.186346  0.216915  0.208113  0.00212946  0.0282874   0.012818    56  HIS   B CA   
2598 C C    . HIS   B 44  ? 0.154824  0.208495  0.200945  -0.00614735 0.0589647   0.0206589   56  HIS   B C    
2599 O O    . HIS   B 44  ? 0.119721  0.220351  0.212896  -0.0294162  0.0755548   0.0107377   56  HIS   B O    
2600 C CB   . HIS   B 44  ? 0.194888  0.215394  0.295997  0.00993202  0.00632344  0.00521374  56  HIS   B CB   
2601 C CG   . HIS   B 44  ? 0.295432  0.253844  0.34591   0.0580766   -0.0119122  0.0430758   56  HIS   B CG   
2602 N ND1  . HIS   B 44  ? 0.390104  0.316036  0.404207  0.0977611   -0.0391585  0.061864    56  HIS   B ND1  
2603 C CD2  . HIS   B 44  ? 0.292655  0.340313  0.380585  0.0442453   -0.0272657  0.0756019   56  HIS   B CD2  
2604 C CE1  . HIS   B 44  ? 0.387144  0.378522  0.439036  0.0979199   -0.0602258  0.10585     56  HIS   B CE1  
2605 N NE2  . HIS   B 44  ? 0.39558   0.389145  0.46071   0.120536    -0.0469607  0.12196     56  HIS   B NE2  
2606 H H    . HIS   B 44  ? 0.160877  0.209179  0.167336  -0.00020185 0.035795    0.0201271   56  HIS   B H    
2607 H HA   . HIS   B 44  ? 0.178471  0.214667  0.208211  0.00115732  0.0299011   0.0143182   56  HIS   B HA   
2608 H HB2  . HIS   B 44  ? 0.210124  0.224701  0.276269  0.0150872   0.00610161  0.0110553   56  HIS   B HB2  
2609 H HB3  . HIS   B 44  ? 0.205434  0.220909  0.271991  0.0105242   0.00718256  0.0115125   56  HIS   B HB3  
2610 H HD1  . HIS   B 44  ? 0.372989  0.372989  0.372989  0           0           0           56  HIS   B HD1  
2611 H HD2  . HIS   B 44  ? 0.310269  0.324365  0.374109  0.0536757   -0.0213987  0.0659232   56  HIS   B HD2  
2612 H HE1  . HIS   B 44  ? 0.387835  0.368408  0.428566  0.0882353   -0.0436785  0.0844048   56  HIS   B HE1  
2613 H HE2  . HIS   B 44  ? 0.416303  0.416303  0.416303  0           0           0           56  HIS   B HE2  
2614 N N    . TYR   B 45  ? 0.162897  0.183606  0.193165  -0.0045655  0.0534978   0.0452099   57  TYR   B N    
2615 C CA   . TYR   B 45  ? 0.212201  0.195807  0.197984  0.0092      0.00334986  0.0286634   57  TYR   B CA   
2616 C C    . TYR   B 45  ? 0.197059  0.183336  0.226511  0.00566065  0.0129038   0.0184882   57  TYR   B C    
2617 O O    . TYR   B 45  ? 0.208244  0.20238   0.24642   0.0175549   -0.0213581  0.0400613   57  TYR   B O    
2618 C CB   . TYR   B 45  ? 0.162897  0.196525  0.161416  0.0140861   0.00236935  0.0246285   57  TYR   B CB   
2619 C CG   . TYR   B 45  ? 0.139953  0.20064   0.151042  0.0103179   -0.021582   0.0322136   57  TYR   B CG   
2620 C CD1  . TYR   B 45  ? 0.182606  0.244063  0.14516   -0.0134354  -0.0351999  0.0189468   57  TYR   B CD1  
2621 C CD2  . TYR   B 45  ? 0.134252  0.23235   0.148351  -0.00906249 -0.0261975  0.0193214   57  TYR   B CD2  
2622 C CE1  . TYR   B 45  ? 0.14281   0.278312  0.148238  -0.0336159  -0.0296306  0.016259    57  TYR   B CE1  
2623 C CE2  . TYR   B 45  ? 0.118821  0.243591  0.141744  -0.0166527  -0.0135574  0.0130512   57  TYR   B CE2  
2624 C CZ   . TYR   B 45  ? 0.132797  0.262852  0.116973  -0.0150792  -0.0138316  0.0281694   57  TYR   B CZ   
2625 O OH   . TYR   B 45  ? 0.213465  0.328868  0.122839  -0.0502766  -0.0281196  0.0366759   57  TYR   B OH   
2626 H H    . TYR   B 45  ? 0.171907  0.190742  0.190237  -0.00103352 0.0380395   0.0332205   57  TYR   B H    
2627 H HA   . TYR   B 45  ? 0.189512  0.194834  0.196302  0.00505042  0.0146097   0.0255255   57  TYR   B HA   
2628 H HB2  . TYR   B 45  ? 0.166427  0.195482  0.166115  0.010386    -0.00191337 0.0236008   57  TYR   B HB2  
2629 H HB3  . TYR   B 45  ? 0.165898  0.195315  0.165956  0.0103921   -0.00214823 0.0236771   57  TYR   B HB3  
2630 H HD1  . TYR   B 45  ? 0.173541  0.237142  0.154108  -0.00679821 -0.0271005  0.0186611   57  TYR   B HD1  
2631 H HD2  . TYR   B 45  ? 0.136115  0.221686  0.149158  -0.0057047  -0.0193624  0.0183656   57  TYR   B HD2  
2632 H HE1  . TYR   B 45  ? 0.151329  0.257248  0.144888  -0.0208673  -0.0250342  0.0174446   57  TYR   B HE1  
2633 H HE2  . TYR   B 45  ? 0.128771  0.23721   0.143264  -0.013022   -0.00993671 0.0180869   57  TYR   B HE2  
2634 H HH   . TYR   B 45  ? 0.224806  0.224806  0.224806  0           0           0           57  TYR   B HH   
2635 N N    . LYS   B 46  ? 0.231587  0.163387  0.238181  -0.033798   -0.0119434  0.00650953  58  LYS   B N    
2636 C CA   . LYS   B 46  ? 0.223662  0.205376  0.256177  -0.0305968  0.0487028   0.0135059   58  LYS   B CA   
2637 C C    . LYS   B 46  ? 0.214869  0.197498  0.234806  -0.0477245  0.0285459   0.0461035   58  LYS   B C    
2638 O O    . LYS   B 46  ? 0.239914  0.249241  0.202501  -0.0241084  0.055627    0.055421    58  LYS   B O    
2639 C CB   . LYS   B 46  ? 0.267667  0.230761  0.338044  -0.0555542  0.0768269   0.00813312  58  LYS   B CB   
2640 C CG   . LYS   B 46  ? 0.307305  0.251483  0.311491  -0.0433512  0.0795025   -0.00323831 58  LYS   B CG   
2641 C CD   . LYS   B 46  ? 0.36014   0.231158  0.296842  -0.0893692  0.0435364   -0.00073535 58  LYS   B CD   
2642 C CE   . LYS   B 46  ? 0.400801  0.255922  0.322613  -0.048516   0.0463599   0.0186808   58  LYS   B CE   
2643 N NZ   . LYS   B 46  ? 0.298761  0.22801   0.307571  0.00923541  0.0237878   -0.0193634  58  LYS   B NZ   
2644 H H    . LYS   B 46  ? 0.220037  0.182681  0.233793  -0.0194641  0.00762062  0.0114053   58  LYS   B H    
2645 H HA   . LYS   B 46  ? 0.228347  0.203562  0.255076  -0.0324086  0.0321689   0.0159632   58  LYS   B HA   
2646 H HB2  . LYS   B 46  ? 0.268802  0.236838  0.306954  -0.0407796  0.0649021   0.00573998  58  LYS   B HB2  
2647 H HB3  . LYS   B 46  ? 0.266902  0.23631   0.305357  -0.0401445  0.0620135   0.00669655  58  LYS   B HB3  
2648 H HG2  . LYS   B 46  ? 0.309362  0.248524  0.310946  -0.0468517  0.0625305   0.00188056  58  LYS   B HG2  
2649 H HG3  . LYS   B 46  ? 0.308646  0.249559  0.312168  -0.0482095  0.061942    0.00099144  58  LYS   B HG3  
2650 H HD2  . LYS   B 46  ? 0.344699  0.249691  0.303948  -0.0596062  0.049295    0.0048791   58  LYS   B HD2  
2651 H HD3  . LYS   B 46  ? 0.347416  0.250164  0.305247  -0.0586861  0.0478019   0.00373969  58  LYS   B HD3  
2652 H HE2  . LYS   B 46  ? 0.359112  0.255492  0.315215  -0.0366711  0.0375889   0.00539665  58  LYS   B HE2  
2653 H HE3  . LYS   B 46  ? 0.370988  0.255316  0.316434  -0.0369801  0.0405985   0.00509349  58  LYS   B HE3  
2654 H HZ1  . LYS   B 46  ? 0.30464   0.243454  0.306068  -0.00545756 0.0241328   -0.00774683 58  LYS   B HZ1  
2655 H HZ2  . LYS   B 46  ? 0.315659  0.244568  0.308431  -0.00394356 0.0250858   -0.00948005 58  LYS   B HZ2  
2656 H HZ3  . LYS   B 46  ? 0.314444  0.242537  0.302353  -0.00518297 0.0259344   -0.00980683 58  LYS   B HZ3  
2657 N N    . GLY   B 47  ? 0.198945  0.236459  0.215243  -0.0324046  0.0196556   0.0519369   59  GLY   B N    
2658 C CA   . GLY   B 47  ? 0.198116  0.245516  0.216457  -0.0357743  0.0251602   0.103717    59  GLY   B CA   
2659 C C    . GLY   B 47  ? 0.158921  0.25584   0.228697  -0.0412503  0.00161418  0.0808493   59  GLY   B C    
2660 O O    . GLY   B 47  ? 0.125413  0.254736  0.209901  -0.0349885  0.0315651   0.0712632   59  GLY   B O    
2661 H H    . GLY   B 47  ? 0.203671  0.229992  0.222213  -0.0326553  0.0214753   0.0509935   59  GLY   B H    
2662 H HA2  . GLY   B 47  ? 0.191585  0.242252  0.212927  -0.0308062  0.016003    0.0778985   59  GLY   B HA2  
2663 H HA3  . GLY   B 47  ? 0.192325  0.245862  0.22015   -0.0308678  0.01754     0.0774753   59  GLY   B HA3  
2664 N N    . LYS   B 48  ? 0.140216  0.229485  0.215135  -0.0318521  0.0272492   0.092478    60  LYS   B N    
2665 C CA   . LYS   B 48  ? 0.165219  0.249333  0.240813  -0.048024   0.0451493   0.0997098   60  LYS   B CA   
2666 C C    . LYS   B 48  ? 0.175791  0.266658  0.244352  -0.0429509  0.0163203   0.071135    60  LYS   B C    
2667 O O    . LYS   B 48  ? 0.134415  0.296958  0.224079  -0.0432709  0.0662331   0.0687679   60  LYS   B O    
2668 C CB   . LYS   B 48  ? 0.185918  0.258939  0.285241  -0.0125379  0.0609198   0.0666982   60  LYS   B CB   
2669 C CG   . LYS   B 48  ? 0.17622   0.292362  0.336247  -0.0125144  0.0652744   0.0306352   60  LYS   B CG   
2670 C CD   . LYS   B 48  ? 0.289315  0.294718  0.3764    0.0127568   0.0523239   -0.00616769 60  LYS   B CD   
2671 C CE   . LYS   B 48  ? 0.365646  0.332464  0.422036  0.00190113  0.0414678   -0.0271148  60  LYS   B CE   
2672 N NZ   . LYS   B 48  ? 0.382758  0.380014  0.43412   -0.00623077 0.0353562   -0.0844133  60  LYS   B NZ   
2673 H H    . LYS   B 48  ? 0.155746  0.230097  0.216921  -0.0318848  0.0231422   0.0837146   60  LYS   B H    
2674 H HA   . LYS   B 48  ? 0.171357  0.247176  0.237343  -0.0326421  0.0343931   0.077283    60  LYS   B HA   
2675 H HB2  . LYS   B 48  ? 0.187862  0.262848  0.279633  -0.0175594  0.0513234   0.0590656   60  LYS   B HB2  
2676 H HB3  . LYS   B 48  ? 0.184586  0.261206  0.278619  -0.0168169  0.0514559   0.0595722   60  LYS   B HB3  
2677 H HG2  . LYS   B 48  ? 0.19663   0.282735  0.319431  -0.0100434  0.0623066   0.0320956   60  LYS   B HG2  
2678 H HG3  . LYS   B 48  ? 0.20576   0.283607  0.322108  -0.00679581 0.0569035   0.0304688   60  LYS   B HG3  
2679 H HD2  . LYS   B 48  ? 0.285919  0.305825  0.368489  0.00525637  0.0452653   -1.201e-05  60  LYS   B HD2  
2680 H HD3  . LYS   B 48  ? 0.278405  0.304635  0.366927  0.0044589   0.0476871   0.00115487  60  LYS   B HD3  
2681 H HE2  . LYS   B 48  ? 0.357514  0.340455  0.408724  0.00369722  0.0374057   -0.0284948  60  LYS   B HE2  
2682 H HE3  . LYS   B 48  ? 0.353649  0.341323  0.408091  0.0017291   0.0398224   -0.0285092  60  LYS   B HE3  
2683 H HZ1  . LYS   B 48  ? 0.383253  0.374883  0.427101  -0.00739988 0.0365209   -0.0566157  60  LYS   B HZ1  
2684 H HZ2  . LYS   B 48  ? 0.383316  0.371229  0.426974  -0.00327345 0.033755    -0.055317   60  LYS   B HZ2  
2685 H HZ3  . LYS   B 48  ? 0.381125  0.37178   0.428092  -0.00409794 0.0349897   -0.0556821  60  LYS   B HZ3  
2686 N N    . LEU   B 49  ? 0.201337  0.289836  0.250077  -0.0467589  0.0259237   0.0741273   61  LEU   B N    
2687 C CA   . LEU   B 49  ? 0.261779  0.309828  0.309055  -0.0134769  -0.025288   0.0759679   61  LEU   B CA   
2688 C C    . LEU   B 49  ? 0.270708  0.311161  0.355137  -0.0090281  -0.0597198  0.0323256   61  LEU   B C    
2689 O O    . LEU   B 49  ? 0.311903  0.319571  0.373582  -0.0606128  -0.0817637  0.0262009   61  LEU   B O    
2690 C CB   . LEU   B 49  ? 0.288264  0.373552  0.308466  -0.0140892  0.00259722  0.0466738   61  LEU   B CB   
2691 C CG   . LEU   B 49  ? 0.344421  0.395114  0.26568   0.002286    0.0128919   0.0801609   61  LEU   B CG   
2692 C CD1  . LEU   B 49  ? 0.393595  0.446217  0.292977  0.0209984   0.0566839   0.049279    61  LEU   B CD1  
2693 C CD2  . LEU   B 49  ? 0.343013  0.403673  0.249611  0.0163341   -0.0146008  0.0206791   61  LEU   B CD2  
2694 H H    . LEU   B 49  ? 0.211029  0.283086  0.257487  -0.0337907  0.0132967   0.0645343   61  LEU   B H    
2695 H HA   . LEU   B 49  ? 0.257185  0.310511  0.301013  -0.0181178  -0.0114695  0.0550281   61  LEU   B HA   
2696 H HB2  . LEU   B 49  ? 0.296781  0.361118  0.305834  -0.00876824 -0.000984   0.0533975   61  LEU   B HB2  
2697 H HB3  . LEU   B 49  ? 0.298234  0.358306  0.304389  -0.0100712  -0.00044847 0.0532194   61  LEU   B HB3  
2698 H HG   . LEU   B 49  ? 0.33739   0.390801  0.284137  0.0040029   0.0134702   0.0504887   61  LEU   B HG   
2699 H HD11 . LEU   B 49  ? 0.379068  0.430182  0.298842  0.0147646   0.0403146   0.0525348   61  LEU   B HD11 
2700 H HD12 . LEU   B 49  ? 0.379568  0.425746  0.303192  0.0142586   0.041911    0.0533211   61  LEU   B HD12 
2701 H HD13 . LEU   B 49  ? 0.38333   0.426998  0.299009  0.0112094   0.0410467   0.05182     61  LEU   B HD13 
2702 H HD21 . LEU   B 49  ? 0.342783  0.392394  0.267985  0.0123268   -0.00647862 0.0331132   61  LEU   B HD21 
2703 H HD22 . LEU   B 49  ? 0.341965  0.392797  0.265256  0.0124791   -0.00438086 0.0338964   61  LEU   B HD22 
2704 H HD23 . LEU   B 49  ? 0.341201  0.392591  0.258433  0.0115823   -0.0072064  0.0323635   61  LEU   B HD23 
2705 N N    . SER   B 50  ? 0.265841  0.328218  0.456144  0.00383038  -0.102649   0.00305843  62  SER   B N    
2706 C CA   . SER   B 50  ? 0.434932  0.39052   0.477282  0.0209815   -0.0910228  -0.0342264  62  SER   B CA   
2707 C C    . SER   B 50  ? 0.384625  0.397079  0.66903   -0.0375041  -0.125111   -0.0567901  62  SER   B C    
2708 O O    . SER   B 50  ? 0.350207  0.623048  0.822522  0.0217751   -0.132897   -0.196514   62  SER   B O    
2709 C CB   . SER   B 50  ? 0.547041  0.311891  0.472082  0.0119845   -0.0970963  -0.022555   62  SER   B CB   
2710 O OG   . SER   B 50  ? 0.68212   0.439254  0.437011  0.0596212   0.0434428   0.014194    62  SER   B OG   
2711 H H    . SER   B 50  ? 0.302646  0.335704  0.419582  0.00388266  -0.0741688  0.00510165  62  SER   B H    
2712 H HA   . SER   B 50  ? 0.403307  0.374775  0.493129  0.0072756   -0.0824709  -0.0241449  62  SER   B HA   
2713 H HB2  . SER   B 50  ? 0.528931  0.369754  0.472405  0.0190249   -0.0615579  -0.0110956  62  SER   B HB2  
2714 H HB3  . SER   B 50  ? 0.518641  0.366692  0.456799  0.0179531   -0.0647153  -0.0183018  62  SER   B HB3  
2715 H HG   . SER   B 50  ? 0.523577  0.523577  0.523577  0           0           0           62  SER   B HG   
2716 N N    . ASN   B 51  ? 0.504392  0.536081  0.768654  -0.0905978  -0.13335    -0.0404792  63  ASN   B N    
2717 C CA   . ASN   B 51  ? 0.563592  0.549792  0.818327  -0.118839   -0.102476   0.067822    63  ASN   B CA   
2718 C C    . ASN   B 51  ? 0.498545  0.622262  0.850851  -0.185074   -0.168164   0.118425    63  ASN   B C    
2719 O O    . ASN   B 51  ? 0.436509  0.561418  0.871247  -0.276856   -0.041415   0.136747    63  ASN   B O    
2720 C CB   . ASN   B 51  ? 0.590426  0.543976  0.769873  -0.0753341  -0.130835   0.0853296   63  ASN   B CB   
2721 H H    . ASN   B 51  ? 0.498231  0.520968  0.726574  -0.0659525  -0.103942   -0.0113998  63  ASN   B H    
2722 H HA   . ASN   B 51  ? 0.558128  0.57358   0.785129  -0.0966007  -0.105023   0.0513829   63  ASN   B HA   
2723 H HB2  . ASN   B 51  ? 0.634777  0.634777  0.634777  0           0           0           63  ASN   B HB2  
2724 H HB3  . ASN   B 51  ? 0.634777  0.634777  0.634777  0           0           0           63  ASN   B HB3  
2725 N N    . GLY   B 52  ? 0.525865  0.740663  0.987963  -0.233157   -0.210164   0.0885701   64  GLY   B N    
2726 C CA   . GLY   B 52  ? 0.586143  0.848487  0.98569   -0.173554   -0.143046   0.0896677   64  GLY   B CA   
2727 C C    . GLY   B 52  ? 0.660726  0.885328  0.92063   -0.0850458  -0.0447263  0.130541    64  GLY   B C    
2728 O O    . GLY   B 52  ? 0.743256  0.976872  1.16853   -0.209555   0.15195     0.084517    64  GLY   B O    
2729 H H    . GLY   B 52  ? 0.54255   0.727127  0.911465  -0.187995   -0.169357   0.0791659   64  GLY   B H    
2730 H HA2  . GLY   B 52  ? 0.616813  0.8287    0.955541  -0.141906   -0.11508    0.0882711   64  GLY   B HA2  
2731 H HA3  . GLY   B 52  ? 0.615353  0.825082  0.953652  -0.143859   -0.114299   0.087919    64  GLY   B HA3  
2732 N N    . LYS   B 53  ? 0.504727  0.866692  0.712032  -0.0298172  0.00042673  0.104248    65  LYS   B N    
2733 C CA   . LYS   B 53  ? 0.445181  0.769246  0.640184  -0.112511   0.10568     0.0360124   65  LYS   B CA   
2734 C C    . LYS   B 53  ? 0.429045  0.638623  0.511328  -0.127086   0.105149    0.0855006   65  LYS   B C    
2735 O O    . LYS   B 53  ? 0.38538   0.827881  0.428872  -0.108207   0.115142    0.0280196   65  LYS   B O    
2736 C CB   . LYS   B 53  ? 0.424619  0.718203  0.722276  -0.0383956  0.202772    -0.0006983  65  LYS   B CB   
2737 H H    . LYS   B 53  ? 0.541635  0.824409  0.728374  -0.0519989  0.0215162   0.0827807   65  LYS   B H    
2738 H HA   . LYS   B 53  ? 0.473604  0.73299   0.636839  -0.0736695  0.0941515   0.048651    65  LYS   B HA   
2739 H HB2  . LYS   B 53  ? 0.624518  0.624518  0.624518  0           0           0           65  LYS   B HB2  
2740 H HB3  . LYS   B 53  ? 0.624518  0.624518  0.624518  0           0           0           65  LYS   B HB3  
2741 N N    . LYS   B 54  ? 0.325063  0.451422  0.339854  -0.0763814  0.120599    0.0455553   66  LYS   B N    
2742 C CA   . LYS   B 54  ? 0.26361   0.403832  0.266078  -0.0500348  0.138058    0.0664448   66  LYS   B CA   
2743 C C    . LYS   B 54  ? 0.258403  0.401288  0.271618  -0.0571137  0.10554     0.116939    66  LYS   B C    
2744 O O    . LYS   B 54  ? 0.350588  0.396045  0.293576  -0.0677935  -0.0142913  0.11579     66  LYS   B O    
2745 C CB   . LYS   B 54  ? 0.261931  0.427707  0.327763  -0.06283    0.116716    0.018077    66  LYS   B CB   
2746 H H    . LYS   B 54  ? 0.327844  0.455415  0.34807   -0.0677593  0.108644    0.0510275   66  LYS   B H    
2747 H HA   . LYS   B 54  ? 0.276671  0.401053  0.291796  -0.0484163  0.108923    0.060888    66  LYS   B HA   
2748 H HB2  . LYS   B 54  ? 0.349811  0.349811  0.349811  0           0           0           66  LYS   B HB2  
2749 H HB3  . LYS   B 54  ? 0.349811  0.349811  0.349811  0           0           0           66  LYS   B HB3  
2750 N N    . PHE   B 55  ? 0.256621  0.37181   0.260366  -0.0355925  0.0735064   0.129337    67  PHE   B N    
2751 C CA   . PHE   B 55  ? 0.247404  0.294798  0.183574  -0.0305898  0.0491863   0.0821676   67  PHE   B CA   
2752 C C    . PHE   B 55  ? 0.224702  0.289094  0.172519  -0.0140606  0.0425031   0.0689751   67  PHE   B C    
2753 O O    . PHE   B 55  ? 0.239521  0.377475  0.211658  -0.0198558  0.00686599  0.133081    67  PHE   B O    
2754 C CB   . PHE   B 55  ? 0.295921  0.277804  0.194532  -0.0277709  0.0483982   0.0711862   67  PHE   B CB   
2755 C CG   . PHE   B 55  ? 0.306102  0.267844  0.258684  -0.02441    0.0685164   0.0249291   67  PHE   B CG   
2756 C CD1  . PHE   B 55  ? 0.295752  0.267792  0.280324  -0.046712   0.108468    -0.00141172 67  PHE   B CD1  
2757 C CD2  . PHE   B 55  ? 0.316424  0.254274  0.285857  -0.0182554  0.0610989   0.0204483   67  PHE   B CD2  
2758 C CE1  . PHE   B 55  ? 0.28995   0.286614  0.274195  -0.0239327  0.0977698   -0.00689777 67  PHE   B CE1  
2759 C CE2  . PHE   B 55  ? 0.32324   0.282517  0.276509  -0.00243417 0.0721763   0.0330478   67  PHE   B CE2  
2760 C CZ   . PHE   B 55  ? 0.288853  0.272856  0.294065  0.0104373   0.116891    0.00874096  67  PHE   B CZ   
2761 H H    . PHE   B 55  ? 0.259207  0.348529  0.247263  -0.0337644  0.0671412   0.0981492   67  PHE   B H    
2762 H HA   . PHE   B 55  ? 0.249717  0.292601  0.198296  -0.0238611  0.0458663   0.0766665   67  PHE   B HA   
2763 H HB2  . PHE   B 55  ? 0.282851  0.278049  0.211748  -0.0232949  0.0472802   0.0568123   67  PHE   B HB2  
2764 H HB3  . PHE   B 55  ? 0.281795  0.275015  0.207993  -0.0220472  0.0457484   0.060026    67  PHE   B HB3  
2765 H HD1  . PHE   B 55  ? 0.295307  0.275954  0.279174  -0.0312473  0.0873916   0.00344396  67  PHE   B HD1  
2766 H HD2  . PHE   B 55  ? 0.310323  0.269487  0.276655  -0.0139117  0.0589661   0.0219263   67  PHE   B HD2  
2767 H HE1  . PHE   B 55  ? 0.288513  0.282217  0.278834  -0.0179493  0.0921112   -0.00028049 67  PHE   B HE1  
2768 H HE2  . PHE   B 55  ? 0.309103  0.278414  0.277574  -0.00262836 0.0694121   0.021756    67  PHE   B HE2  
2769 H HZ   . PHE   B 55  ? 0.290757  0.281171  0.27607   -0.00145974 0.0946293   0.00968857  67  PHE   B HZ   
2770 N N    . ASP   B 56  ? 0.196618  0.250654  0.184782  -0.027299   0.00750531  0.0507594   68  ASP   B N    
2771 C CA   . ASP   B 56  ? 0.193952  0.28965   0.186246  -0.00881583 0.00694136  0.0485389   68  ASP   B CA   
2772 C C    . ASP   B 56  ? 0.174374  0.314275  0.188397  -0.0108549  -0.00533401 0.0310063   68  ASP   B C    
2773 O O    . ASP   B 56  ? 0.237748  0.30282   0.196055  -0.0126452  0.0258386   0.0504933   68  ASP   B O    
2774 C CB   . ASP   B 56  ? 0.208546  0.312687  0.213253  -0.0151319  -0.00377177 0.0326203   68  ASP   B CB   
2775 C CG   . ASP   B 56  ? 0.217651  0.317773  0.23991   -0.0190084  -0.00776773 0.0279942   68  ASP   B CG   
2776 O OD1  . ASP   B 56  ? 0.233626  0.32776   0.31849   0.00922293  -0.0173259  0.0346817   68  ASP   B OD1  
2777 O OD2  . ASP   B 56  ? 0.246462  0.296402  0.260866  -0.00883125 -0.0297355  0.0131992   68  ASP   B OD2  
2778 H H    . ASP   B 56  ? 0.20262   0.261682  0.186118  -0.0175318  0.0152107   0.0483322   68  ASP   B H    
2779 H HA   . ASP   B 56  ? 0.198156  0.283018  0.193321  -0.0105134  0.00408905  0.0412155   68  ASP   B HA   
2780 H HB2  . ASP   B 56  ? 0.213027  0.301874  0.217243  -0.0119287  -0.00051971 0.0313912   68  ASP   B HB2  
2781 H HB3  . ASP   B 56  ? 0.212618  0.302413  0.21776   -0.0122622  0.00033797  0.0305286   68  ASP   B HB3  
2782 N N    . SER   B 57  ? 0.182252  0.421173  0.208648  0.00886879  -0.00507688 0.0506448   69  SER   B N    
2783 C CA   . SER   B 57  ? 0.167931  0.492496  0.257253  -0.0158371  0.00697479  0.0523763   69  SER   B CA   
2784 C C    . SER   B 57  ? 0.177266  0.510829  0.277685  -0.0176375  -0.0291526  0.0844847   69  SER   B C    
2785 O O    . SER   B 57  ? 0.271957  0.539867  0.321948  -0.0825309  -0.0608826  0.163175    69  SER   B O    
2786 C CB   . SER   B 57  ? 0.152704  0.592039  0.341573  -0.00889382 -0.0104563  -0.005724   69  SER   B CB   
2787 O OG   . SER   B 57  ? 0.277389  0.740043  0.365518  -0.0295081  -0.0109023  -0.0437682  69  SER   B OG   
2788 H H    . SER   B 57  ? 0.193126  0.384605  0.216965  0.00253527  0.00229322  0.0448799   69  SER   B H    
2789 H HA   . SER   B 57  ? 0.19598   0.470556  0.273028  -0.00201823 0.00327859  0.0489294   69  SER   B HA   
2790 H HB2  . SER   B 57  ? 0.188978  0.563637  0.330059  -0.010062   -0.00803791 0.00819798  69  SER   B HB2  
2791 H HB3  . SER   B 57  ? 0.208367  0.570136  0.337268  -0.0056749  0.00396891  0.00875647  69  SER   B HB3  
2792 H HG   . SER   B 57  ? 0.473297  0.473297  0.473297  0           0           0           69  SER   B HG   
2793 N N    . SER   B 58  ? 0.256552  0.431071  0.323406  -0.0336777  -0.0668321  0.133789    70  SER   B N    
2794 C CA   . SER   B 58  ? 0.244796  0.423429  0.408728  -0.0361218  -0.05581    0.122133    70  SER   B CA   
2795 C C    . SER   B 58  ? 0.301744  0.454835  0.434444  -0.00578286 -0.0595449  0.119539    70  SER   B C    
2796 O O    . SER   B 58  ? 0.396032  0.402111  0.463028  0.0713206   -0.0911647  0.141464    70  SER   B O    
2797 C CB   . SER   B 58  ? 0.22696   0.433706  0.362243  -0.0427942  -0.0528144  0.10601     70  SER   B CB   
2798 O OG   . SER   B 58  ? 0.19544   0.321528  0.298808  -0.0198716  0.00186741  0.0817382   70  SER   B OG   
2799 H H    . SER   B 58  ? 0.247165  0.434142  0.317221  -0.0210744  -0.0474573  0.111822    70  SER   B H    
2800 H HA   . SER   B 58  ? 0.266722  0.426824  0.389847  -0.0265034  -0.0472389  0.107265    70  SER   B HA   
2801 H HB2  . SER   B 58  ? 0.233762  0.394271  0.349595  -0.0315537  -0.0333863  0.089212    70  SER   B HB2  
2802 H HB3  . SER   B 58  ? 0.242941  0.401695  0.351451  -0.035566   -0.0311466  0.0909545   70  SER   B HB3  
2803 H HG   . SER   B 58  ? 0.273441  0.273441  0.273441  0           0           0           70  SER   B HG   
2804 N N    . HIS   B 59  ? 0.388034  0.487033  0.565671  0.0376555   -0.0294799  0.0887648   71  HIS   B N    
2805 C CA   . HIS   B 59  ? 0.556092  0.438027  0.502041  0.0709187   -0.00098221 0.112938    71  HIS   B CA   
2806 C C    . HIS   B 59  ? 0.651821  0.486999  0.619669  0.107294    0.101874    0.187777    71  HIS   B C    
2807 O O    . HIS   B 59  ? 0.80031   0.480913  0.703537  0.132131    0.214886    0.216544    71  HIS   B O    
2808 C CB   . HIS   B 59  ? 0.687442  0.461806  0.537032  0.0723774   0.00011899  0.0999132   71  HIS   B CB   
2809 C CG   . HIS   B 59  ? 0.841217  0.557635  0.499979  0.0515089   -0.029535   0.0789147   71  HIS   B CG   
2810 N ND1  . HIS   B 59  ? 0.813563  0.67478   0.392992  -0.00294084 -0.107949   0.0692387   71  HIS   B ND1  
2811 C CD2  . HIS   B 59  ? 0.829805  0.552572  0.368109  0.020692    -0.087836   -0.0648687  71  HIS   B CD2  
2812 C CE1  . HIS   B 59  ? 0.904947  0.625779  0.42227   -0.0329449  -0.0690793  -0.0138159  71  HIS   B CE1  
2813 N NE2  . HIS   B 59  ? 0.861679  0.559352  0.393484  -0.052191   -0.0448661  -0.139282   71  HIS   B NE2  
2814 H H    . HIS   B 59  ? 0.404285  0.474088  0.506461  0.0262503   -0.0214394  0.088718    71  HIS   B H    
2815 H HA   . HIS   B 59  ? 0.538883  0.469959  0.532706  0.0635383   0.0116235   0.103819    71  HIS   B HA   
2816 H HB2  . HIS   B 59  ? 0.662183  0.491473  0.527308  0.0617361   -0.00030842 0.087669    71  HIS   B HB2  
2817 H HB3  . HIS   B 59  ? 0.66402   0.483676  0.529081  0.0649818   0.00141771  0.0881685   71  HIS   B HB3  
2818 H HD1  . HIS   B 59  ? 0.634904  0.634904  0.634904  0           0           0           71  HIS   B HD1  
2819 H HD2  . HIS   B 59  ? 0.804728  0.563594  0.431436  0.021746    -0.0524774  -0.0427926  71  HIS   B HD2  
2820 H HE1  . HIS   B 59  ? 0.851766  0.629108  0.444889  -0.0148708  -0.0590825  -0.00232998 71  HIS   B HE1  
2821 H HE2  . HIS   B 59  ? 0.621859  0.621859  0.621859  0           0           0           71  HIS   B HE2  
2822 N N    . ASP   B 60  ? 0.732458  0.631439  0.642274  0.095057    0.194937    0.288565    72  ASP   B N    
2823 C CA   . ASP   B 60  ? 0.736557  0.715487  0.73378   0.0853601   0.212729    0.371917    72  ASP   B CA   
2824 C C    . ASP   B 60  ? 0.775825  0.760231  0.742926  0.110555    0.138075    0.376903    72  ASP   B C    
2825 O O    . ASP   B 60  ? 0.998933  0.802461  0.585349  0.190209    0.191215    0.424281    72  ASP   B O    
2826 C CB   . ASP   B 60  ? 0.690888  0.827847  0.807192  -0.014695   0.268495    0.462207    72  ASP   B CB   
2827 C CG   . ASP   B 60  ? 0.660225  0.932385  0.959382  -0.0343461  0.245455    0.447708    72  ASP   B CG   
2828 O OD1  . ASP   B 60  ? 0.507459  1.07642   0.847689  0.0103534   0.354732    0.507192    72  ASP   B OD1  
2829 O OD2  . ASP   B 60  ? 0.603842  1.18502   1.01385   -0.0721792  0.284909    0.422908    72  ASP   B OD2  
2830 H H    . ASP   B 60  ? 0.686383  0.629083  0.65184   0.074434    0.149527    0.243855    72  ASP   B H    
2831 H HA   . ASP   B 60  ? 0.728856  0.724804  0.725171  0.0637242   0.178248    0.323212    72  ASP   B HA   
2832 H HB2  . ASP   B 60  ? 0.694068  0.821876  0.797997  0.00118287  0.21097     0.378488    72  ASP   B HB2  
2833 H HB3  . ASP   B 60  ? 0.700759  0.825399  0.807086  0.00268528  0.213685    0.383831    72  ASP   B HB3  
2834 N N    . ARG   B 61  ? 0.690655  0.77216   0.801324  0.0159265   0.0608206   0.394068    73  ARG   B N    
2835 C CA   . ARG   B 61  ? 0.743483  0.833778  0.72887   0.0250821   0.0419421   0.329412    73  ARG   B CA   
2836 C C    . ARG   B 61  ? 0.539774  0.714222  0.658971  0.00166277  0.018553    0.331287    73  ARG   B C    
2837 O O    . ARG   B 61  ? 0.558019  0.789028  0.728258  0.0684785   -0.0539742  0.265882    73  ARG   B O    
2838 C CB   . ARG   B 61  ? 0.887733  0.723881  0.765854  -0.00689987 0.0514992   0.344333    73  ARG   B CB   
2839 H H    . ARG   B 61  ? 0.72102   0.777714  0.767361  0.0391059   0.064881    0.327119    73  ARG   B H    
2840 H HA   . ARG   B 61  ? 0.714529  0.789541  0.742693  0.0135376   0.0374791   0.290217    73  ARG   B HA   
2841 H HB2  . ARG   B 61  ? 0.792965  0.792965  0.792965  0           0           0           73  ARG   B HB2  
2842 H HB3  . ARG   B 61  ? 0.792965  0.792965  0.792965  0           0           0           73  ARG   B HB3  
2843 N N    . ASN   B 62  ? 0.436744  0.573812  0.63166   -0.0012451  0.0625071   0.320089    74  ASN   B N    
2844 C CA   . ASN   B 62  ? 0.423547  0.479977  0.586808  0.0749584   0.0581959   0.265117    74  ASN   B CA   
2845 C C    . ASN   B 62  ? 0.357303  0.549771  0.59233   0.036785    0.0708062   0.201523    74  ASN   B C    
2846 O O    . ASN   B 62  ? 0.335855  0.656517  0.563154  0.0391781   0.0664046   0.160538    74  ASN   B O    
2847 C CB   . ASN   B 62  ? 0.32709   0.512461  0.692392  0.0753657   -0.00941871 0.297445    74  ASN   B CB   
2848 H H    . ASN   B 62  ? 0.45995   0.577966  0.613533  0.0176019   0.0429659   0.268543    74  ASN   B H    
2849 H HA   . ASN   B 62  ? 0.406166  0.517544  0.594309  0.0495735   0.0408463   0.236166    74  ASN   B HA   
2850 H HB2  . ASN   B 62  ? 0.510152  0.510152  0.510152  0           0           0           74  ASN   B HB2  
2851 H HB3  . ASN   B 62  ? 0.510152  0.510152  0.510152  0           0           0           74  ASN   B HB3  
2852 N N    . GLU   B 63  ? 0.472459  0.440519  0.666706  0.0581515   -0.00791704 0.218567    75  GLU   B N    
2853 C CA   . GLU   B 63  ? 0.449764  0.420736  0.531164  0.0604946   -0.0132145  0.182993    75  GLU   B CA   
2854 C C    . GLU   B 63  ? 0.323384  0.361713  0.463868  0.0382899   -0.00125345 0.136655    75  GLU   B C    
2855 O O    . GLU   B 63  ? 0.303807  0.298594  0.365043  0.0150339   0.0169407   0.126277    75  GLU   B O    
2856 C CB   . GLU   B 63  ? 0.496321  0.505766  0.501823  0.0573863   -0.0777647  0.221049    75  GLU   B CB   
2857 C CG   . GLU   B 63  ? 0.470692  0.569783  0.566571  0.0482317   -0.13464    0.204517    75  GLU   B CG   
2858 C CD   . GLU   B 63  ? 0.445047  0.526298  0.517721  0.0172157   -0.214006   0.158573    75  GLU   B CD   
2859 O OE1  . GLU   B 63  ? 0.532273  0.323531  0.60554   0.0374283   -0.162609   0.0246611   75  GLU   B OE1  
2860 O OE2  . GLU   B 63  ? 0.470093  0.584131  0.606743  0.0462834   -0.164643   0.147861    75  GLU   B OE2  
2861 H H    . GLU   B 63  ? 0.471719  0.47268   0.604191  0.0490626   0.00747205  0.181557    75  GLU   B H    
2862 H HA   . GLU   B 63  ? 0.439845  0.43029   0.521358  0.046551    -0.0178378  0.160757    75  GLU   B HA   
2863 H HB2  . GLU   B 63  ? 0.487376  0.497876  0.519108  0.0477057   -0.064623   0.179795    75  GLU   B HB2  
2864 H HB3  . GLU   B 63  ? 0.481574  0.502484  0.52031   0.049252    -0.0642868  0.179427    75  GLU   B HB3  
2865 H HG2  . GLU   B 63  ? 0.476643  0.555933  0.54005   0.0395648   -0.120649   0.173187    75  GLU   B HG2  
2866 H HG3  . GLU   B 63  ? 0.476862  0.54699   0.543567  0.0370044   -0.122243   0.173487    75  GLU   B HG3  
2867 N N    . PRO   B 64  ? 0.288032  0.368775  0.402802  0.0293265   -0.0188082  0.12302     76  PRO   B N    
2868 C CA   . PRO   B 64  ? 0.250155  0.32515   0.307821  0.0156287   -0.012498   0.0920113   76  PRO   B CA   
2869 C C    . PRO   B 64  ? 0.188618  0.301871  0.196659  -0.0277704  -0.00593448 0.101151    76  PRO   B C    
2870 O O    . PRO   B 64  ? 0.166049  0.333615  0.165986  -0.00945298 0.00599814  0.0874343   76  PRO   B O    
2871 C CB   . PRO   B 64  ? 0.249971  0.377049  0.343096  0.0295286   -0.01081    0.10487     76  PRO   B CB   
2872 C CG   . PRO   B 64  ? 0.316109  0.418181  0.453321  0.0378347   0.00293294  0.12736     76  PRO   B CG   
2873 C CD   . PRO   B 64  ? 0.325011  0.428252  0.420031  0.0301127   0.0114208   0.13264     76  PRO   B CD   
2874 H HA   . PRO   B 64  ? 0.246528  0.326352  0.294392  0.00882701  -0.00624946 0.0883062   76  PRO   B HA   
2875 H HB2  . PRO   B 64  ? 0.269021  0.361315  0.344484  0.0230434   -0.0056934  0.0914595   76  PRO   B HB2  
2876 H HB3  . PRO   B 64  ? 0.269566  0.362424  0.342966  0.0242081   -0.0060337  0.0930881   76  PRO   B HB3  
2877 H HG2  . PRO   B 64  ? 0.319188  0.409633  0.41341   0.0326485   0.00259614  0.107575    76  PRO   B HG2  
2878 H HG3  . PRO   B 64  ? 0.31356   0.411028  0.418267  0.0310448   0.0044676   0.111291    76  PRO   B HG3  
2879 H HD2  . PRO   B 64  ? 0.324989  0.410735  0.42062   0.0270173   0.00424674  0.113662    76  PRO   B HD2  
2880 H HD3  . PRO   B 64  ? 0.325999  0.415981  0.419992  0.0244341   0.00284682  0.114069    76  PRO   B HD3  
2881 N N    . PHE   B 65  ? 0.185781  0.273451  0.163988  -0.0076532  -0.00990304 0.0556197   77  PHE   B N    
2882 C CA   . PHE   B 65  ? 0.177401  0.257601  0.12225   -0.015429   0.0157483   0.0370484   77  PHE   B CA   
2883 C C    . PHE   B 65  ? 0.158872  0.264067  0.115719  -0.0166444  0.0177486   0.0439728   77  PHE   B C    
2884 O O    . PHE   B 65  ? 0.18709   0.268066  0.130919  -0.0233463  0.0270656   0.069813    77  PHE   B O    
2885 C CB   . PHE   B 65  ? 0.207965  0.274461  0.138158  -0.0203886  -0.00208463 0.0261217   77  PHE   B CB   
2886 C CG   . PHE   B 65  ? 0.181926  0.307238  0.146487  -0.00412152 0.0281019   0.0303877   77  PHE   B CG   
2887 C CD1  . PHE   B 65  ? 0.252077  0.376451  0.163573  0.0359325   0.0107523   0.0316854   77  PHE   B CD1  
2888 C CD2  . PHE   B 65  ? 0.211696  0.340927  0.161921  0.00326948  0.0275477   0.0211615   77  PHE   B CD2  
2889 C CE1  . PHE   B 65  ? 0.247793  0.406171  0.203735  0.024352    0.0463063   0.0258804   77  PHE   B CE1  
2890 C CE2  . PHE   B 65  ? 0.164291  0.355692  0.176177  -0.00089515 0.0388068   0.031382    77  PHE   B CE2  
2891 C CZ   . PHE   B 65  ? 0.145493  0.380795  0.191124  0.00167975  0.0580595   0.0280949   77  PHE   B CZ   
2892 H H    . PHE   B 65  ? 0.188164  0.267258  0.164706  -0.0111977  -0.00105919 0.0532713   77  PHE   B H    
2893 H HA   . PHE   B 65  ? 0.18209   0.256496  0.133993  -0.011703   0.00923403  0.0382686   77  PHE   B HA   
2894 H HB2  . PHE   B 65  ? 0.197682  0.269058  0.146327  -0.0121731  0.0103942   0.0282264   77  PHE   B HB2  
2895 H HB3  . PHE   B 65  ? 0.197751  0.270247  0.144799  -0.0117887  0.0101721   0.0284429   77  PHE   B HB3  
2896 H HD1  . PHE   B 65  ? 0.234487  0.351477  0.181565  0.0212022   0.0239698   0.0287538   77  PHE   B HD1  
2897 H HD2  . PHE   B 65  ? 0.201057  0.325785  0.174419  0.00291783  0.0298101   0.0256875   77  PHE   B HD2  
2898 H HE1  . PHE   B 65  ? 0.230218  0.380621  0.20994   0.0208227   0.037939    0.0273042   77  PHE   B HE1  
2899 H HE2  . PHE   B 65  ? 0.182268  0.343122  0.185907  0.00434484  0.0394185   0.0291843   77  PHE   B HE2  
2900 H HZ   . PHE   B 65  ? 0.180544  0.362121  0.19814   0.0101161   0.0493512   0.0279817   77  PHE   B HZ   
2901 N N    . VAL   B 66  ? 0.172899  0.27247   0.117157  -0.048057   0.0119167   0.0509726   78  VAL   B N    
2902 C CA   . VAL   B 66  ? 0.116884  0.286138  0.129674  -0.03429    0.0122778   0.043437    78  VAL   B CA   
2903 C C    . VAL   B 66  ? 0.158361  0.302978  0.139046  -0.0329836  0.0101658   0.0338494   78  VAL   B C    
2904 O O    . VAL   B 66  ? 0.185601  0.373356  0.157121  -0.0464387  0.0200507   0.0223385   78  VAL   B O    
2905 C CB   . VAL   B 66  ? 0.112893  0.302068  0.14141   -0.026339   0.008471    0.0395742   78  VAL   B CB   
2906 C CG1  . VAL   B 66  ? 0.126341  0.338649  0.18178   -0.0176105  0.00518324  0.0345214   78  VAL   B CG1  
2907 C CG2  . VAL   B 66  ? 0.102738  0.323751  0.155235  -0.0321534  0.0252281   0.0534786   78  VAL   B CG2  
2908 H H    . VAL   B 66  ? 0.162027  0.265073  0.124659  -0.0303986  0.0168204   0.0457856   78  VAL   B H    
2909 H HA   . VAL   B 66  ? 0.14292   0.277481  0.136248  -0.0272921  0.0145235   0.0405289   78  VAL   B HA   
2910 H HB   . VAL   B 66  ? 0.127157  0.296737  0.151137  -0.0195884  0.0161892   0.0413017   78  VAL   B HB   
2911 H HG11 . VAL   B 66  ? 0.137701  0.316334  0.184043  -0.0133766  0.00984388  0.0342026   78  VAL   B HG11 
2912 H HG12 . VAL   B 66  ? 0.138061  0.316436  0.179249  -0.0137694  0.0100502   0.0354576   78  VAL   B HG12 
2913 H HG13 . VAL   B 66  ? 0.136187  0.315866  0.178823  -0.0131341  0.00920358  0.0353025   78  VAL   B HG13 
2914 H HG21 . VAL   B 66  ? 0.118143  0.304455  0.159325  -0.0213024  0.0207619   0.0472186   78  VAL   B HG21 
2915 H HG22 . VAL   B 66  ? 0.12122   0.302812  0.159719  -0.0225     0.0228122   0.0475221   78  VAL   B HG22 
2916 H HG23 . VAL   B 66  ? 0.121493  0.304568  0.159076  -0.0214862  0.0227332   0.0471002   78  VAL   B HG23 
2917 N N    . PHE   B 67  ? 0.138525  0.263421  0.143721  -0.0334401  0.0263874   0.00718307  79  PHE   B N    
2918 C CA   . PHE   B 67  ? 0.135505  0.266559  0.144768  -0.0227007  0.0231814   -0.00450543 79  PHE   B CA   
2919 C C    . PHE   B 67  ? 0.152289  0.282715  0.135915  -0.0351589  0.0685175   -0.00667932 79  PHE   B C    
2920 O O    . PHE   B 67  ? 0.150301  0.305189  0.130222  -0.0488434  0.0793102   0.00904826  79  PHE   B O    
2921 C CB   . PHE   B 67  ? 0.129485  0.273219  0.131702  -0.0256786  0.0703252   -0.00571093 79  PHE   B CB   
2922 C CG   . PHE   B 67  ? 0.137113  0.262092  0.153372  -0.0191851  0.0240885   -0.0114746  79  PHE   B CG   
2923 C CD1  . PHE   B 67  ? 0.12047   0.254726  0.139185  -0.0105975  0.0591293   -0.00387488 79  PHE   B CD1  
2924 C CD2  . PHE   B 67  ? 0.148322  0.250812  0.169438  -0.0171011  0.0302428   -0.00982856 79  PHE   B CD2  
2925 C CE1  . PHE   B 67  ? 0.165213  0.254728  0.166127  -0.00206366 0.0101351   -0.0261524  79  PHE   B CE1  
2926 C CE2  . PHE   B 67  ? 0.135423  0.243936  0.190315  -0.0245928  0.0365825   -0.012681   79  PHE   B CE2  
2927 C CZ   . PHE   B 67  ? 0.119067  0.240142  0.151201  -0.00354677 0.0313599   -0.0174087  79  PHE   B CZ   
2928 H H    . PHE   B 67  ? 0.147835  0.263819  0.14678   -0.0249429  0.0236095   0.0114804   79  PHE   B H    
2929 H HA   . PHE   B 67  ? 0.144531  0.261315  0.143784  -0.0222922  0.0374845   -0.00058097 79  PHE   B HA   
2930 H HB2  . PHE   B 67  ? 0.139001  0.257077  0.145025  -0.0171719  0.0477426   -0.0058372  79  PHE   B HB2  
2931 H HB3  . PHE   B 67  ? 0.139685  0.25771   0.14621   -0.0190612  0.0467727   -0.00328349 79  PHE   B HB3  
2932 H HD1  . PHE   B 67  ? 0.139208  0.246032  0.152735  -0.00745785 0.0382658   -0.0067286  79  PHE   B HD1  
2933 H HD2  . PHE   B 67  ? 0.148602  0.245199  0.17277   -0.0158244  0.0290811   -0.00897887 79  PHE   B HD2  
2934 H HE1  . PHE   B 67  ? 0.149427  0.244999  0.161542  -0.00324797 0.0268894   -0.0153806  79  PHE   B HE1  
2935 H HE2  . PHE   B 67  ? 0.141395  0.24115   0.177613  -0.0148324  0.0318076   -0.0110506  79  PHE   B HE2  
2936 H HZ   . PHE   B 67  ? 0.136531  0.236821  0.15923   -0.00575972 0.0251571   -0.0140017  79  PHE   B HZ   
2937 N N    . SER   B 68  ? 0.14771   0.270704  0.141055  -0.020889   0.0793339   0.00611095  80  SER   B N    
2938 C CA   . SER   B 68  ? 0.151128  0.26452   0.1639    -0.0375591  0.0773588   -0.00504782 80  SER   B CA   
2939 C C    . SER   B 68  ? 0.14805   0.251643  0.140996  -0.0386525  0.0602394   -0.0225028  80  SER   B C    
2940 O O    . SER   B 68  ? 0.168112  0.254806  0.198311  -0.040213   0.0746064   -0.0497002  80  SER   B O    
2941 C CB   . SER   B 68  ? 0.188047  0.312087  0.203034  -0.039315   0.0506872   -0.00382376 80  SER   B CB   
2942 O OG   . SER   B 68  ? 0.242096  0.364146  0.277146  -0.0796755  0.0182866   0.0246239   80  SER   B OG   
2943 H H    . SER   B 68  ? 0.152285  0.264103  0.143351  -0.0229786  0.0733954   0.00198979  80  SER   B H    
2944 H HA   . SER   B 68  ? 0.154763  0.262105  0.16137   -0.0280132  0.0675161   -0.00462927 80  SER   B HA   
2945 H HB2  . SER   B 68  ? 0.192683  0.301139  0.20809   -0.0396814  0.0487505   0.00112784  80  SER   B HB2  
2946 H HB3  . SER   B 68  ? 0.193028  0.302873  0.209498  -0.0389413  0.0471646   0.0002175   80  SER   B HB3  
2947 H HG   . SER   B 68  ? 0.294718  0.294718  0.294718  0           0           0           80  SER   B HG   
2948 N N    . LEU   B 69  ? 0.12553   0.253301  0.154828  -0.036038   0.0742602   -0.0037288  81  LEU   B N    
2949 C CA   . LEU   B 69  ? 0.118428  0.2628    0.131894  -0.00706261 0.101515    -0.0114175  81  LEU   B CA   
2950 C C    . LEU   B 69  ? 0.155093  0.258773  0.203144  -0.0001702  0.0628934   -0.0104775  81  LEU   B C    
2951 O O    . LEU   B 69  ? 0.106804  0.27835   0.201589  0.0110676   0.0715821   -0.0140559  81  LEU   B O    
2952 C CB   . LEU   B 69  ? 0.102189  0.272098  0.131781  -0.0164526  0.0994361   -0.00291616 81  LEU   B CB   
2953 C CG   . LEU   B 69  ? 0.121568  0.315974  0.133686  -0.0327156  0.101563    -0.0182921  81  LEU   B CG   
2954 C CD1  . LEU   B 69  ? 0.130121  0.327998  0.192592  -0.0346143  0.0780736   -0.0134174  81  LEU   B CD1  
2955 C CD2  . LEU   B 69  ? 0.139576  0.350683  0.152241  -0.0344039  0.123986    -0.0140179  81  LEU   B CD2  
2956 H H    . LEU   B 69  ? 0.133305  0.247769  0.151223  -0.0241515  0.0716335   -0.00707657 81  LEU   B H    
2957 H HA   . LEU   B 69  ? 0.130072  0.25354   0.153047  -0.0097814  0.0814987   -0.00560353 81  LEU   B HA   
2958 H HB2  . LEU   B 69  ? 0.118308  0.264831  0.139331  -0.0114399  0.0923785   -0.00499633 81  LEU   B HB2  
2959 H HB3  . LEU   B 69  ? 0.116813  0.264074  0.139563  -0.015018   0.0923192   -0.00439662 81  LEU   B HB3  
2960 H HG   . LEU   B 69  ? 0.132917  0.302348  0.154773  -0.0220008  0.0934253   -0.00896166 81  LEU   B HG   
2961 H HD11 . LEU   B 69  ? 0.14313   0.314116  0.188648  -0.0256175  0.0743117   -0.0115015  81  LEU   B HD11 
2962 H HD12 . LEU   B 69  ? 0.141178  0.314545  0.182922  -0.0262213  0.0772285   -0.0105321  81  LEU   B HD12 
2963 H HD13 . LEU   B 69  ? 0.141905  0.315696  0.183322  -0.0270295  0.0775198   -0.0103021  81  LEU   B HD13 
2964 H HD21 . LEU   B 69  ? 0.147742  0.326499  0.158667  -0.0250172  0.106942    -0.00986408 81  LEU   B HD21 
2965 H HD22 . LEU   B 69  ? 0.148727  0.327914  0.158712  -0.0263973  0.106566    -0.00935884 81  LEU   B HD22 
2966 H HD23 . LEU   B 69  ? 0.148622  0.326575  0.159521  -0.0253894  0.107441    -0.0101513  81  LEU   B HD23 
2967 N N    . GLY   B 70  ? 0.153372  0.269451  0.202554  0.0441836   0.107488    -0.0161538  82  GLY   B N    
2968 C CA   . GLY   B 70  ? 0.25528   0.28416   0.229828  0.0335838   0.0790627   -0.0243614  82  GLY   B CA   
2969 C C    . GLY   B 70  ? 0.269093  0.292201  0.238204  0.0462773   0.105757    -0.0377842  82  GLY   B C    
2970 O O    . GLY   B 70  ? 0.474129  0.275398  0.282048  0.0161056   0.058288    -0.0332397  82  GLY   B O    
2971 H H    . GLY   B 70  ? 0.176282  0.263853  0.206689  0.0276654   0.0805686   -0.0137402  82  GLY   B H    
2972 H HA2  . GLY   B 70  ? 0.234768  0.279901  0.229281  0.0348508   0.0823377   -0.0217979  82  GLY   B HA2  
2973 H HA3  . GLY   B 70  ? 0.233478  0.282706  0.231135  0.0357604   0.0793965   -0.0237966  82  GLY   B HA3  
2974 N N    . LYS   B 71  ? 0.223665  0.260458  0.249065  0.0066754   0.0800686   -0.0136368  83  LYS   B N    
2975 C CA   . LYS   B 71  ? 0.240172  0.300872  0.237289  -0.00180426 0.0871207   -0.0391001  83  LYS   B CA   
2976 C C    . LYS   B 71  ? 0.236551  0.339799  0.223048  -0.00876362 0.0734402   -0.0314411  83  LYS   B C    
2977 O O    . LYS   B 71  ? 0.341237  0.361783  0.195885  -0.0317927  0.0602032   -0.0766302  83  LYS   B O    
2978 C CB   . LYS   B 71  ? 0.271009  0.344257  0.225801  0.00210365  0.0514757   -0.0372065  83  LYS   B CB   
2979 C CG   . LYS   B 71  ? 0.288749  0.390716  0.308202  -0.00758869 0.058589    -0.0232216  83  LYS   B CG   
2980 H H    . LYS   B 71  ? 0.235447  0.268722  0.24317   0.0126268   0.0776246   -0.0221001  83  LYS   B H    
2981 H HA   . LYS   B 71  ? 0.244111  0.299423  0.239071  1.953e-05   0.0689535   -0.0277114  83  LYS   B HA   
2982 H HB2  . LYS   B 71  ? 0.268508  0.334585  0.246722  -0.00051013 0.0559725   -0.030428   83  LYS   B HB2  
2983 H HB3  . LYS   B 71  ? 0.268786  0.334101  0.239152  -0.00029024 0.0572908   -0.0329196  83  LYS   B HB3  
2984 H HG2  . LYS   B 71  ? 0.333093  0.333093  0.333093  0           0           0           83  LYS   B HG2  
2985 H HG3  . LYS   B 71  ? 0.333093  0.333093  0.333093  0           0           0           83  LYS   B HG3  
2986 N N    . GLY   B 72  ? 0.246445  0.350829  0.220704  -0.0242167  0.0740911   -0.0196907  84  GLY   B N    
2987 C CA   . GLY   B 72  ? 0.204256  0.352055  0.224018  -0.0153956  0.0888236   -0.0517559  84  GLY   B CA   
2988 C C    . GLY   B 72  ? 0.220759  0.354169  0.200994  0.0108891   0.0692892   -0.0351502  84  GLY   B C    
2989 O O    . GLY   B 72  ? 0.299387  0.363199  0.23896   0.0170084   0.111288    -0.0856545  84  GLY   B O    
2990 H H    . GLY   B 72  ? 0.238992  0.339067  0.230359  -0.0140756  0.0699489   -0.0249599  84  GLY   B H    
2991 H HA2  . GLY   B 72  ? 0.222204  0.341113  0.22321   -0.00830936 0.0717583   -0.0354863  84  GLY   B HA2  
2992 H HA3  . GLY   B 72  ? 0.222345  0.338536  0.223012  -0.00578769 0.0743299   -0.0368574  84  GLY   B HA3  
2993 N N    . GLN   B 73  ? 0.202327  0.379069  0.207665  0.00326387  0.0534244   -0.0408465  85  GLN   B N    
2994 C CA   . GLN   B 73  ? 0.195314  0.328946  0.177182  -0.0200989  0.0344018   -0.0205861  85  GLN   B CA   
2995 C C    . GLN   B 73  ? 0.233722  0.340528  0.20685   -0.0112145  0.0200081   0.00736874  85  GLN   B C    
2996 O O    . GLN   B 73  ? 0.212256  0.323613  0.203184  0.00308316  0.0416625   0.0135065   85  GLN   B O    
2997 C CB   . GLN   B 73  ? 0.222656  0.353167  0.182837  -0.0494146  0.0478044   -0.0242114  85  GLN   B CB   
2998 C CG   . GLN   B 73  ? 0.208666  0.359881  0.197941  -0.0746713  0.0837336   -0.0143468  85  GLN   B CG   
2999 C CD   . GLN   B 73  ? 0.243203  0.340223  0.221069  -0.0669472  0.0735251   -0.0344209  85  GLN   B CD   
3000 O OE1  . GLN   B 73  ? 0.230462  0.299502  0.162464  -0.0445659  0.102571    -0.0579864  85  GLN   B OE1  
3001 N NE2  . GLN   B 73  ? 0.292735  0.388164  0.198051  -0.109556   0.107332    -0.0410635  85  GLN   B NE2  
3002 H H    . GLN   B 73  ? 0.21652   0.351032  0.211115  0.00133964  0.0477001   -0.0281931  85  GLN   B H    
3003 H HA   . GLN   B 73  ? 0.212586  0.331773  0.188514  -0.0143599  0.0386512   -0.0165856  85  GLN   B HA   
3004 H HB2  . GLN   B 73  ? 0.219437  0.33878   0.19296   -0.0395253  0.0500717   -0.0164472  85  GLN   B HB2  
3005 H HB3  . GLN   B 73  ? 0.219638  0.33876   0.195106  -0.0395715  0.0496812   -0.0164177  85  GLN   B HB3  
3006 H HG2  . GLN   B 73  ? 0.225587  0.343829  0.202205  -0.0564171  0.0688028   -0.0173388  85  GLN   B HG2  
3007 H HG3  . GLN   B 73  ? 0.225499  0.34338   0.207288  -0.0557521  0.0671467   -0.0165362  85  GLN   B HG3  
3008 H HE21 . GLN   B 73  ? 0.288284  0.365072  0.2184    -0.0832399  0.0854661   -0.0312712  85  GLN   B HE21 
3009 H HE22 . GLN   B 73  ? 0.281936  0.369169  0.219098  -0.0842234  0.0850938   -0.0297219  85  GLN   B HE22 
3010 N N    . VAL   B 74  ? 0.233476  0.267268  0.190219  -0.0169369  0.0242541   -0.0123329  86  VAL   B N    
3011 C CA   . VAL   B 74  ? 0.155917  0.258997  0.164941  -0.00071514 0.0286653   -0.00465706 86  VAL   B CA   
3012 C C    . VAL   B 74  ? 0.161459  0.233968  0.178096  0.00428128  0.0371219   -0.0009689  86  VAL   B C    
3013 O O    . VAL   B 74  ? 0.110341  0.238673  0.201318  0.0309031   0.0485152   0.0111474   86  VAL   B O    
3014 C CB   . VAL   B 74  ? 0.147548  0.237362  0.188265  0.0113626   0.017216    -0.00962948 86  VAL   B CB   
3015 C CG1  . VAL   B 74  ? 0.157032  0.269362  0.203434  0.0220686   0.00877095  -0.00618849 86  VAL   B CG1  
3016 C CG2  . VAL   B 74  ? 0.152414  0.258989  0.203466  0.0293658   0.010469    -0.00509413 86  VAL   B CG2  
3017 H H    . VAL   B 74  ? 0.212816  0.272275  0.192395  -0.00895916 0.0235514   -0.00399266 86  VAL   B H    
3018 H HA   . VAL   B 74  ? 0.171121  0.244802  0.177917  0.00016192  0.025794    -0.00348874 86  VAL   B HA   
3019 H HB   . VAL   B 74  ? 0.155022  0.241597  0.18832   0.0107489   0.0144211   -0.00695349 86  VAL   B HB   
3020 H HG11 . VAL   B 74  ? 0.163062  0.254815  0.202042  0.0175968   0.0115764   -0.0050517  86  VAL   B HG11 
3021 H HG12 . VAL   B 74  ? 0.162723  0.256089  0.202768  0.018163    0.0104066   -0.00672692 86  VAL   B HG12 
3022 H HG13 . VAL   B 74  ? 0.162781  0.254831  0.203147  0.0168247   0.0102312   -0.00465832 86  VAL   B HG13 
3023 H HG21 . VAL   B 74  ? 0.158783  0.247368  0.200805  0.0211323   0.0121088   -0.00355568 86  VAL   B HG21 
3024 H HG22 . VAL   B 74  ? 0.157866  0.246682  0.19984   0.0221156   0.0120138   -0.00374759 86  VAL   B HG22 
3025 H HG23 . VAL   B 74  ? 0.159969  0.248083  0.200479  0.0219018   0.013067    -0.00360919 86  VAL   B HG23 
3026 N N    . ILE   B 75  ? 0.163979  0.237216  0.165957  0.00413192  0.0415032   -0.00523046 87  ILE   B N    
3027 C CA   . ILE   B 75  ? 0.155526  0.244916  0.158455  0.00276386  0.0568199   0.00460967  87  ILE   B CA   
3028 C C    . ILE   B 75  ? 0.115906  0.253685  0.122755  0.0208414   0.0741116   -4.812e-05  87  ILE   B C    
3029 O O    . ILE   B 75  ? 0.127221  0.223775  0.118664  0.0306178   0.0807732   -0.0180361  87  ILE   B O    
3030 C CB   . ILE   B 75  ? 0.152651  0.267842  0.134273  -0.00413793 0.0540135   -0.00213751 87  ILE   B CB   
3031 C CG1  . ILE   B 75  ? 0.203858  0.255071  0.17049   -0.009458   0.033226    -0.0102142  87  ILE   B CG1  
3032 C CG2  . ILE   B 75  ? 0.184396  0.300744  0.144245  -0.00711145 0.06879     0.00125624  87  ILE   B CG2  
3033 C CD1  . ILE   B 75  ? 0.17386   0.257847  0.163126  -0.0242428  0.0469866   -0.00418607 87  ILE   B CD1  
3034 H H    . ILE   B 75  ? 0.1651    0.232286  0.169969  0.00374225  0.0394176   -0.0011484  87  ILE   B H    
3035 H HA   . ILE   B 75  ? 0.155012  0.245015  0.156226  0.00473137  0.0502574   0.00336976  87  ILE   B HA   
3036 H HB   . ILE   B 75  ? 0.167482  0.256836  0.151954  -0.00048147 0.0470261   0.00139377  87  ILE   B HB   
3037 H HG12 . ILE   B 75  ? 0.188487  0.254851  0.168001  -0.00914569 0.0379263   -0.00619583 87  ILE   B HG12 
3038 H HG13 . ILE   B 75  ? 0.189454  0.256142  0.171655  -0.00630718 0.0345634   -0.00870583 87  ILE   B HG13 
3039 H HG21 . ILE   B 75  ? 0.181078  0.282856  0.153114  -0.00333662 0.0586881   0.00289343  87  ILE   B HG21 
3040 H HG22 . ILE   B 75  ? 0.18204   0.283241  0.153888  -0.0049177  0.0598778   0.00179177  87  ILE   B HG22 
3041 H HG23 . ILE   B 75  ? 0.180798  0.283603  0.153591  -0.00469514 0.0578246   0.00365075  87  ILE   B HG23 
3042 H HD11 . ILE   B 75  ? 0.18417   0.250567  0.168903  -0.0170411  0.0396292   -0.00387092 87  ILE   B HD11 
3043 H HD12 . ILE   B 75  ? 0.184063  0.25034   0.168761  -0.0169028  0.0397445   -0.00402917 87  ILE   B HD12 
3044 H HD13 . ILE   B 75  ? 0.182864  0.249562  0.166403  -0.0181762  0.0415137   -0.00203443 87  ILE   B HD13 
3045 N N    . LYS   B 76  ? 0.151157  0.246976  0.16341   0.0169657   0.0665365   -0.00346686 88  LYS   B N    
3046 C CA   . LYS   B 76  ? 0.149719  0.234926  0.184284  0.0253308   0.0314072   0.00441898  88  LYS   B CA   
3047 C C    . LYS   B 76  ? 0.14195   0.216609  0.183624  0.00844277  0.0485983   0.00034454  88  LYS   B C    
3048 O O    . LYS   B 76  ? 0.148004  0.21847   0.227138  -0.00808381 0.0613632   0.00644676  88  LYS   B O    
3049 C CB   . LYS   B 76  ? 0.17379   0.277143  0.230432  0.0446406   0.0272713   0.023936    88  LYS   B CB   
3050 C CG   . LYS   B 76  ? 0.252726  0.379614  0.260081  0.0319705   0.0696764   0.043464    88  LYS   B CG   
3051 H H    . LYS   B 76  ? 0.146989  0.240411  0.161151  0.0181589   0.0552122   0.00044873  88  LYS   B H    
3052 H HA   . LYS   B 76  ? 0.154849  0.233099  0.186662  0.0191608   0.0368884   0.00475816  88  LYS   B HA   
3053 H HB2  . LYS   B 76  ? 0.182557  0.272025  0.226039  0.0324235   0.031278    0.0217812   88  LYS   B HB2  
3054 H HB3  . LYS   B 76  ? 0.182191  0.271325  0.221622  0.0325531   0.0321495   0.0202595   88  LYS   B HB3  
3055 H HG2  . LYS   B 76  ? 0.30789   0.30789   0.30789   0           0           0           88  LYS   B HG2  
3056 H HG3  . LYS   B 76  ? 0.30789   0.30789   0.30789   0           0           0           88  LYS   B HG3  
3057 N N    . ALA   B 77  ? 0.149073  0.202691  0.128738  -0.00683901 0.0621042   -0.0165142  89  ALA   B N    
3058 C CA   . ALA   B 77  ? 0.130614  0.20877   0.143072  0.00790896  0.0500996   -0.0240991  89  ALA   B CA   
3059 C C    . ALA   B 77  ? 0.124697  0.206548  0.134202  0.00292131  0.0667886   -0.0177866  89  ALA   B C    
3060 O O    . ALA   B 77  ? 0.110837  0.206433  0.132792  0.0233927   0.059025    -0.0142767  89  ALA   B O    
3061 C CB   . ALA   B 77  ? 0.143695  0.230194  0.171756  0.00290957  0.0454155   -0.041665   89  ALA   B CB   
3062 H H    . ALA   B 77  ? 0.140843  0.201285  0.141725  -0.00208741 0.0546729   -0.0100995  89  ALA   B H    
3063 H HA   . ALA   B 77  ? 0.138317  0.20486   0.144835  0.00358057  0.0493759   -0.0197031  89  ALA   B HA   
3064 H HB1  . ALA   B 77  ? 0.146932  0.220101  0.166146  0.00373504  0.0428724   -0.0309815  89  ALA   B HB1  
3065 H HB2  . ALA   B 77  ? 0.145191  0.221497  0.168357  0.00372881  0.0433606   -0.0326386  89  ALA   B HB2  
3066 H HB3  . ALA   B 77  ? 0.145068  0.219989  0.166666  0.00406081  0.0428153   -0.0304977  89  ALA   B HB3  
3067 N N    . TRP   B 78  ? 0.0659978 0.199627  0.148101  0.0140872   0.0791196   -0.0156275  90  TRP   B N    
3068 C CA   . TRP   B 78  ? 0.0836549 0.205064  0.137833  0.0326866   0.0679237   -0.018456   90  TRP   B CA   
3069 C C    . TRP   B 78  ? 0.0736874 0.209644  0.113601  0.0210517   0.0827005   -0.00771643 90  TRP   B C    
3070 O O    . TRP   B 78  ? 0.0710409 0.229395  0.13785   -0.00911895 0.0921914   -0.00684635 90  TRP   B O    
3071 C CB   . TRP   B 78  ? 0.0875272 0.206742  0.137224  0.0259337   0.0632846   -0.0131343  90  TRP   B CB   
3072 C CG   . TRP   B 78  ? 0.0817126 0.209272  0.141461  0.0226955   0.0514492   -0.0105912  90  TRP   B CG   
3073 C CD1  . TRP   B 78  ? 0.0528067 0.210176  0.134093  0.0203545   0.0627344   -0.00183501 90  TRP   B CD1  
3074 C CD2  . TRP   B 78  ? 0.0564995 0.199494  0.134383  0.0205868   0.0613285   -0.0207776  90  TRP   B CD2  
3075 N NE1  . TRP   B 78  ? 0.0442735 0.211949  0.150217  -0.00474506 0.0736272   0.00514597  90  TRP   B NE1  
3076 C CE2  . TRP   B 78  ? 0.0590343 0.214109  0.123981  0.0109792   0.0630754   -0.0037537  90  TRP   B CE2  
3077 C CE3  . TRP   B 78  ? 0.0807888 0.215442  0.139404  0.0160503   0.0360743   -0.0195539  90  TRP   B CE3  
3078 C CZ2  . TRP   B 78  ? 0.0857848 0.215183  0.130035  -0.00139302 0.0692928   -0.00809209 90  TRP   B CZ2  
3079 C CZ3  . TRP   B 78  ? 0.0846466 0.22205   0.149544  0.0122571   0.0388417   -0.016818   90  TRP   B CZ3  
3080 C CH2  . TRP   B 78  ? 0.0968949 0.212399  0.156926  0.00658321  0.0447231   -0.0145285  90  TRP   B CH2  
3081 H H    . TRP   B 78  ? 0.0902838 0.196801  0.138172  0.0148557   0.0685506   -0.0127538  90  TRP   B H    
3082 H HA   . TRP   B 78  ? 0.0875681 0.198979  0.135711  0.0238658   0.0662788   -0.0124435  90  TRP   B HA   
3083 H HB2  . TRP   B 78  ? 0.0924031 0.200688  0.137339  0.025415    0.0579186   -0.0117858  90  TRP   B HB2  
3084 H HB3  . TRP   B 78  ? 0.0929937 0.201204  0.139974  0.024673    0.056238    -0.010771   90  TRP   B HB3  
3085 H HD1  . TRP   B 78  ? 0.0643153 0.202602  0.140355  0.0185985   0.0573802   0.00133784  90  TRP   B HD1  
3086 H HE1  . TRP   B 78  ? 0.062796  0.201175  0.141136  0.00328462  0.0622283   0.002544    90  TRP   B HE1  
3087 H HE3  . TRP   B 78  ? 0.0860074 0.204865  0.142731  0.0151896   0.0406278   -0.0146948  90  TRP   B HE3  
3088 H HZ2  . TRP   B 78  ? 0.0905137 0.204787  0.13735   0.00372853  0.0565209   -0.00594103 90  TRP   B HZ2  
3089 H HZ3  . TRP   B 78  ? 0.0930814 0.211819  0.149726  0.0120438   0.0363877   -0.0125686  90  TRP   B HZ3  
3090 H HH2  . TRP   B 78  ? 0.100536  0.209516  0.150408  0.00697521  0.0449585   -0.00954494 90  TRP   B HH2  
3091 N N    . ASP   B 79  ? 0.112556  0.203451  0.114965  0.0153908   0.0721572   -0.00280401 91  ASP   B N    
3092 C CA   . ASP   B 79  ? 0.103489  0.227936  0.157109  0.0155186   0.0694064   -0.00507849 91  ASP   B CA   
3093 C C    . ASP   B 79  ? 0.0933501 0.243919  0.166535  -0.00491933 0.0807639   0.0249028   91  ASP   B C    
3094 O O    . ASP   B 79  ? 0.0797798 0.29575   0.194413  0.0238235   0.102047    0.0373791   91  ASP   B O    
3095 C CB   . ASP   B 79  ? 0.152137  0.223661  0.184664  0.00852139  0.0478701   -0.0178754  91  ASP   B CB   
3096 C CG   . ASP   B 79  ? 0.177916  0.221375  0.180824  0.00908288  0.0417265   -0.0281509  91  ASP   B CG   
3097 O OD1  . ASP   B 79  ? 0.218418  0.250696  0.194366  0.0109806   -0.00603895 -0.0141586  91  ASP   B OD1  
3098 O OD2  . ASP   B 79  ? 0.179577  0.246686  0.213677  0.00946102  0.0672773   -0.0358247  91  ASP   B OD2  
3099 H H    . ASP   B 79  ? 0.104208  0.203583  0.124543  0.0160871   0.0687513   -0.00284407 91  ASP   B H    
3100 H HA   . ASP   B 79  ? 0.113214  0.218157  0.155414  0.0120065   0.0614243   0.0001701   91  ASP   B HA   
3101 H HB2  . ASP   B 79  ? 0.153747  0.220964  0.178046  0.00960027  0.0468345   -0.0140937  91  ASP   B HB2  
3102 H HB3  . ASP   B 79  ? 0.15098   0.221391  0.178382  0.00961226  0.0471958   -0.0141291  91  ASP   B HB3  
3103 N N    . ILE   B 80  ? 0.110354  0.224807  0.187113  0.019441    0.0688832   0.0081431   92  ILE   B N    
3104 C CA   . ILE   B 80  ? 0.123146  0.229732  0.183462  0.00987239  0.0642207   0.00840596  92  ILE   B CA   
3105 C C    . ILE   B 80  ? 0.0960447 0.201932  0.163797  0.00457524  0.0670263   0.00830331  92  ILE   B C    
3106 O O    . ILE   B 80  ? 0.162457  0.204748  0.164808  -0.0166462  0.0652022   0.0277559   92  ILE   B O    
3107 C CB   . ILE   B 80  ? 0.152776  0.261091  0.225212  0.0408875   0.0442061   0.00138389  92  ILE   B CB   
3108 C CG1  . ILE   B 80  ? 0.161327  0.284124  0.237677  0.0442548   0.0516487   -0.00611322 92  ILE   B CG1  
3109 C CG2  . ILE   B 80  ? 0.15147   0.289209  0.262219  0.0230364   0.0475545   0.00634547  92  ILE   B CG2  
3110 C CD1  . ILE   B 80  ? 0.17701   0.324675  0.256234  0.0296016   0.0595948   -0.0174125  92  ILE   B CD1  
3111 H H    . ILE   B 80  ? 0.119527  0.226303  0.181674  0.011689    0.0633854   0.0114646   92  ILE   B H    
3112 H HA   . ILE   B 80  ? 0.126227  0.22108   0.184931  0.0139726   0.0571956   0.00772318  92  ILE   B HA   
3113 H HB   . ILE   B 80  ? 0.156266  0.259744  0.222709  0.029848    0.0455496   0.00211083  92  ILE   B HB   
3114 H HG12 . ILE   B 80  ? 0.170973  0.279576  0.237108  0.0361442   0.0468629   -0.00440289 92  ILE   B HG12 
3115 H HG13 . ILE   B 80  ? 0.17001   0.278945  0.235579  0.0358006   0.0467057   -0.00438711 92  ILE   B HG13 
3116 H HG21 . ILE   B 80  ? 0.161605  0.277209  0.249254  0.0260074   0.0421463   0.00619201  92  ILE   B HG21 
3117 H HG22 . ILE   B 80  ? 0.16317   0.277303  0.24936   0.0259498   0.0422738   0.0061076   92  ILE   B HG22 
3118 H HG23 . ILE   B 80  ? 0.163041  0.279418  0.24955   0.0244328   0.0416955   0.00804877  92  ILE   B HG23 
3119 H HD11 . ILE   B 80  ? 0.183613  0.309175  0.253605  0.0321526   0.0512207   -0.0122728  92  ILE   B HD11 
3120 H HD12 . ILE   B 80  ? 0.183602  0.308587  0.253475  0.0308764   0.0512365   -0.00972967 92  ILE   B HD12 
3121 H HD13 . ILE   B 80  ? 0.183676  0.30682   0.253951  0.0314495   0.0521707   -0.0108     92  ILE   B HD13 
3122 N N    . GLY   B 81  ? 0.103201  0.202994  0.150882  0.0142428   0.0609577   -0.00674068 93  GLY   B N    
3123 C CA   . GLY   B 81  ? 0.132304  0.200004  0.143561  -0.00627802 0.060922    0.00202738  93  GLY   B CA   
3124 C C    . GLY   B 81  ? 0.128613  0.19058   0.112145  0.00358581  0.0813516   -0.00073553 93  GLY   B C    
3125 O O    . GLY   B 81  ? 0.102238  0.192341  0.114415  -0.00106115 0.0883241   0.0087733   93  GLY   B O    
3126 H H    . GLY   B 81  ? 0.114111  0.19785   0.153179  0.00745509  0.0562129   -0.00039873 93  GLY   B H    
3127 H HA2  . GLY   B 81  ? 0.129036  0.194809  0.141855  0.0011875   0.0589005   -0.00013747 93  GLY   B HA2  
3128 H HA3  . GLY   B 81  ? 0.12846   0.193635  0.140498  0.00068434  0.0593279   5.999e-05   93  GLY   B HA3  
3129 N N    . VAL   B 82  ? 0.0844859 0.199316  0.110736  -0.0026406  0.0819377   0.0164368   94  VAL   B N    
3130 C CA   . VAL   B 82  ? 0.117956  0.183899  0.146742  0.0183437   0.0439664   -0.00712979 94  VAL   B CA   
3131 C C    . VAL   B 82  ? 0.105072  0.198689  0.140349  0.0165429   0.0468226   -0.010083   94  VAL   B C    
3132 O O    . VAL   B 82  ? 0.101333  0.17654   0.17008   0.00039573  0.0614401   -0.0236305  94  VAL   B O    
3133 C CB   . VAL   B 82  ? 0.156721  0.199232  0.155904  0.0180033   0.0315059   -0.0204395  94  VAL   B CB   
3134 C CG1  . VAL   B 82  ? 0.172007  0.256138  0.170337  0.00760702  0.0263198   -0.0146165  94  VAL   B CG1  
3135 C CG2  . VAL   B 82  ? 0.179649  0.18168   0.158242  0.0297719   0.040165    -0.0174233  94  VAL   B CG2  
3136 H H    . VAL   B 82  ? 0.102234  0.18765   0.107179  0.00507423  0.0735735   0.00495493  94  VAL   B H    
3137 H HA   . VAL   B 82  ? 0.119061  0.186565  0.139973  0.0121432   0.0466989   -0.00489851 94  VAL   B HA   
3138 H HB   . VAL   B 82  ? 0.155364  0.196844  0.156856  0.0166186   0.0324153   -0.0150764  94  VAL   B HB   
3139 H HG11 . VAL   B 82  ? 0.171544  0.237278  0.174155  0.00935236  0.0249579   -0.010364   94  VAL   B HG11 
3140 H HG12 . VAL   B 82  ? 0.171533  0.236797  0.171513  0.0118461   0.0256707   -0.0139031  94  VAL   B HG12 
3141 H HG13 . VAL   B 82  ? 0.171439  0.234683  0.172878  0.0100936   0.026239    -0.0136035  94  VAL   B HG13 
3142 H HG21 . VAL   B 82  ? 0.172374  0.186383  0.15956   0.0226311   0.0341232   -0.0160577  94  VAL   B HG21 
3143 H HG22 . VAL   B 82  ? 0.17373   0.186541  0.158598  0.0219446   0.0344505   -0.0156421  94  VAL   B HG22 
3144 H HG23 . VAL   B 82  ? 0.172274  0.185295  0.158385  0.0228997   0.0342509   -0.0168155  94  VAL   B HG23 
3145 N N    . ALA   B 83  ? 0.133304  0.186153  0.169881  -0.0186881  0.0540851   -0.0247978  95  ALA   B N    
3146 C CA   . ALA   B 83  ? 0.158722  0.194679  0.154503  -0.0214111  0.0513388   -0.0164259  95  ALA   B CA   
3147 C C    . ALA   B 83  ? 0.145093  0.210513  0.137239  -0.0239216  0.0792379   -0.0108394  95  ALA   B C    
3148 O O    . ALA   B 83  ? 0.157662  0.242088  0.197805  -0.0482245  0.0753334   -0.0063239  95  ALA   B O    
3149 C CB   . ALA   B 83  ? 0.178515  0.200779  0.189227  -0.0239431  0.0537602   -0.0230683  95  ALA   B CB   
3150 H H    . ALA   B 83  ? 0.13535   0.188776  0.159198  -0.00835243 0.046563    -0.0161534  95  ALA   B H    
3151 H HA   . ALA   B 83  ? 0.154731  0.194441  0.160628  -0.01894    0.0514518   -0.0157412  95  ALA   B HA   
3152 H HB1  . ALA   B 83  ? 0.174011  0.200243  0.184196  -0.0197414  0.0480738   -0.0174261  95  ALA   B HB1  
3153 H HB2  . ALA   B 83  ? 0.17665   0.199538  0.180409  -0.0198174  0.0484824   -0.0178659  95  ALA   B HB2  
3154 H HB3  . ALA   B 83  ? 0.174799  0.200506  0.180451  -0.019177   0.047316    -0.018574   95  ALA   B HB3  
3155 N N    . THR   B 84  ? 0.130265  0.208866  0.115664  -0.0247926  0.0795154   0.00490178  96  THR   B N    
3156 C CA   . THR   B 84  ? 0.153932  0.209787  0.11722   -0.0272518  0.0706282   -0.00098577 96  THR   B CA   
3157 C C    . THR   B 84  ? 0.172726  0.229131  0.133378  -0.00813274 0.0605364   0.0110627   96  THR   B C    
3158 O O    . THR   B 84  ? 0.200306  0.230651  0.129659  0.0195936   0.0828586   0.0160483   96  THR   B O    
3159 C CB   . THR   B 84  ? 0.18591   0.235685  0.15582   -0.00695506 0.0413145   0.014295    96  THR   B CB   
3160 O OG1  . THR   B 84  ? 0.144441  0.245306  0.140061  -0.033973   0.0700007   0.035205    96  THR   B OG1  
3161 C CG2  . THR   B 84  ? 0.178758  0.213958  0.17232   0.00159971  0.0508083   0.0215372   96  THR   B CG2  
3162 H H    . THR   B 84  ? 0.134381  0.200551  0.122594  -0.0249659  0.0726683   0.0038055   96  THR   B H    
3163 H HA   . THR   B 84  ? 0.156173  0.20792   0.129611  -0.0182666  0.0598333   0.00608244  96  THR   B HA   
3164 H HB   . THR   B 84  ? 0.171773  0.225355  0.157564  -0.0125592  0.0492908   0.0146454   96  THR   B HB   
3165 H HG1  . THR   B 84  ? 0.180985  0.180985  0.180985  0           0           0           96  THR   B HG1  
3166 H HG21 . THR   B 84  ? 0.181458  0.217371  0.170113  -0.00101948 0.0432255   0.0172718   96  THR   B HG21 
3167 H HG22 . THR   B 84  ? 0.180332  0.217129  0.171425  -0.0014421  0.043403    0.0170513   96  THR   B HG22 
3168 H HG23 . THR   B 84  ? 0.180821  0.215508  0.16987   -0.00164329 0.0432617   0.0177467   96  THR   B HG23 
3169 N N    . MET   B 85  ? 0.16565   0.188836  0.132792  -0.0115622  0.0615471   -0.00255229 97  MET   B N    
3170 C CA   . MET   B 85  ? 0.17053   0.193639  0.13929   -0.0189868  0.0526761   -0.00790734 97  MET   B CA   
3171 C C    . MET   B 85  ? 0.168014  0.189956  0.145559  -0.0119494  0.0614135   -0.0206377  97  MET   B C    
3172 O O    . MET   B 85  ? 0.135083  0.205432  0.17252   -0.0221617  0.0579517   -0.0152108  97  MET   B O    
3173 C CB   . MET   B 85  ? 0.18534   0.161806  0.145218  -0.0171244  0.0460741   -0.00447163 97  MET   B CB   
3174 C CG   . MET   B 85  ? 0.171666  0.171546  0.137452  -0.0172983  0.0510085   -0.0100214  97  MET   B CG   
3175 S SD   . MET   B 85  ? 0.142537  0.18954   0.147947  -0.0365829  0.111384    -0.0096221  97  MET   B SD   
3176 C CE   . MET   B 85  ? 0.182126  0.192211  0.153464  -0.0211727  0.0690441   -0.0250842  97  MET   B CE   
3177 H H    . MET   B 85  ? 0.16684   0.194464  0.135956  -0.0110109  0.0530827   -0.00090015 97  MET   B H    
3178 H HA   . MET   B 85  ? 0.170563  0.185713  0.142958  -0.0135579  0.0486322   -0.0075344  97  MET   B HA   
3179 H HB2  . MET   B 85  ? 0.175981  0.171619  0.145717  -0.0154068  0.0440597   -0.00558332 97  MET   B HB2  
3180 H HB3  . MET   B 85  ? 0.175843  0.170763  0.145092  -0.0150221  0.0442418   -0.0058733  97  MET   B HB3  
3181 H HG2  . MET   B 85  ? 0.167294  0.171629  0.140302  -0.0187355  0.0535908   -0.00891578 97  MET   B HG2  
3182 H HG3  . MET   B 85  ? 0.167103  0.171705  0.142649  -0.018272   0.0547893   -0.00775768 97  MET   B HG3  
3183 H HE1  . MET   B 85  ? 0.172839  0.193158  0.155234  -0.0209979  0.069678    -0.0197735  97  MET   B HE1  
3184 H HE2  . MET   B 85  ? 0.178496  0.191518  0.154435  -0.0201611  0.0692327   -0.0187713  97  MET   B HE2  
3185 H HE3  . MET   B 85  ? 0.172636  0.19136   0.152623  -0.0214657  0.0690839   -0.019032   97  MET   B HE3  
3186 N N    . LYS   B 86  ? 0.155076  0.226175  0.140743  0.0154174   0.0753132   -0.00608575 98  LYS   B N    
3187 C CA   . LYS   B 86  ? 0.154224  0.233028  0.161788  0.0127678   0.0937417   -0.00107304 98  LYS   B CA   
3188 C C    . LYS   B 86  ? 0.129234  0.242667  0.170084  0.0160062   0.0892024   -0.0106922  98  LYS   B C    
3189 O O    . LYS   B 86  ? 0.186413  0.215997  0.136801  0.0213399   0.0895474   -0.010374   98  LYS   B O    
3190 C CB   . LYS   B 86  ? 0.207829  0.289134  0.161018  0.0120786   0.0932164   0.0315686   98  LYS   B CB   
3191 C CG   . LYS   B 86  ? 0.247956  0.35859   0.19097   0.0210628   0.104066    0.0521295   98  LYS   B CG   
3192 C CD   . LYS   B 86  ? 0.294215  0.386642  0.214609  -0.0111474  0.100226    0.0650121   98  LYS   B CD   
3193 C CE   . LYS   B 86  ? 0.278585  0.436015  0.33144   0.0302646   0.0835052   0.0890665   98  LYS   B CE   
3194 N NZ   . LYS   B 86  ? 0.281594  0.494287  0.328276  -0.0152823  0.167183    0.157065    98  LYS   B NZ   
3195 H H    . LYS   B 86  ? 0.161566  0.213581  0.150394  0.00725447  0.0676258   -0.00658542 98  LYS   B H    
3196 H HA   . LYS   B 86  ? 0.158509  0.230876  0.162147  0.0110368   0.0785466   0.00023364  98  LYS   B HA   
3197 H HB2  . LYS   B 86  ? 0.200652  0.27452   0.174082  0.01299     0.08503     0.0240141   98  LYS   B HB2  
3198 H HB3  . LYS   B 86  ? 0.205277  0.27492   0.174173  0.0120955   0.0843925   0.024073    98  LYS   B HB3  
3199 H HG2  . LYS   B 86  ? 0.248552  0.337062  0.199033  0.0138722   0.0909724   0.0454057   98  LYS   B HG2  
3200 H HG3  . LYS   B 86  ? 0.246965  0.335276  0.199314  0.0125953   0.0907662   0.0449698   98  LYS   B HG3  
3201 H HD2  . LYS   B 86  ? 0.282289  0.373001  0.239865  0.00211281  0.0867213   0.0573044   98  LYS   B HD2  
3202 H HD3  . LYS   B 86  ? 0.291986  0.37785   0.239905  0.00327518  0.0868392   0.0586307   98  LYS   B HD3  
3203 H HE2  . LYS   B 86  ? 0.295111  0.42287   0.323101  0.00853368  0.0888602   0.087705    98  LYS   B HE2  
3204 H HE3  . LYS   B 86  ? 0.294378  0.421574  0.307315  0.00869107  0.0941975   0.0851786   98  LYS   B HE3  
3205 H HZ1  . LYS   B 86  ? 0.294136  0.462129  0.334001  0.00180248  0.124841    0.117635    98  LYS   B HZ1  
3206 H HZ2  . LYS   B 86  ? 0.292646  0.458861  0.329566  0.00106852  0.124952    0.115927    98  LYS   B HZ2  
3207 H HZ3  . LYS   B 86  ? 0.293712  0.463378  0.336158  0.00014605  0.125385    0.116102    98  LYS   B HZ3  
3208 N N    A LYS   B 87  ? 0.134468  0.258415  0.196238  0.0287485   0.0914086   -0.015347   99  LYS   B N    
3209 N N    B LYS   B 87  ? 0.134792  0.261241  0.194725  0.0240863   0.0901156   -0.0149843  99  LYS   B N    
3210 C CA   A LYS   B 87  ? 0.127064  0.2724    0.194323  0.0235108   0.105437    -0.0195097  99  LYS   B CA   
3211 C CA   B LYS   B 87  ? 0.1283    0.276603  0.19107   0.0150308   0.100717    -0.0185786  99  LYS   B CA   
3212 C C    A LYS   B 87  ? 0.146907  0.260648  0.188471  0.0150351   0.105224    -0.0167848  99  LYS   B C    
3213 C C    B LYS   B 87  ? 0.146943  0.263228  0.186852  0.0112137   0.103745    -0.0163988  99  LYS   B C    
3214 O O    A LYS   B 87  ? 0.253514  0.284183  0.179098  0.0151726   0.0858368   -0.0260587  99  LYS   B O    
3215 O O    B LYS   B 87  ? 0.250973  0.286846  0.177266  0.0138303   0.0864404   -0.0257783  99  LYS   B O    
3216 C CB   A LYS   B 87  ? 0.133327  0.301286  0.214977  0.0222131   0.0948911   -0.024274   99  LYS   B CB   
3217 C CB   B LYS   B 87  ? 0.136873  0.309165  0.211069  0.00450167  0.0842628   -0.0195316  99  LYS   B CB   
3218 C CG   A LYS   B 87  ? 0.145092  0.334376  0.24468   0.0263588   0.0970582   -0.00669618 99  LYS   B CG   
3219 C CG   B LYS   B 87  ? 0.157434  0.350608  0.226968  -0.00830723 0.0752194   -0.0130345  99  LYS   B CG   
3220 C CD   A LYS   B 87  ? 0.172871  0.390731  0.28585   0.0140934   0.0996423   0.00610702  99  LYS   B CD   
3221 C CD   B LYS   B 87  ? 0.144248  0.358527  0.246857  -0.00540196 0.0829268   -0.0115873  99  LYS   B CD   
3222 C CE   A LYS   B 87  ? 0.157786  0.431659  0.306089  0.0415694   0.107991    0.00998981  99  LYS   B CE   
3223 C CE   B LYS   B 87  ? 0.136645  0.376403  0.266574  -0.0129756  0.0857901   -0.00972975 99  LYS   B CE   
3224 N NZ   A LYS   B 87  ? 0.207751  0.480607  0.357328  0.0137392   0.0986516   0.0109858   99  LYS   B NZ   
3225 N NZ   B LYS   B 87  ? 0.118353  0.371212  0.261331  -0.0289718  0.10397     -0.00847977 99  LYS   B NZ   
3226 H H    A LYS   B 87  ? 0.14095   0.25298   0.190717  0.0230017   0.0836051   -0.0122707  99  LYS   B H    
3227 H H    B LYS   B 87  ? 0.141264  0.255198  0.189541  0.0192087   0.0820409   -0.0119094  99  LYS   B H    
3228 H HA   A LYS   B 87  ? 0.141384  0.264183  0.192854  0.0206042   0.0922888   -0.0138288  99  LYS   B HA   
3229 H HA   B LYS   B 87  ? 0.142316  0.268236  0.190575  0.0132149   0.0884074   -0.012646   99  LYS   B HA   
3230 H HB2  A LYS   B 87  ? 0.146975  0.288081  0.216396  0.0221671   0.0883049   -0.0160513  99  LYS   B HB2  
3231 H HB2  B LYS   B 87  ? 0.150704  0.300392  0.213932  0.00620468  0.0777993   -0.0134285  99  LYS   B HB2  
3232 H HB3  A LYS   B 87  ? 0.146671  0.291019  0.216666  0.0223579   0.088483    -0.0145654  99  LYS   B HB3  
3233 H HB3  B LYS   B 87  ? 0.150494  0.299777  0.212999  0.00616546  0.0782144   -0.0130248  99  LYS   B HB3  
3234 H HG2  A LYS   B 87  ? 0.162085  0.323262  0.2445    0.0225825   0.0884066   -0.00515512 99  LYS   B HG2  
3235 H HG2  B LYS   B 87  ? 0.164749  0.332401  0.233532  -0.00157764 0.0717938   -0.0095223  99  LYS   B HG2  
3236 H HG3  A LYS   B 87  ? 0.161521  0.324317  0.243478  0.0222003   0.0887856   -0.00418916 99  LYS   B HG3  
3237 H HG3  B LYS   B 87  ? 0.165737  0.334779  0.232758  -0.00336058 0.0720439   -0.00959903 99  LYS   B HG3  
3238 H HD2  A LYS   B 87  ? 0.183407  0.373351  0.282659  0.0233494   0.0925748   0.00720242  99  LYS   B HD2  
3239 H HD2  B LYS   B 87  ? 0.161994  0.348908  0.247322  -0.00364852 0.0772583   -0.00663754 99  LYS   B HD2  
3240 H HD3  A LYS   B 87  ? 0.183863  0.373791  0.283082  0.02338     0.0926349   0.00682206  99  LYS   B HD3  
3241 H HD3  B LYS   B 87  ? 0.163218  0.348374  0.250712  -0.00334706 0.0748981   -0.0060851  99  LYS   B HD3  
3242 H HE2  A LYS   B 87  ? 0.195196  0.412918  0.310267  0.028676    0.0971146   0.0104859   99  LYS   B HE2  
3243 H HE2  B LYS   B 87  ? 0.154947  0.359229  0.265578  -0.00980394 0.0828487   -0.00444818 99  LYS   B HE2  
3244 H HE3  A LYS   B 87  ? 0.193609  0.415295  0.307025  0.0277746   0.0990677   0.0135734   99  LYS   B HE3  
3245 H HE3  B LYS   B 87  ? 0.155771  0.360187  0.267289  -0.0100363  0.0824458   -0.00487281 99  LYS   B HE3  
3246 H HZ1  A LYS   B 87  ? 0.220654  0.454828  0.351132  0.0233817   0.0924241   0.0123299   99  LYS   B HZ1  
3247 H HZ1  B LYS   B 87  ? 0.145859  0.358293  0.266209  -0.0170759  0.0919923   -0.00330662 99  LYS   B HZ1  
3248 H HZ2  A LYS   B 87  ? 0.21949   0.455221  0.347411  0.0228099   0.0947774   0.0139577   99  LYS   B HZ2  
3249 H HZ2  B LYS   B 87  ? 0.141297  0.358215  0.258784  -0.0165605  0.0976633   -0.00395236 99  LYS   B HZ2  
3250 H HZ3  A LYS   B 87  ? 0.221227  0.458782  0.348568  0.0200714   0.0964358   0.0108046   99  LYS   B HZ3  
3251 H HZ3  B LYS   B 87  ? 0.146168  0.353971  0.265337  -0.0173924  0.0918381   -0.00510664 99  LYS   B HZ3  
3252 N N    . GLY   B 88  ? 0.127359  0.259363  0.178019  0.0107168   0.105137    -0.0213328  100 GLY   B N    
3253 C CA   . GLY   B 88  ? 0.155304  0.245547  0.186123  0.0182749   0.0898893   -0.0158654  100 GLY   B CA   
3254 C C    . GLY   B 88  ? 0.165771  0.226808  0.157296  0.0177273   0.0905917   -0.0296182  100 GLY   B C    
3255 O O    . GLY   B 88  ? 0.145256  0.238565  0.19089   0.0290799   0.0879651   -0.0238776  100 GLY   B O    
3256 H H    A GLY   B 88  ? 0.14429   0.249959  0.179091  0.0124996   0.0915735   -0.0156491  100 GLY   B H    
3257 H H    B GLY   B 88  ? 0.144295  0.25049   0.179001  0.0117021   0.0911835   -0.0155519  100 GLY   B H    
3258 H HA2  . GLY   B 88  ? 0.15775   0.239147  0.180269  0.0146525   0.0825968   -0.0162457  100 GLY   B HA2  
3259 H HA3  . GLY   B 88  ? 0.157945  0.239926  0.180627  0.0145438   0.0817674   -0.0167604  100 GLY   B HA3  
3260 N N    . GLU   B 89  ? 0.175907  0.229721  0.142872  0.0134017   0.0643937   -0.0302479  101 GLU   B N    
3261 C CA   . GLU   B 89  ? 0.179245  0.227547  0.131656  0.00837901  0.0665586   -0.0227595  101 GLU   B CA   
3262 C C    . GLU   B 89  ? 0.20043   0.204461  0.151441  -0.0001727  0.0556625   -0.0243496  101 GLU   B C    
3263 O O    . GLU   B 89  ? 0.157357  0.200894  0.134794  -0.0109434  0.0777508   -0.0457547  101 GLU   B O    
3264 C CB   . GLU   B 89  ? 0.197105  0.208325  0.121025  0.00916447  0.0604225   -0.0253753  101 GLU   B CB   
3265 C CG   . GLU   B 89  ? 0.201896  0.213878  0.125548  8.39e-06    0.054048    -0.0122786  101 GLU   B CG   
3266 C CD   . GLU   B 89  ? 0.196036  0.231788  0.162277  0.010801    0.0238931   -0.0208915  101 GLU   B CD   
3267 O OE1  . GLU   B 89  ? 0.159178  0.24121   0.205215  -0.00525347 0.0389935   -0.0147903  101 GLU   B OE1  
3268 O OE2  . GLU   B 89  ? 0.177187  0.225892  0.20067   0.0259014   0.0109302   -0.029324   101 GLU   B OE2  
3269 H H    . GLU   B 89  ? 0.174655  0.22275   0.149175  0.0113112   0.0637219   -0.0243581  101 GLU   B H    
3270 H HA   . GLU   B 89  ? 0.184622  0.21616   0.140195  0.00717744  0.0567126   -0.0217539  101 GLU   B HA   
3271 H HB2  . GLU   B 89  ? 0.192086  0.210696  0.130819  0.00668091  0.0539475   -0.0186429  101 GLU   B HB2  
3272 H HB3  . GLU   B 89  ? 0.191898  0.20947   0.126226  0.00660077  0.0544656   -0.0204537  101 GLU   B HB3  
3273 H HG2  . GLU   B 89  ? 0.194118  0.211438  0.136416  0.00187094  0.0469502   -0.0122682  101 GLU   B HG2  
3274 H HG3  . GLU   B 89  ? 0.196608  0.212661  0.136225  0.00360594  0.0450269   -0.0150402  101 GLU   B HG3  
3275 N N    . ILE   B 90  ? 0.171406  0.204293  0.140547  0.00277869  0.0651066   -0.0236995  102 ILE   B N    
3276 C CA   . ILE   B 90  ? 0.20396   0.191775  0.155084  -0.0118152  0.0501974   -0.011384   102 ILE   B CA   
3277 C C    . ILE   B 90  ? 0.208679  0.187349  0.139276  -0.00149353 0.0433676   -0.0212322  102 ILE   B C    
3278 O O    . ILE   B 90  ? 0.240436  0.222029  0.146188  -0.0176065  0.0408232   0.00318446  102 ILE   B O    
3279 C CB   . ILE   B 90  ? 0.227128  0.188975  0.150518  0.0018895   0.0594829   0.00048372  102 ILE   B CB   
3280 C CG1  . ILE   B 90  ? 0.277416  0.190153  0.177031  0.0280131   0.045368    -0.00591227 102 ILE   B CG1  
3281 C CG2  . ILE   B 90  ? 0.238439  0.19208   0.13266   -0.0279985  0.0746592   -0.0109881  102 ILE   B CG2  
3282 C CD1  . ILE   B 90  ? 0.319741  0.186292  0.196113  0.0472186   0.043564    -0.00789135 102 ILE   B CD1  
3283 H H    . ILE   B 90  ? 0.182947  0.199152  0.144252  -0.00049763 0.0537461   -0.0186281  102 ILE   B H    
3284 H HA   . ILE   B 90  ? 0.198404  0.193605  0.155065  -0.00355572 0.048214    -0.0105694  102 ILE   B HA   
3285 H HB   . ILE   B 90  ? 0.226491  0.192168  0.15656   -0.00125969 0.0526028   -0.00319263 102 ILE   B HB   
3286 H HG12 . ILE   B 90  ? 0.26296   0.196129  0.179482  0.0228762   0.0451577   -0.00264127 102 ILE   B HG12 
3287 H HG13 . ILE   B 90  ? 0.265503  0.196734  0.180152  0.0242535   0.0435839   -0.00333828 102 ILE   B HG13 
3288 H HG21 . ILE   B 90  ? 0.231383  0.192689  0.145201  -0.015496   0.0622535   -0.00554041 102 ILE   B HG21 
3289 H HG22 . ILE   B 90  ? 0.230053  0.192428  0.139911  -0.0159959  0.0624896   -0.00670786 102 ILE   B HG22 
3290 H HG23 . ILE   B 90  ? 0.231186  0.192917  0.144239  -0.0163162  0.0631727   -0.0057523  102 ILE   B HG23 
3291 H HD11 . ILE   B 90  ? 0.297761  0.198505  0.198164  0.0375649   0.0417239   -0.00408777 102 ILE   B HD11 
3292 H HD12 . ILE   B 90  ? 0.299011  0.198616  0.197833  0.0370963   0.0421058   -0.00429646 102 ILE   B HD12 
3293 H HD13 . ILE   B 90  ? 0.299477  0.199691  0.198497  0.0383677   0.0399563   -0.00542554 102 ILE   B HD13 
3294 N N    . ALA   B 91  ? 0.188305  0.205644  0.128329  -0.00293118 0.0430644   -0.00464874 103 ALA   B N    
3295 C CA   . ALA   B 91  ? 0.198918  0.194115  0.124987  0.00487918  0.0256135   0.0121793   103 ALA   B CA   
3296 C C    . ALA   B 91  ? 0.172304  0.176896  0.145689  -0.0120436  0.0139324   0.00505644  103 ALA   B C    
3297 O O    . ALA   B 91  ? 0.128597  0.231409  0.143249  -0.0292714  0.0235969   0.00295807  103 ALA   B O    
3298 C CB   . ALA   B 91  ? 0.172965  0.196673  0.153196  -0.0189487  0.011742    0.0169044   103 ALA   B CB   
3299 H H    . ALA   B 91  ? 0.192773  0.197302  0.13544   -0.00022523 0.0355918   -0.00323288 103 ALA   B H    
3300 H HA   . ALA   B 91  ? 0.184484  0.191894  0.136006  -0.00334306 0.0216614   0.00691464  103 ALA   B HA   
3301 H HB1  . ALA   B 91  ? 0.177684  0.193931  0.148922  -0.0107563  0.0155272   0.0143288   103 ALA   B HB1  
3302 H HB2  . ALA   B 91  ? 0.178652  0.194313  0.151396  -0.0101865  0.0152398   0.0142461   103 ALA   B HB2  
3303 H HB3  . ALA   B 91  ? 0.17794   0.194114  0.149384  -0.00994017 0.0147108   0.0140123   103 ALA   B HB3  
3304 N N    . HIS   B 92  ? 0.183191  0.186555  0.143593  -0.00972104 0.0231348   0.00471915  104 HIS   B N    
3305 C CA   . HIS   B 92  ? 0.20298   0.191946  0.169462  -0.00497065 0.0189189   0.0007489   104 HIS   B CA   
3306 C C    . HIS   B 92  ? 0.208213  0.18675   0.140961  -5.064e-05  0.0116172   -0.014176   104 HIS   B C    
3307 O O    . HIS   B 92  ? 0.224849  0.207307  0.153119  0.00996851  0.00627693  -0.00913256 104 HIS   B O    
3308 C CB   . HIS   B 92  ? 0.167292  0.166438  0.168466  0.00051829  0.020231    -0.0154829  104 HIS   B CB   
3309 C CG   . HIS   B 92  ? 0.163365  0.157114  0.176258  -0.00795414 0.0227385   -0.0126665  104 HIS   B CG   
3310 N ND1  . HIS   B 92  ? 0.133318  0.1694    0.183673  0.00066158  0.0239199   -0.0184697  104 HIS   B ND1  
3311 C CD2  . HIS   B 92  ? 0.180196  0.167687  0.15509   -0.00289381 0.0240436   -0.0161     104 HIS   B CD2  
3312 C CE1  . HIS   B 92  ? 0.166462  0.182044  0.197767  -0.00447361 0.00930993  -0.0044184  104 HIS   B CE1  
3313 N NE2  . HIS   B 92  ? 0.153272  0.169561  0.179007  -0.0006013  0.00852767  -0.019019   104 HIS   B NE2  
3314 H H    . HIS   B 92  ? 0.182006  0.184071  0.148689  -0.00771922 0.0181999   0.0043746   104 HIS   B H    
3315 H HA   . HIS   B 92  ? 0.191065  0.187132  0.164301  -0.00404098 0.0179637   -0.00452613 104 HIS   B HA   
3316 H HB2  . HIS   B 92  ? 0.17146   0.169596  0.169686  -0.00230435 0.0188065   -0.00992208 104 HIS   B HB2  
3317 H HB3  . HIS   B 92  ? 0.169549  0.16956   0.169143  -0.00221865 0.0195358   -0.00995824 104 HIS   B HB3  
3318 H HD1  . HIS   B 92  ? 0.163     0.163     0.163     0           0           0           104 HIS   B HD1  
3319 H HD2  . HIS   B 92  ? 0.168804  0.168552  0.166935  -0.00289615 0.0198705   -0.0127006  104 HIS   B HD2  
3320 H HE1  . HIS   B 92  ? 0.158827  0.181414  0.188675  -0.00054864 0.0136518   -0.00768837 104 HIS   B HE1  
3321 H HE2  . HIS   B 92  ? 0.172499  0.172499  0.172499  0           0           0           104 HIS   B HE2  
3322 N N    . LEU   B 93  ? 0.220197  0.212948  0.115143  -0.0176382  -0.00171435 0.0085555   105 LEU   B N    
3323 C CA   . LEU   B 93  ? 0.196243  0.20452   0.142413  -0.0168192  0.00103411  0.0173968   105 LEU   B CA   
3324 C C    . LEU   B 93  ? 0.192422  0.20982   0.14768   -0.00556408 0.00892385  0.0219048   105 LEU   B C    
3325 O O    . LEU   B 93  ? 0.197343  0.183619  0.170164  0.0160876   0.053626    0.0336392   105 LEU   B O    
3326 C CB   . LEU   B 93  ? 0.199086  0.19154   0.178942  -0.0103195  -0.00965412 0.00698983  105 LEU   B CB   
3327 C CG   . LEU   B 93  ? 0.202074  0.217449  0.191793  -0.0155782  -0.0268182  0.00057344  105 LEU   B CG   
3328 C CD1  . LEU   B 93  ? 0.209618  0.230249  0.20596   -0.0308871  -0.0242998  0.00373811  105 LEU   B CD1  
3329 C CD2  . LEU   B 93  ? 0.22545   0.225264  0.16471   -0.0155094  -0.0193233  -0.00731491 105 LEU   B CD2  
3330 H H    . LEU   B 93  ? 0.20807   0.2019    0.134728  -0.0103064  0.00352781  0.00653126  105 LEU   B H    
3331 H HA   . LEU   B 93  ? 0.196951  0.202492  0.148264  -0.0110122  0.00175605  0.0140935   105 LEU   B HA   
3332 H HB2  . LEU   B 93  ? 0.196793  0.199898  0.175698  -0.0110666  -0.0076405  0.00663525  105 LEU   B HB2  
3333 H HB3  . LEU   B 93  ? 0.195637  0.198168  0.175028  -0.00979317 -0.00746292 0.00636825  105 LEU   B HB3  
3334 H HG   . LEU   B 93  ? 0.205537  0.214914  0.188917  -0.0147298  -0.0175872  0.00058067  105 LEU   B HG   
3335 H HD11 . LEU   B 93  ? 0.207553  0.226935  0.204851  -0.0232964  -0.0208019  0.00128644  105 LEU   B HD11 
3336 H HD12 . LEU   B 93  ? 0.206992  0.22622   0.203891  -0.0234645  -0.020767   0.00208591  105 LEU   B HD12 
3337 H HD13 . LEU   B 93  ? 0.208624  0.227581  0.204024  -0.0243296  -0.0212376  0.00239938  105 LEU   B HD13 
3338 H HD21 . LEU   B 93  ? 0.216196  0.220478  0.17477   -0.0140293  -0.0179688  -0.00562091 105 LEU   B HD21 
3339 H HD22 . LEU   B 93  ? 0.217114  0.222085  0.177086  -0.0140608  -0.0175996  -0.00431201 105 LEU   B HD22 
3340 H HD23 . LEU   B 93  ? 0.21816   0.221918  0.177085  -0.0128454  -0.0177376  -0.004554   105 LEU   B HD23 
3341 N N    . LEU   B 94  ? 0.159693  0.209965  0.136085  -0.00105945 0.0310974   0.0327129   106 LEU   B N    
3342 C CA   . LEU   B 94  ? 0.13636   0.213534  0.1669    -0.0171405  0.018044    0.0374113   106 LEU   B CA   
3343 C C    . LEU   B 94  ? 0.124393  0.228769  0.17823   -0.0245163  0.0156427   0.0301574   106 LEU   B C    
3344 O O    . LEU   B 94  ? 0.160861  0.251915  0.16023   -0.00089486 0.0352983   0.0251591   106 LEU   B O    
3345 C CB   . LEU   B 94  ? 0.155903  0.226003  0.181395  -0.0143207  0.0119298   0.0335163   106 LEU   B CB   
3346 C CG   . LEU   B 94  ? 0.162012  0.26709   0.196779  -0.00590797 0.0235969   0.0396855   106 LEU   B CG   
3347 C CD1  . LEU   B 94  ? 0.162783  0.275622  0.185867  -0.00497762 0.0548288   0.0448065   106 LEU   B CD1  
3348 C CD2  . LEU   B 94  ? 0.171041  0.27794   0.237122  -0.0256412  0.00561842  0.0384959   106 LEU   B CD2  
3349 H H    . LEU   B 94  ? 0.162573  0.204327  0.145047  -0.00516071 0.0214677   0.0302174   106 LEU   B H    
3350 H HA   . LEU   B 94  ? 0.145718  0.212278  0.165724  -0.0122592  0.0186004   0.031604    106 LEU   B HA   
3351 H HB2  . LEU   B 94  ? 0.156127  0.224798  0.181648  -0.0108433  0.0153813   0.0309992   106 LEU   B HB2  
3352 H HB3  . LEU   B 94  ? 0.156268  0.225519  0.181912  -0.0111699  0.0152284   0.0311979   106 LEU   B HB3  
3353 H HG   . LEU   B 94  ? 0.168512  0.255163  0.200133  -0.00880332 0.0224801   0.0345667   106 LEU   B HG   
3354 H HD11 . LEU   B 94  ? 0.168262  0.264516  0.19347   -0.00398211 0.0419428   0.0386458   106 LEU   B HD11 
3355 H HD12 . LEU   B 94  ? 0.164702  0.264966  0.19251   -0.00484424 0.042812    0.0387652   106 LEU   B HD12 
3356 H HD13 . LEU   B 94  ? 0.168141  0.264486  0.192599  -0.00358637 0.0418701   0.0380475   106 LEU   B HD13 
3357 H HD21 . LEU   B 94  ? 0.177169  0.272646  0.226761  -0.016439   0.011482    0.0334749   106 LEU   B HD21 
3358 H HD22 . LEU   B 94  ? 0.177492  0.272567  0.226946  -0.0170923  0.0108708   0.0357833   106 LEU   B HD22 
3359 H HD23 . LEU   B 94  ? 0.177794  0.271071  0.226086  -0.0162661  0.0112855   0.0346026   106 LEU   B HD23 
3360 N N    . ILE   B 95  ? 0.105462  0.231853  0.188778  -0.0278037  0.0331355   0.0219229   107 ILE   B N    
3361 C CA   . ILE   B 95  ? 0.120586  0.232099  0.191161  -0.0347407  0.0281921   0.0261323   107 ILE   B CA   
3362 C C    . ILE   B 95  ? 0.121061  0.243125  0.232537  -0.0282024  0.0132967   0.0281887   107 ILE   B C    
3363 O O    . ILE   B 95  ? 0.150805  0.255738  0.201031  -0.00900967 -0.00142298 0.052906    107 ILE   B O    
3364 C CB   . ILE   B 95  ? 0.0910631 0.231097  0.176599  -0.0367835  0.0477682   0.0158754   107 ILE   B CB   
3365 C CG1  . ILE   B 95  ? 0.0867808 0.22672   0.167324  -0.0308464  0.0505353   0.0159483   107 ILE   B CG1  
3366 C CG2  . ILE   B 95  ? 0.10603   0.245639  0.161046  -0.0379565  0.0326212   0.00451013  107 ILE   B CG2  
3367 C CD1  . ILE   B 95  ? 0.102423  0.2392    0.161214  -0.029633   0.0588384   0.0244491   107 ILE   B CD1  
3368 H H    . ILE   B 95  ? 0.122764  0.225404  0.186359  -0.0233181  0.0263479   0.0232982   107 ILE   B H    
3369 H HA   . ILE   B 95  ? 0.122191  0.227876  0.193292  -0.0267795  0.0286853   0.0231862   107 ILE   B HA   
3370 H HB   . ILE   B 95  ? 0.107989  0.226158  0.174348  -0.0291741  0.039333    0.0159943   107 ILE   B HB   
3371 H HG12 . ILE   B 95  ? 0.10153   0.221906  0.168303  -0.0261871  0.0474568   0.0171364   107 ILE   B HG12 
3372 H HG13 . ILE   B 95  ? 0.101862  0.221858  0.166479  -0.0260892  0.0470264   0.0155754   107 ILE   B HG13 
3373 H HG21 . ILE   B 95  ? 0.110238  0.234913  0.166126  -0.0303324  0.0329959   0.00878401  107 ILE   B HG21 
3374 H HG22 . ILE   B 95  ? 0.111875  0.235919  0.167972  -0.0302125  0.0347281   0.00788058  107 ILE   B HG22 
3375 H HG23 . ILE   B 95  ? 0.112055  0.235224  0.167964  -0.0303557  0.0345044   0.00864782  107 ILE   B HG23 
3376 H HD11 . ILE   B 95  ? 0.107414  0.22861   0.164867  -0.024011   0.0515986   0.0204651   107 ILE   B HD11 
3377 H HD12 . ILE   B 95  ? 0.104618  0.228676  0.1642    -0.0240931  0.0529808   0.0205123   107 ILE   B HD12 
3378 H HD13 . ILE   B 95  ? 0.107473  0.228323  0.16464   -0.0240583  0.051393    0.0197746   107 ILE   B HD13 
3379 N N    . LYS   B 96  ? 0.152648  0.265774  0.237819  -0.00328707 -0.00096162 0.011558    108 LYS   B N    
3380 C CA   . LYS   B 96  ? 0.152593  0.280238  0.261877  -0.0157632  -0.00854103 0.00606248  108 LYS   B CA   
3381 C C    . LYS   B 96  ? 0.138871  0.284203  0.226119  -0.00596479 0.0111052   0.0147189   108 LYS   B C    
3382 O O    . LYS   B 96  ? 0.0920151 0.281165  0.207106  -0.00132989 0.0378727   0.0126459   108 LYS   B O    
3383 C CB   . LYS   B 96  ? 0.188459  0.344826  0.297029  0.00634348  -0.0417693  0.0307051   108 LYS   B CB   
3384 C CG   . LYS   B 96  ? 0.243538  0.388467  0.32526   0.00482521  -0.0700376  0.0125251   108 LYS   B CG   
3385 C CD   . LYS   B 96  ? 0.242987  0.474449  0.436651  0.00132844  -0.1111     0.0244108   108 LYS   B CD   
3386 C CE   . LYS   B 96  ? 0.274727  0.563627  0.481268  0.00613883  -0.188557   0.0341973   108 LYS   B CE   
3387 N NZ   . LYS   B 96  ? 0.411645  0.592191  0.603909  0.0551234   -0.171213   0.0266802   108 LYS   B NZ   
3388 H H    . LYS   B 96  ? 0.154868  0.262026  0.240832  -0.00888855 0.00221042  0.0123189   108 LYS   B H    
3389 H HA   . LYS   B 96  ? 0.163358  0.276584  0.251748  -0.00892514 -0.00414779 0.0127811   108 LYS   B HA   
3390 H HB2  . LYS   B 96  ? 0.201421  0.33078   0.290862  0.003111    -0.0317027  0.0182625   108 LYS   B HB2  
3391 H HB3  . LYS   B 96  ? 0.201711  0.328996  0.291423  0.00047555  -0.0318546  0.0192779   108 LYS   B HB3  
3392 H HG2  . LYS   B 96  ? 0.241499  0.38467   0.336547  0.0055742   -0.0592397  0.0176982   108 LYS   B HG2  
3393 H HG3  . LYS   B 96  ? 0.242114  0.383453  0.336149  0.00517151  -0.0592894  0.0183365   108 LYS   B HG3  
3394 H HD2  . LYS   B 96  ? 0.26858   0.455629  0.409825  0.00525293  -0.0957762  0.0226457   108 LYS   B HD2  
3395 H HD3  . LYS   B 96  ? 0.270058  0.458774  0.412545  0.00542828  -0.0968273  0.0224145   108 LYS   B HD3  
3396 H HE2  . LYS   B 96  ? 0.312151  0.536356  0.486566  0.0157774   -0.139768   0.0290936   108 LYS   B HE2  
3397 H HE3  . LYS   B 96  ? 0.313245  0.534482  0.487551  0.0155711   -0.140578   0.0288713   108 LYS   B HE3  
3398 H HZ1  . LYS   B 96  ? 0.39321   0.578975  0.567247  0.0374133   -0.157658   0.02648     108 LYS   B HZ1  
3399 H HZ2  . LYS   B 96  ? 0.385472  0.58393   0.561145  0.036501    -0.150517   0.0284061   108 LYS   B HZ2  
3400 H HZ3  . LYS   B 96  ? 0.387099  0.581061  0.575599  0.0371132   -0.145998   0.032774    108 LYS   B HZ3  
3401 N N    . PRO   B 97  ? 0.101876  0.296013  0.242015  -0.00923838 0.0176268   0.0110792   109 PRO   B N    
3402 C CA   . PRO   B 97  ? 0.128833  0.313236  0.221517  0.011222    0.0533548   0.00944127  109 PRO   B CA   
3403 C C    . PRO   B 97  ? 0.0927271 0.329899  0.1911    0.0257554   0.0685344   0.00560161  109 PRO   B C    
3404 O O    . PRO   B 97  ? 0.0579696 0.392515  0.199576  0.0174924   0.0894797   -0.00785352 109 PRO   B O    
3405 C CB   . PRO   B 97  ? 0.149458  0.331525  0.23584   -0.00187892 0.0653435   0.0147005   109 PRO   B CB   
3406 C CG   . PRO   B 97  ? 0.183629  0.35066   0.243406  -0.0166715  0.0620064   0.0186614   109 PRO   B CG   
3407 C CD   . PRO   B 97  ? 0.11508   0.320335  0.226612  -0.0222123  0.0374067   0.0134473   109 PRO   B CD   
3408 H HA   . PRO   B 97  ? 0.134598  0.307416  0.224767  0.00923898  0.0490539   0.0114113   109 PRO   B HA   
3409 H HB2  . PRO   B 97  ? 0.163714  0.321266  0.235865  0.00083654  0.0576521   0.0141672   109 PRO   B HB2  
3410 H HB3  . PRO   B 97  ? 0.164088  0.322133  0.236548  0.00042436  0.0575852   0.0141252   109 PRO   B HB3  
3411 H HG2  . PRO   B 97  ? 0.181908  0.334594  0.242128  -0.015923   0.0535817   0.0161577   109 PRO   B HG2  
3412 H HG3  . PRO   B 97  ? 0.173568  0.334497  0.242537  -0.0113827  0.0531789   0.0158694   109 PRO   B HG3  
3413 H HD2  . PRO   B 97  ? 0.138987  0.308664  0.234155  -0.0122659  0.0365053   0.0151768   109 PRO   B HD2  
3414 H HD3  . PRO   B 97  ? 0.139285  0.305671  0.233837  -0.0124094  0.0367797   0.013754    109 PRO   B HD3  
3415 N N    . GLU   B 98  ? 0.111202  0.330198  0.226428  0.0171237   0.0480657   0.00727326  110 GLU   B N    
3416 C CA   . GLU   B 98  ? 0.129279  0.3308    0.262252  0.0270022   0.0273168   0.00321897  110 GLU   B CA   
3417 C C    . GLU   B 98  ? 0.128571  0.292297  0.232237  0.022781    0.0347798   -0.00328152 110 GLU   B C    
3418 O O    . GLU   B 98  ? 0.162002  0.304715  0.272479  0.0331019   0.017297    -0.00148751 110 GLU   B O    
3419 C CB   . GLU   B 98  ? 0.13881   0.357855  0.298323  0.0369551   0.00547785  0.0130958   110 GLU   B CB   
3420 C CG   . GLU   B 98  ? 0.161268  0.401993  0.368553  0.0329829   -0.0155079  0.0116572   110 GLU   B CG   
3421 C CD   . GLU   B 98  ? 0.250629  0.39615   0.429626  0.00595368  -0.0198547  0.00866272  110 GLU   B CD   
3422 O OE1  . GLU   B 98  ? 0.173099  0.339906  0.392035  0.00058358  -0.0348058  -0.00735095 110 GLU   B OE1  
3423 O OE2  . GLU   B 98  ? 0.285773  0.480791  0.551787  -0.0241145  -0.0534644  0.0522933   110 GLU   B OE2  
3424 H H    . GLU   B 98  ? 0.127384  0.319754  0.22561   0.0209823   0.0441524   0.00807159  110 GLU   B H    
3425 H HA   . GLU   B 98  ? 0.144109  0.31984   0.257015  0.0252017   0.0291746   0.0073681   110 GLU   B HA   
3426 H HB2  . GLU   B 98  ? 0.159689  0.349607  0.297785  0.0329422   0.0112937   0.011401    110 GLU   B HB2  
3427 H HB3  . GLU   B 98  ? 0.159687  0.346548  0.298766  0.0318185   0.0108225   0.0114519   110 GLU   B HB3  
3428 H HG2  . GLU   B 98  ? 0.193149  0.384065  0.358089  0.0275743   -0.0045475  0.012038    110 GLU   B HG2  
3429 H HG3  . GLU   B 98  ? 0.192947  0.382687  0.359161  0.02807     -0.00540313 0.013213    110 GLU   B HG3  
3430 N N    . TYR   B 99  ? 0.134232  0.268933  0.223133  0.0153855   0.0379913   -0.00430615 111 TYR   B N    
3431 C CA   . TYR   B 99  ? 0.11786   0.236657  0.178319  0.0196724   0.0776273   -0.00804302 111 TYR   B CA   
3432 C C    . TYR   B 99  ? 0.0844302 0.269418  0.211649  0.0368756   0.0844159   -0.00363252 111 TYR   B C    
3433 O O    . TYR   B 99  ? 0.0945737 0.282719  0.174198  0.0366985   0.117096    -0.00838631 111 TYR   B O    
3434 C CB   . TYR   B 99  ? 0.109296  0.224854  0.153539  0.0162734   0.0670419   -0.0172695  111 TYR   B CB   
3435 C CG   . TYR   B 99  ? 0.128532  0.238633  0.160844  0.00101892  0.0671929   -0.0155389  111 TYR   B CG   
3436 C CD1  . TYR   B 99  ? 0.112489  0.245764  0.180513  -0.00554008 0.0659144   0.00268938  111 TYR   B CD1  
3437 C CD2  . TYR   B 99  ? 0.13992   0.255648  0.177324  -0.00502634 0.0590129   -0.00743108 111 TYR   B CD2  
3438 C CE1  . TYR   B 99  ? 0.133757  0.244853  0.183861  -0.0250785  0.0683372   0.023558    111 TYR   B CE1  
3439 C CE2  . TYR   B 99  ? 0.175433  0.25285   0.246757  -0.00078031 0.039076    -0.00416749 111 TYR   B CE2  
3440 C CZ   . TYR   B 99  ? 0.174886  0.244293  0.250842  -0.015745   0.0260526   0.00987241  111 TYR   B CZ   
3441 O OH   . TYR   B 99  ? 0.210779  0.25165   0.320739  -0.00155893 -0.011154   0.0340821   111 TYR   B OH   
3442 H H    . TYR   B 99  ? 0.13912   0.259307  0.213293  0.0164406   0.0433188   -0.00397586 111 TYR   B H    
3443 H HA   . TYR   B 99  ? 0.12223   0.234766  0.185257  0.0191546   0.062747    -0.00791284 111 TYR   B HA   
3444 H HB2  . TYR   B 99  ? 0.119909  0.220192  0.1606    0.011652    0.0621244   -0.0134688  111 TYR   B HB2  
3445 H HB3  . TYR   B 99  ? 0.115438  0.222986  0.161236  0.0132061   0.0629565   -0.0124225  111 TYR   B HB3  
3446 H HD1  . TYR   B 99  ? 0.129174  0.237046  0.178637  -0.00646421 0.060336    0.00370776  111 TYR   B HD1  
3447 H HD2  . TYR   B 99  ? 0.147741  0.244191  0.18743   -0.00152778 0.0502814   -0.00672686 111 TYR   B HD2  
3448 H HE1  . TYR   B 99  ? 0.144074  0.239239  0.196286  -0.0146571  0.0533483   0.014332    111 TYR   B HE1  
3449 H HE2  . TYR   B 99  ? 0.173719  0.252288  0.227661  -0.00199832 0.0377096   -0.00129752 111 TYR   B HE2  
3450 H HH   . TYR   B 99  ? 0.262802  0.262802  0.262802  0           0           0           111 TYR   B HH   
3451 N N    . ALA   B 100 ? 0.162471  0.298328  0.198526  0.0183488   0.0683775   0.0101193   112 ALA   B N    
3452 C CA   . ALA   B 100 ? 0.126795  0.274069  0.160741  0.0124059   0.0583943   4.834e-05   112 ALA   B CA   
3453 C C    . ALA   B 100 ? 0.124789  0.286523  0.173827  0.00855138  0.082077    -0.00783072 112 ALA   B C    
3454 O O    . ALA   B 100 ? 0.152982  0.328155  0.161352  0.0244213   0.0991492   -0.0274466  112 ALA   B O    
3455 C CB   . ALA   B 100 ? 0.111851  0.282599  0.147051  -0.00381086 0.0525651   0.0359877   112 ALA   B CB   
3456 H H    . ALA   B 100 ? 0.160404  0.280203  0.196663  0.0152528   0.0613751   0.00516346  112 ALA   B H    
3457 H HA   . ALA   B 100 ? 0.134203  0.272135  0.170339  0.0102971   0.0580118   0.00846949  112 ALA   B HA   
3458 H HB1  . ALA   B 100 ? 0.125235  0.269939  0.155043  0.00347553  0.0507299   0.0247502   112 ALA   B HB1  
3459 H HB2  . ALA   B 100 ? 0.120538  0.269936  0.156738  0.00313369  0.0497834   0.0247343   112 ALA   B HB2  
3460 H HB3  . ALA   B 100 ? 0.125219  0.268261  0.155314  0.00403483  0.0495636   0.0263226   112 ALA   B HB3  
3461 N N    . TYR   B 101 ? 0.096812  0.290863  0.166639  0.00758437  0.086335    -0.0233877  113 TYR   B N    
3462 C CA   . TYR   B 101 ? 0.14351   0.332923  0.168875  0.00811045  0.046933    -0.00366513 113 TYR   B CA   
3463 C C    . TYR   B 101 ? 0.152585  0.373699  0.190017  0.0355542   0.0488201   -0.00720698 113 TYR   B C    
3464 O O    . TYR   B 101 ? 0.18819   0.377748  0.205122  0.0307233   0.0544861   0.0178616   113 TYR   B O    
3465 C CB   . TYR   B 101 ? 0.112116  0.343088  0.153859  0.00100592  0.0962474   0.00482777  113 TYR   B CB   
3466 C CG   . TYR   B 101 ? 0.121355  0.355492  0.168072  0.00710905  0.0683934   0.0124289   113 TYR   B CG   
3467 C CD1  . TYR   B 101 ? 0.116306  0.363972  0.186644  -0.0119179  0.0635913   0.0138464   113 TYR   B CD1  
3468 C CD2  . TYR   B 101 ? 0.147952  0.357885  0.157299  -0.00594927 0.0738617   0.0201516   113 TYR   B CD2  
3469 C CE1  . TYR   B 101 ? 0.130553  0.366676  0.185283  0.00188817  0.0640219   0.0296518   113 TYR   B CE1  
3470 C CE2  . TYR   B 101 ? 0.136224  0.346007  0.144853  0.00820589  0.0780952   0.0286076   113 TYR   B CE2  
3471 C CZ   . TYR   B 101 ? 0.130184  0.334216  0.1557    -0.0165614  0.0823031   0.0174952   113 TYR   B CZ   
3472 O OH   . TYR   B 101 ? 0.123878  0.309289  0.160871  -0.0309316  0.062704    0.0402386   113 TYR   B OH   
3473 H H    . TYR   B 101 ? 0.123606  0.280953  0.17078   0.0065642   0.0683212   -0.0134986  113 TYR   B H    
3474 H HA   . TYR   B 101 ? 0.140778  0.315625  0.177503  0.00996798  0.0595516   -0.00454028 113 TYR   B HA   
3475 H HB2  . TYR   B 101 ? 0.134646  0.325371  0.167058  0.0047021   0.0732864   0.00645632  113 TYR   B HB2  
3476 H HB3  . TYR   B 101 ? 0.134964  0.328683  0.154949  0.00773834  0.0788523   0.00641261  113 TYR   B HB3  
3477 H HD1  . TYR   B 101 ? 0.139075  0.348886  0.190672  0.00131276  0.063239    0.0191473   113 TYR   B HD1  
3478 H HD2  . TYR   B 101 ? 0.150492  0.339936  0.168607  0.00271739  0.0668565   0.0205123   113 TYR   B HD2  
3479 H HE1  . TYR   B 101 ? 0.14362   0.34353   0.186727  -0.001682   0.0630337   0.0235145   113 TYR   B HE1  
3480 H HE2  . TYR   B 101 ? 0.149546  0.331366  0.160703  0.00354969  0.0740205   0.0229955   113 TYR   B HE2  
3481 H HH   . TYR   B 101 ? 0.198716  0.198716  0.198716  0           0           0           113 TYR   B HH   
3482 N N    . GLY   B 102 ? 0.201003  0.392146  0.196361  0.0368756   0.0461362   0.00490585  114 GLY   B N    
3483 C CA   . GLY   B 102 ? 0.190132  0.411401  0.211871  0.0360637   0.0787124   0.0173936   114 GLY   B CA   
3484 C C    . GLY   B 102 ? 0.185048  0.393762  0.253673  0.030788    0.0592965   0.0306323   114 GLY   B C    
3485 O O    . GLY   B 102 ? 0.126108  0.382343  0.277803  -0.0184731  0.0937665   0.0315783   114 GLY   B O    
3486 H H    . GLY   B 102 ? 0.196664  0.376389  0.209913  0.034393    0.0513592   0.00722947  114 GLY   B H    
3487 H HA2  . GLY   B 102 ? 0.204809  0.389551  0.226239  0.0335441   0.0622345   0.0182059   114 GLY   B HA2  
3488 H HA3  . GLY   B 102 ? 0.204892  0.387863  0.226431  0.0330979   0.0622825   0.016967    114 GLY   B HA3  
3489 N N    . SER   B 103 ? 0.166035  0.456083  0.268773  0.0259608   0.0985853   0.0291917   115 SER   B N    
3490 C CA   . SER   B 103 ? 0.153869  0.479596  0.340371  0.0277993   0.107455    0.00820458  115 SER   B CA   
3491 C C    . SER   B 103 ? 0.14598   0.529669  0.386093  0.00288367  0.0798393   0.0577345   115 SER   B C    
3492 O O    . SER   B 103 ? 0.0966079 0.638966  0.464752  -0.0054689  0.193938    0.117505    115 SER   B O    
3493 C CB   . SER   B 103 ? 0.241948  0.448231  0.412494  0.0533725   0.0924047   -0.0109893  115 SER   B CB   
3494 O OG   . SER   B 103 ? 0.237816  0.449685  0.446683  0.09193     0.18887     -0.00146036 115 SER   B OG   
3495 H H    . SER   B 103 ? 0.190717  0.427404  0.284665  0.0285344   0.0844082   0.026569    115 SER   B H    
3496 H HA   . SER   B 103 ? 0.195893  0.454735  0.339736  0.0259033   0.0890641   0.0164073   115 SER   B HA   
3497 H HB2  . SER   B 103 ? 0.252948  0.450656  0.401171  0.0573306   0.101398    -0.00265485 115 SER   B HB2  
3498 H HB3  . SER   B 103 ? 0.242925  0.448811  0.400018  0.0530837   0.106121    -0.00090601 115 SER   B HB3  
3499 H HG   . SER   B 103 ? 0.376281  0.376281  0.376281  0           0           0           115 SER   B HG   
3500 N N    . ALA   B 104 ? 0.159615  0.60851   0.286591  0.0216824   0.0987504   0.0248014   116 ALA   B N    
3501 C CA   . ALA   B 104 ? 0.278887  0.606914  0.363522  0.0163667   0.0456548   0.0723013   116 ALA   B CA   
3502 C C    . ALA   B 104 ? 0.240566  0.590096  0.332357  0.0122457   0.0729498   0.0902297   116 ALA   B C    
3503 O O    . ALA   B 104 ? 0.185753  0.655046  0.311311  -0.0144056  0.0695364   0.105677    116 ALA   B O    
3504 C CB   . ALA   B 104 ? 0.398401  0.65585   0.404632  0.015436    0.0237264   0.0613952   116 ALA   B CB   
3505 H H    . ALA   B 104 ? 0.209661  0.56486   0.338515  0.0223441   0.0823673   0.046057    116 ALA   B H    
3506 H HA   . ALA   B 104 ? 0.295061  0.5925    0.363925  0.0212086   0.0542579   0.0611894   116 ALA   B HA   
3507 H HB1  . ALA   B 104 ? 0.38388   0.629776  0.409735  0.0142415   0.0293983   0.0605216   116 ALA   B HB1  
3508 H HB2  . ALA   B 104 ? 0.394982  0.625747  0.412591  0.0190426   0.0235243   0.0585462   116 ALA   B HB2  
3509 H HB3  . ALA   B 104 ? 0.382404  0.625495  0.41339   0.0167892   0.0300956   0.0589021   116 ALA   B HB3  
3510 N N    . GLY   B 105 ? 0.132029  0.551119  0.327636  0.0177624   0.0216395   0.067484    117 GLY   B N    
3511 C CA   . GLY   B 105 ? 0.149373  0.523005  0.30343   0.0248703   0.00431498  0.078954    117 GLY   B CA   
3512 C C    . GLY   B 105 ? 0.192657  0.484834  0.216675  0.0283765   0.0481412   0.0527561   117 GLY   B C    
3513 O O    . GLY   B 105 ? 0.205311  0.494728  0.27388   0.0270983   0.0210474   0.0632853   117 GLY   B O    
3514 H H    . GLY   B 105 ? 0.186891  0.534041  0.335699  0.0236902   0.0358749   0.0700436   117 GLY   B H    
3515 H HA2  . GLY   B 105 ? 0.186074  0.502152  0.308763  0.0267361   0.0216709   0.0692889   117 GLY   B HA2  
3516 H HA3  . GLY   B 105 ? 0.183868  0.499199  0.300727  0.0255061   0.0263688   0.0693087   117 GLY   B HA3  
3517 N N    . SER   B 106 ? 0.103528  0.47881   0.147524  0.0349096   0.116838    0.060441    118 SER   B N    
3518 C CA   . SER   B 106 ? 0.114875  0.477946  0.156109  0.0165813   0.105618    0.0636382   118 SER   B CA   
3519 C C    . SER   B 106 ? 0.191372  0.47103   0.206918  0.0152398   0.0559155   0.0663436   118 SER   B C    
3520 O O    . SER   B 106 ? 0.263649  0.496526  0.165769  0.0243371   0.0381343   0.063236    118 SER   B O    
3521 C CB   . SER   B 106 ? 0.0930838 0.437568  0.236209  0.00675975  0.0650599   0.0709821   118 SER   B CB   
3522 O OG   . SER   B 106 ? 0.141227  0.431731  0.241509  0.00936323  0.0223484   0.0284889   118 SER   B OG   
3523 H H    . SER   B 106 ? 0.149717  0.441273  0.182223  0.0320706   0.0994026   0.0558437   118 SER   B H    
3524 H HA   . SER   B 106 ? 0.14518   0.445242  0.192579  0.0266145   0.0937015   0.059903    118 SER   B HA   
3525 H HB2  . SER   B 106 ? 0.134666  0.426249  0.230371  0.0158409   0.0657466   0.0607587   118 SER   B HB2  
3526 H HB3  . SER   B 106 ? 0.135429  0.427778  0.230976  0.0159179   0.0658325   0.058532    118 SER   B HB3  
3527 H HG   . SER   B 106 ? 0.272681  0.272681  0.272681  0           0           0           118 SER   B HG   
3528 N N    . LEU   B 107 ? 0.155814  0.518135  0.272613  -0.00750613 0.0533981   0.0924663   119 LEU   B N    
3529 C CA   . LEU   B 107 ? 0.217479  0.558862  0.295239  -0.00153465 0.070981    0.110853    119 LEU   B CA   
3530 C C    . LEU   B 107 ? 0.25418   0.544068  0.308668  -0.00115418 0.0417853   0.111498    119 LEU   B C    
3531 O O    . LEU   B 107 ? 0.300246  0.515829  0.269913  0.0346016   0.00990587  0.0896024   119 LEU   B O    
3532 C CB   . LEU   B 107 ? 0.211939  0.621813  0.336486  -0.0232185  0.0849946   0.0880006   119 LEU   B CB   
3533 C CG   . LEU   B 107 ? 0.149188  0.620826  0.336673  -0.0509187  0.129133    0.142781    119 LEU   B CG   
3534 C CD1  . LEU   B 107 ? 0.153206  0.644485  0.417034  -0.0482508  0.136617    0.0966151   119 LEU   B CD1  
3535 C CD2  . LEU   B 107 ? 0.145572  0.634326  0.410719  -0.0507197  0.101994    0.151415    119 LEU   B CD2  
3536 H H    . LEU   B 107 ? 0.200314  0.495825  0.271343  0.00498329  0.0592934   0.0846389   119 LEU   B H    
3537 H HA   . LEU   B 107 ? 0.234778  0.532702  0.309316  -0.00053492 0.0630689   0.0934014   119 LEU   B HA   
3538 H HB2  . LEU   B 107 ? 0.232755  0.577892  0.339678  -0.0141154  0.0894245   0.0941675   119 LEU   B HB2  
3539 H HB3  . LEU   B 107 ? 0.232787  0.593418  0.347465  -0.0137657  0.0882296   0.0927123   119 LEU   B HB3  
3540 H HG   . LEU   B 107 ? 0.198783  0.595625  0.367301  -0.0314814  0.115781    0.129384    119 LEU   B HG   
3541 H HD11 . LEU   B 107 ? 0.197098  0.605267  0.400518  -0.0345891  0.12812     0.0996235   119 LEU   B HD11 
3542 H HD12 . LEU   B 107 ? 0.193292  0.61516   0.401202  -0.0340619  0.125299    0.104843    119 LEU   B HD12 
3543 H HD13 . LEU   B 107 ? 0.196069  0.622349  0.408738  -0.0333624  0.128001    0.0988391   119 LEU   B HD13 
3544 H HD21 . LEU   B 107 ? 0.189372  0.610125  0.395154  -0.0331521  0.107822    0.139837    119 LEU   B HD21 
3545 H HD22 . LEU   B 107 ? 0.189166  0.61343   0.398838  -0.0335428  0.106885    0.138295    119 LEU   B HD22 
3546 H HD23 . LEU   B 107 ? 0.183027  0.610029  0.393127  -0.0334798  0.101049    0.140658    119 LEU   B HD23 
3547 N N    . PRO   B 108 ? 0.220623  0.565879  0.286283  0.0228608   0.0511124   0.156617    120 PRO   B N    
3548 C CA   . PRO   B 108 ? 0.297362  0.554371  0.315775  0.00355445  -0.0107583  0.145624    120 PRO   B CA   
3549 C C    . PRO   B 108 ? 0.301351  0.501485  0.311732  -0.0156883  -0.0101487  0.0911352   120 PRO   B C    
3550 O O    . PRO   B 108 ? 0.381554  0.437179  0.294326  -0.0199114  -0.0193676  0.0866758   120 PRO   B O    
3551 C CB   . PRO   B 108 ? 0.311315  0.606381  0.288778  -0.0150106  -0.0157652  0.166218    120 PRO   B CB   
3552 C CG   . PRO   B 108 ? 0.256569  0.600684  0.280614  0.00088215  0.0297159   0.197369    120 PRO   B CG   
3553 C CD   . PRO   B 108 ? 0.219224  0.599033  0.306028  -0.0116817  0.0627926   0.186113    120 PRO   B CD   
3554 H HA   . PRO   B 108 ? 0.306237  0.538262  0.320509  0.00354369  0.00795358  0.126457    120 PRO   B HA   
3555 H HB2  . PRO   B 108 ? 0.316413  0.564678  0.313885  -0.00146031 0.00262666  0.14792     120 PRO   B HB2  
3556 H HB3  . PRO   B 108 ? 0.31773   0.571991  0.318068  -0.00109294 0.00056092  0.151113    120 PRO   B HB3  
3557 H HG2  . PRO   B 108 ? 0.279973  0.578745  0.302713  0.00237117  0.0345206   0.170341    120 PRO   B HG2  
3558 H HG3  . PRO   B 108 ? 0.280448  0.575394  0.29649   0.00400201  0.0289621   0.176265    120 PRO   B HG3  
3559 H HD2  . PRO   B 108 ? 0.240223  0.56396   0.313644  -0.00293596 0.0571819   0.165082    120 PRO   B HD2  
3560 H HD3  . PRO   B 108 ? 0.251085  0.569566  0.313269  0.00392919  0.0557547   0.164625    120 PRO   B HD3  
3561 N N    . LYS   B 109 ? 0.314835  0.47446   0.232414  -0.0175569  0.00645542  0.0776988   121 LYS   B N    
3562 C CA   . LYS   B 109 ? 0.336238  0.461944  0.258883  -0.0128173  -0.00738818 0.0679466   121 LYS   B CA   
3563 C C    . LYS   B 109 ? 0.270955  0.432372  0.266943  -0.03263    0.00557887  0.0737312   121 LYS   B C    
3564 O O    . LYS   B 109 ? 0.278757  0.423359  0.284292  -0.10725    -0.0147511  0.0804263   121 LYS   B O    
3565 C CB   . LYS   B 109 ? 0.336351  0.425171  0.296027  -0.0312764  -0.00104053 0.0547205   121 LYS   B CB   
3566 C CG   . LYS   B 109 ? 0.395976  0.415327  0.373618  -0.0150816  0.00190753  0.035131    121 LYS   B CG   
3567 C CD   . LYS   B 109 ? 0.417004  0.409759  0.44209   -0.034807   0.0132533   0.038378    121 LYS   B CD   
3568 C CE   . LYS   B 109 ? 0.459929  0.377317  0.463066  -0.00361945 -0.0262578  0.0308703   121 LYS   B CE   
3569 N NZ   . LYS   B 109 ? 0.459564  0.395141  0.44109   0.00091466  -0.0284898  0.0365386   121 LYS   B NZ   
3570 H H    . LYS   B 109 ? 0.319543  0.458786  0.268737  -0.0135145  0.0022558   0.0689287   121 LYS   B H    
3571 H HA   . LYS   B 109 ? 0.325377  0.443883  0.27656   -0.0163826  0.00207528  0.0610564   121 LYS   B HA   
3572 H HB2  . LYS   B 109 ? 0.347668  0.422263  0.306687  -0.0198448  -0.00208454 0.0485544   121 LYS   B HB2  
3573 H HB3  . LYS   B 109 ? 0.348725  0.419453  0.308662  -0.0204137  -0.00057115 0.0479413   121 LYS   B HB3  
3574 H HG2  . LYS   B 109 ? 0.391464  0.416279  0.368834  -0.0182308  0.00376981  0.0357756   121 LYS   B HG2  
3575 H HG3  . LYS   B 109 ? 0.384842  0.416013  0.369711  -0.0214184  0.00562771  0.0352597   121 LYS   B HG3  
3576 H HD2  . LYS   B 109 ? 0.421333  0.407476  0.433927  -0.0211511  0.00456423  0.033955    121 LYS   B HD2  
3577 H HD3  . LYS   B 109 ? 0.417776  0.406554  0.424402  -0.022866   0.00469795  0.0345053   121 LYS   B HD3  
3578 H HE2  . LYS   B 109 ? 0.448328  0.396001  0.450472  -0.00914413 -0.0158687  0.0299737   121 LYS   B HE2  
3579 H HE3  . LYS   B 109 ? 0.450964  0.39627   0.455465  -0.00825647 -0.0192197  0.0289476   121 LYS   B HE3  
3580 H HZ1  . LYS   B 109 ? 0.455278  0.39647   0.443619  -0.001439   -0.023139   0.0314576   121 LYS   B HZ1  
3581 H HZ2  . LYS   B 109 ? 0.455481  0.396317  0.443784  -0.00149302 -0.0242021  0.0308235   121 LYS   B HZ2  
3582 H HZ3  . LYS   B 109 ? 0.455727  0.39642   0.444625  -0.00107741 -0.0239878  0.0312559   121 LYS   B HZ3  
3583 N N    . ILE   B 110 ? 0.292745  0.444833  0.234805  0.00242767  0.023432    0.0811746   122 ILE   B N    
3584 C CA   . ILE   B 110 ? 0.248416  0.425616  0.244749  -0.0157527  0.0268015   0.0856764   122 ILE   B CA   
3585 C C    . ILE   B 110 ? 0.235839  0.428648  0.281187  -0.0231278  0.0238743   0.0845342   122 ILE   B C    
3586 O O    . ILE   B 110 ? 0.144537  0.499358  0.262721  -0.0254474  0.0898283   0.103306    122 ILE   B O    
3587 C CB   . ILE   B 110 ? 0.182597  0.398405  0.236272  -0.0184662  0.0583194   0.0526115   122 ILE   B CB   
3588 C CG1  . ILE   B 110 ? 0.187863  0.395479  0.228479  -0.00517237 0.0532099   0.049736    122 ILE   B CG1  
3589 C CG2  . ILE   B 110 ? 0.097568  0.391279  0.25522   -0.0145361  0.084197    0.0768136   122 ILE   B CG2  
3590 C CD1  . ILE   B 110 ? 0.154752  0.384474  0.236664  -0.0151781  0.0724285   0.0386582   122 ILE   B CD1  
3591 H H    . ILE   B 110 ? 0.284552  0.425056  0.25608   -0.0072112  0.0208221   0.0702613   122 ILE   B H    
3592 H HA   . ILE   B 110 ? 0.249494  0.410606  0.258207  -0.0117751  0.0305758   0.0692305   122 ILE   B HA   
3593 H HB   . ILE   B 110 ? 0.191076  0.383103  0.243626  -0.00998205 0.0551511   0.0531902   122 ILE   B HB   
3594 H HG12 . ILE   B 110 ? 0.192255  0.381587  0.235517  -0.00594031 0.0535901   0.0453413   122 ILE   B HG12 
3595 H HG13 . ILE   B 110 ? 0.192737  0.382838  0.23881   -0.00593916 0.054994    0.043766    122 ILE   B HG13 
3596 H HG21 . ILE   B 110 ? 0.135493  0.370823  0.2494    -0.0123611  0.0760771   0.0664789   122 ILE   B HG21 
3597 H HG22 . ILE   B 110 ? 0.138136  0.37409   0.250962  -0.0092616  0.0742806   0.0628407   122 ILE   B HG22 
3598 H HG23 . ILE   B 110 ? 0.123179  0.374972  0.252251  -0.00370446 0.0768163   0.063943    122 ILE   B HG23 
3599 H HD11 . ILE   B 110 ? 0.175972  0.374311  0.241644  -0.0082477  0.0633587   0.0390614   122 ILE   B HD11 
3600 H HD12 . ILE   B 110 ? 0.169196  0.373885  0.240409  -0.00691883 0.0631248   0.0391571   122 ILE   B HD12 
3601 H HD13 . ILE   B 110 ? 0.176112  0.37116   0.24036   -0.00953807 0.0631097   0.0399712   122 ILE   B HD13 
3602 N N    . PRO   B 111 ? 0.203162  0.427446  0.291603  -0.0119526  0.0165564   0.100008    123 PRO   B N    
3603 C CA   . PRO   B 111 ? 0.208171  0.474548  0.35506   -0.0189969  0.0402597   0.0904559   123 PRO   B CA   
3604 C C    . PRO   B 111 ? 0.110759  0.465151  0.338051  -0.00674708 0.0663251   0.0962716   123 PRO   B C    
3605 O O    . PRO   B 111 ? 0.044494  0.486979  0.323832  -0.035218   0.0384758   0.0879673   123 PRO   B O    
3606 C CB   . PRO   B 111 ? 0.199209  0.476402  0.374725  -0.0179881  0.0172089   0.0780879   123 PRO   B CB   
3607 C CG   . PRO   B 111 ? 0.246256  0.474228  0.329577  -0.0382289  0.0241698   0.0693397   123 PRO   B CG   
3608 C CD   . PRO   B 111 ? 0.257206  0.435937  0.292534  -0.0235563  -0.0127618  0.0990324   123 PRO   B CD   
3609 H HA   . PRO   B 111 ? 0.210578  0.453548  0.348835  -0.0102314  0.0370295   0.0844262   123 PRO   B HA   
3610 H HB2  . PRO   B 111 ? 0.227393  0.463557  0.358267  -0.0148849  0.0227142   0.0736135   123 PRO   B HB2  
3611 H HB3  . PRO   B 111 ? 0.232789  0.466345  0.362951  -0.0160496  0.0239806   0.0697794   123 PRO   B HB3  
3612 H HG2  . PRO   B 111 ? 0.255565  0.455279  0.337038  -0.0251806  0.0162781   0.0702199   123 PRO   B HG2  
3613 H HG3  . PRO   B 111 ? 0.255571  0.455338  0.334771  -0.0249512  0.0159511   0.0709407   123 PRO   B HG3  
3614 H HD2  . PRO   B 111 ? 0.255666  0.42993   0.306751  -0.0183974  0.00305688  0.0820505   123 PRO   B HD2  
3615 H HD3  . PRO   B 111 ? 0.253481  0.426514  0.303379  -0.0174503  0.00390821  0.0845443   123 PRO   B HD3  
3616 N N    . SER   B 112 ? 0.0939546 0.535384  0.336429  0.00323191  0.104815    0.114151    124 SER   B N    
3617 C CA   . SER   B 112 ? 0.191138  0.524775  0.326514  -0.00514735 0.107095    0.115997    124 SER   B CA   
3618 C C    . SER   B 112 ? 0.118407  0.462627  0.315926  -0.0127381  0.0677494   0.0614944   124 SER   B C    
3619 O O    . SER   B 112 ? 0.0915835 0.532207  0.307111  -0.0658873  0.132286    0.0600047   124 SER   B O    
3620 C CB   . SER   B 112 ? 0.190666  0.5286    0.429759  0.0346151   0.101328    0.0800054   124 SER   B CB   
3621 O OG   . SER   B 112 ? 0.348607  0.591064  0.532828  0.083016    0.0623658   0.0828016   124 SER   B OG   
3622 H H    . SER   B 112 ? 0.152659  0.494183  0.336296  0.00434737  0.0974851   0.108759    124 SER   B H    
3623 H HA   . SER   B 112 ? 0.187557  0.495626  0.348472  0.00650685  0.0917313   0.0918192   124 SER   B HA   
3624 H HB2  . SER   B 112 ? 0.242505  0.520494  0.41683   0.032813    0.0885998   0.0825521   124 SER   B HB2  
3625 H HB3  . SER   B 112 ? 0.240593  0.512025  0.416081  0.0282999   0.0876655   0.081043    124 SER   B HB3  
3626 H HG   . SER   B 112 ? 0.494194  0.494194  0.494194  0           0           0           124 SER   B HG   
3627 N N    . ASN   B 113 ? 0.117659  0.502454  0.274652  -0.0447913  0.0314681   0.0650292   125 ASN   B N    
3628 C CA   . ASN   B 113 ? 0.0717042 0.464883  0.284153  -0.0532967  0.0454431   0.0650283   125 ASN   B CA   
3629 C C    . ASN   B 113 ? 0.047534  0.430467  0.304597  -0.0690353  0.039338    0.0660517   125 ASN   B C    
3630 O O    . ASN   B 113 ? 0.0882446 0.434271  0.390008  -0.0338489  -0.0236164  0.0446128   125 ASN   B O    
3631 C CB   . ASN   B 113 ? 0.0705571 0.492108  0.261611  -0.0305563  0.0748782   0.099567    125 ASN   B CB   
3632 C CG   . ASN   B 113 ? 0.155136  0.49949   0.254367  -0.0268053  0.0288462   0.0501363   125 ASN   B CG   
3633 O OD1  . ASN   B 113 ? 0.206918  0.605711  0.267943  -0.060991   0.0660827   0.0448614   125 ASN   B OD1  
3634 N ND2  . ASN   B 113 ? 0.132607  0.454715  0.281953  -0.0329859  0.00709983  -0.0112727  125 ASN   B ND2  
3635 H H    . ASN   B 113 ? 0.141683  0.457678  0.293446  -0.0299881  0.0452479   0.0596112   125 ASN   B H    
3636 H HA   . ASN   B 113 ? 0.110114  0.448451  0.291514  -0.0362105  0.0529632   0.072651    125 ASN   B HA   
3637 H HB2  . ASN   B 113 ? 0.120441  0.460389  0.273696  -0.0261003  0.0661428   0.084999    125 ASN   B HB2  
3638 H HB3  . ASN   B 113 ? 0.123452  0.466864  0.271084  -0.0216547  0.0618843   0.0801004   125 ASN   B HB3  
3639 H HD21 . ASN   B 113 ? 0.163339  0.43959   0.283126  -0.016229   0.0224812   0.00945978  125 ASN   B HD21 
3640 H HD22 . ASN   B 113 ? 0.162644  0.448172  0.284008  -0.019187   0.0221904   0.0135122   125 ASN   B HD22 
3641 N N    . ALA   B 114 ? 0.0358888 0.397383  0.271208  -0.0644206  0.0606104   0.0556056   126 ALA   B N    
3642 C CA   . ALA   B 114 ? 0.072373  0.367038  0.255481  -0.0256398  0.033944    0.0635802   126 ALA   B CA   
3643 C C    . ALA   B 114 ? 0.121956  0.328101  0.224121  -0.022098   0.0132508   0.0510309   126 ALA   B C    
3644 O O    . ALA   B 114 ? 0.137531  0.361181  0.171833  -0.0256955  0.0267525   0.00893076  126 ALA   B O    
3645 C CB   . ALA   B 114 ? 0.0908618 0.383068  0.255847  -0.0378115  0.0430295   0.0863062   126 ALA   B CB   
3646 H H    . ALA   B 114 ? 0.0795791 0.379003  0.268051  -0.0442182  0.0486045   0.0552957   126 ALA   B H    
3647 H HA   . ALA   B 114 ? 0.103215  0.35162   0.254805  -0.0273935  0.0378595   0.0598434   126 ALA   B HA   
3648 H HB1  . ALA   B 114 ? 0.110615  0.364769  0.255622  -0.0248446  0.0441673   0.0771059   126 ALA   B HB1  
3649 H HB2  . ALA   B 114 ? 0.110297  0.361806  0.258384  -0.0265052  0.0408074   0.074257    126 ALA   B HB2  
3650 H HB3  . ALA   B 114 ? 0.112066  0.365449  0.259045  -0.0240129  0.041864    0.0755737   126 ALA   B HB3  
3651 N N    . THR   B 115 ? 0.112431  0.330304  0.217358  -0.0300156  0.0371853   0.0357734   127 THR   B N    
3652 C CA   . THR   B 115 ? 0.0954347 0.299961  0.208457  -0.0179401  0.0285783   0.0428528   127 THR   B CA   
3653 C C    . THR   B 115 ? 0.102309  0.275923  0.219681  -0.0217978  0.0375809   0.0584666   127 THR   B C    
3654 O O    . THR   B 115 ? 0.14254   0.285242  0.273625  -0.0271897  0.0243964   0.0500397   127 THR   B O    
3655 C CB   . THR   B 115 ? 0.088542  0.309399  0.206491  0.00191512  0.0184829   0.0286908   127 THR   B CB   
3656 O OG1  . THR   B 115 ? 0.1895    0.305211  0.289977  0.00368088  -0.0407747  0.00796436  127 THR   B OG1  
3657 C CG2  . THR   B 115 ? 0.0846072 0.283929  0.187151  0.00480211  0.00920846  0.0639564   127 THR   B CG2  
3658 H H    . THR   B 115 ? 0.12455   0.310311  0.221126  -0.0209997  0.0299471   0.0397033   127 THR   B H    
3659 H HA   . THR   B 115 ? 0.115403  0.288734  0.213234  -0.0128827  0.0302826   0.0405345   127 THR   B HA   
3660 H HB   . THR   B 115 ? 0.120077  0.29125   0.217348  0.00199548  0.0125253   0.0345589   127 THR   B HB   
3661 H HG1  . THR   B 115 ? 0.264702  0.264702  0.264702  0           0           0           127 THR   B HG1  
3662 H HG21 . THR   B 115 ? 0.100903  0.278145  0.190712  0.00650991  0.0117893   0.0502781   127 THR   B HG21 
3663 H HG22 . THR   B 115 ? 0.101493  0.274706  0.194323  0.00509247  0.0146196   0.0517241   127 THR   B HG22 
3664 H HG23 . THR   B 115 ? 0.101331  0.277291  0.194566  0.00853968  0.0142718   0.0513706   127 THR   B HG23 
3665 N N    . LEU   B 116 ? 0.1241    0.251184  0.197798  -0.0384817  0.0330283   0.0686632   128 LEU   B N    
3666 C CA   . LEU   B 116 ? 0.126983  0.265212  0.17132   -0.0200852  0.0386513   0.0553074   128 LEU   B CA   
3667 C C    . LEU   B 116 ? 0.111733  0.244403  0.172416  -0.0220414  0.0384092   0.0454877   128 LEU   B C    
3668 O O    . LEU   B 116 ? 0.110774  0.252987  0.191894  -0.0308926  0.0498299   0.0487222   128 LEU   B O    
3669 C CB   . LEU   B 116 ? 0.15025   0.304884  0.181572  -0.00313631 0.0182962   0.0239372   128 LEU   B CB   
3670 C CG   . LEU   B 116 ? 0.173483  0.3751    0.204867  -0.0248208  0.0383737   0.00525349  128 LEU   B CG   
3671 C CD1  . LEU   B 116 ? 0.158386  0.376004  0.146994  -0.0422681  0.059084    0.0179722   128 LEU   B CD1  
3672 C CD2  . LEU   B 116 ? 0.186492  0.407674  0.195263  -0.0163103  0.0512173   0.0209523   128 LEU   B CD2  
3673 H H    . LEU   B 116 ? 0.129666  0.247643  0.196243  -0.025055   0.0333047   0.0582396   128 LEU   B H    
3674 H HA   . LEU   B 116 ? 0.135603  0.255129  0.180851  -0.0172461  0.0324448   0.0464944   128 LEU   B HA   
3675 H HB2  . LEU   B 116 ? 0.158273  0.299653  0.189447  -0.00609661 0.0266287   0.0255588   128 LEU   B HB2  
3676 H HB3  . LEU   B 116 ? 0.155974  0.296545  0.188529  -0.00530306 0.0269528   0.027116    128 LEU   B HB3  
3677 H HG   . LEU   B 116 ? 0.182518  0.356918  0.198335  -0.017122   0.0404727   0.0160848   128 LEU   B HG   
3678 H HD11 . LEU   B 116 ? 0.172529  0.35584   0.171456  -0.0306691  0.0553125   0.0197144   128 LEU   B HD11 
3679 H HD12 . LEU   B 116 ? 0.1733    0.358705  0.164728  -0.0268731  0.057057    0.0151538   128 LEU   B HD12 
3680 H HD13 . LEU   B 116 ? 0.174253  0.359414  0.172436  -0.0279     0.0539063   0.0177951   128 LEU   B HD13 
3681 H HD21 . LEU   B 116 ? 0.194869  0.379649  0.210313  -0.012631   0.0456569   0.0186269   128 LEU   B HD21 
3682 H HD22 . LEU   B 116 ? 0.197665  0.383431  0.210557  -0.0125575  0.0461288   0.0180023   128 LEU   B HD22 
3683 H HD23 . LEU   B 116 ? 0.196055  0.382013  0.207639  -0.0121956  0.0473185   0.0170723   128 LEU   B HD23 
3684 N N    . PHE   B 117 ? 0.126669  0.239199  0.170005  -0.0230585  0.0291289   0.0642166   129 PHE   B N    
3685 C CA   . PHE   B 117 ? 0.11222   0.239126  0.173495  -0.0178466  0.0264386   0.0415362   129 PHE   B CA   
3686 C C    . PHE   B 117 ? 0.1274    0.221849  0.177226  -0.0251657  0.00726052  0.0400653   129 PHE   B C    
3687 O O    . PHE   B 117 ? 0.106186  0.257837  0.231158  -0.0433679  0.00214982  0.0802483   129 PHE   B O    
3688 C CB   . PHE   B 117 ? 0.0964937 0.223979  0.218495  -0.020601   0.0409191   0.0436031   129 PHE   B CB   
3689 C CG   . PHE   B 117 ? 0.148228  0.237578  0.233682  -0.0156827  0.0420943   0.0141286   129 PHE   B CG   
3690 C CD1  . PHE   B 117 ? 0.148545  0.233026  0.226666  -0.0150753  0.0531976   -0.00019141 129 PHE   B CD1  
3691 C CD2  . PHE   B 117 ? 0.169671  0.23257   0.246338  -0.0120563  0.0766457   0.0128493   129 PHE   B CD2  
3692 C CE1  . PHE   B 117 ? 0.155904  0.238593  0.240729  -0.0207681  0.044687    -0.00865649 129 PHE   B CE1  
3693 C CE2  . PHE   B 117 ? 0.193547  0.22956   0.269553  0.00996478  0.0764073   -0.00936325 129 PHE   B CE2  
3694 C CZ   . PHE   B 117 ? 0.188382  0.256534  0.249766  -0.0139615  0.0491077   -0.0122643  129 PHE   B CZ   
3695 H H    . PHE   B 117 ? 0.127795  0.231115  0.169316  -0.0177015  0.0292424   0.0522661   129 PHE   B H    
3696 H HA   . PHE   B 117 ? 0.123947  0.228936  0.182404  -0.0165783  0.0249436   0.0397909   129 PHE   B HA   
3697 H HB2  . PHE   B 117 ? 0.114505  0.225499  0.206134  -0.0133999  0.0329738   0.0345494   129 PHE   B HB2  
3698 H HB3  . PHE   B 117 ? 0.119376  0.224073  0.205639  -0.0147175  0.0349775   0.0354011   129 PHE   B HB3  
3699 H HD1  . PHE   B 117 ? 0.156449  0.232501  0.228     -0.0125327  0.0436584   0.00207048  129 PHE   B HD1  
3700 H HD2  . PHE   B 117 ? 0.174383  0.232629  0.24228   -0.00616318 0.0595995   0.00811953  129 PHE   B HD2  
3701 H HE1  . PHE   B 117 ? 0.167238  0.239086  0.235905  -0.0143705  0.042809    -0.00557455 129 PHE   B HE1  
3702 H HE2  . PHE   B 117 ? 0.188667  0.235999  0.254598  0.00170012  0.0608077   -0.00281798 129 PHE   B HE2  
3703 H HZ   . PHE   B 117 ? 0.186944  0.244692  0.24965   -0.0087419  0.0457097   -0.00750069 129 PHE   B HZ   
3704 N N    . PHE   B 118 ? 0.153556  0.218724  0.145351  -0.031923   0.0105674   0.033519    130 PHE   B N    
3705 C CA   . PHE   B 118 ? 0.152957  0.195868  0.15866   -0.023665   0.0434719   0.0268945   130 PHE   B CA   
3706 C C    . PHE   B 118 ? 0.163454  0.19679   0.15958   -0.028127   0.040628    0.027636    130 PHE   B C    
3707 O O    . PHE   B 118 ? 0.128071  0.187755  0.132493  -0.0236538  0.0640701   0.0202187   130 PHE   B O    
3708 C CB   . PHE   B 118 ? 0.110218  0.222448  0.144514  -0.0133116  0.0418521   0.0261462   130 PHE   B CB   
3709 C CG   . PHE   B 118 ? 0.135939  0.220727  0.138796  -0.0156117  0.0590385   0.0273736   130 PHE   B CG   
3710 C CD1  . PHE   B 118 ? 0.186471  0.232538  0.130019  0.00770765  0.06225     0.0142638   130 PHE   B CD1  
3711 C CD2  . PHE   B 118 ? 0.135972  0.227034  0.122206  -0.0160838  0.0849444   0.0327495   130 PHE   B CD2  
3712 C CE1  . PHE   B 118 ? 0.120233  0.238001  0.129766  -0.0068118  0.0851794   0.0105957   130 PHE   B CE1  
3713 C CE2  . PHE   B 118 ? 0.164875  0.238093  0.133164  0.00910719  0.0722555   0.0113696   130 PHE   B CE2  
3714 C CZ   . PHE   B 118 ? 0.168795  0.248611  0.136654  0.00985671  0.0901138   0.00584262  130 PHE   B CZ   
3715 H H    . PHE   B 118 ? 0.149756  0.209384  0.156931  -0.0236482  0.01609     0.0309655   130 PHE   B H    
3716 H HA   . PHE   B 118 ? 0.148521  0.201734  0.155315  -0.0206364  0.0329394   0.0258416   130 PHE   B HA   
3717 H HB2  . PHE   B 118 ? 0.127857  0.211378  0.149105  -0.0128378  0.0419375   0.0232191   130 PHE   B HB2  
3718 H HB3  . PHE   B 118 ? 0.120947  0.210056  0.148573  -0.0107944  0.0417486   0.0240043   130 PHE   B HB3  
3719 H HD1  . PHE   B 118 ? 0.159106  0.226901  0.13945   -0.00069451 0.0602742   0.0161247   130 PHE   B HD1  
3720 H HD2  . PHE   B 118 ? 0.144851  0.221942  0.133882  -0.00829878 0.0682416   0.0246872   130 PHE   B HD2  
3721 H HE1  . PHE   B 118 ? 0.144556  0.229358  0.136135  0.00299219  0.0734021   0.0106561   130 PHE   B HE1  
3722 H HE2  . PHE   B 118 ? 0.159993  0.231549  0.13726   0.00344455  0.0705079   0.0153185   130 PHE   B HE2  
3723 H HZ   . PHE   B 118 ? 0.158312  0.237609  0.137284  0.00566094  0.0766124   0.00796092  130 PHE   B HZ   
3724 N N    . GLU   B 119 ? 0.119523  0.20992   0.145258  -0.0405339  0.0434557   0.0178533   131 GLU   B N    
3725 C CA   . GLU   B 119 ? 0.0985326 0.203535  0.178974  -0.0389997  0.038339    0.0163294   131 GLU   B CA   
3726 C C    . GLU   B 119 ? 0.12897   0.205042  0.163989  -0.0447476  0.0209654   0.0215015   131 GLU   B C    
3727 O O    . GLU   B 119 ? 0.131472  0.279108  0.18232   -0.0683476  0.00872358  0.0292576   131 GLU   B O    
3728 C CB   . GLU   B 119 ? 0.0969256 0.215668  0.170271  -0.0486279  0.0361975   0.00199672  131 GLU   B CB   
3729 C CG   . GLU   B 119 ? 0.0944705 0.210843  0.181412  -0.017497   0.0333481   0.0016383   131 GLU   B CG   
3730 C CD   . GLU   B 119 ? 0.113054  0.226382  0.19084   -0.0189462  0.0253544   0.0109604   131 GLU   B CD   
3731 O OE1  . GLU   B 119 ? 0.197607  0.200651  0.194577  0.0136259   -0.00033564 -0.0235546  131 GLU   B OE1  
3732 O OE2  . GLU   B 119 ? 0.172878  0.229537  0.252167  0.0125073   0.0254926   0.0423183   131 GLU   B OE2  
3733 H H    . GLU   B 119 ? 0.127944  0.200558  0.155311  -0.031993   0.0382197   0.0188161   131 GLU   B H    
3734 H HA   . GLU   B 119 ? 0.115868  0.203714  0.167934  -0.0354124  0.0336819   0.0131409   131 GLU   B HA   
3735 H HB2  . GLU   B 119 ? 0.102615  0.207177  0.172518  -0.0336056  0.0316928   0.00524471  131 GLU   B HB2  
3736 H HB3  . GLU   B 119 ? 0.105131  0.207787  0.174024  -0.0328523  0.0336142   0.00540666  131 GLU   B HB3  
3737 H HG2  . GLU   B 119 ? 0.106756  0.210106  0.178785  -0.0206098  0.0295903   0.00458898  131 GLU   B HG2  
3738 H HG3  . GLU   B 119 ? 0.107965  0.210177  0.17937   -0.0202224  0.0305461   0.00439289  131 GLU   B HG3  
3739 N N    . ILE   B 120 ? 0.136884  0.197299  0.135134  -0.0385716  0.0289681   0.0244223   132 ILE   B N    
3740 C CA   . ILE   B 120 ? 0.125298  0.192021  0.133759  -0.0179103  0.0373369   0.00390656  132 ILE   B CA   
3741 C C    . ILE   B 120 ? 0.140703  0.195602  0.139563  -0.0160245  0.046412    0.0052925   132 ILE   B C    
3742 O O    . ILE   B 120 ? 0.122633  0.199145  0.134774  -0.00645431 0.0314918   0.0055418   132 ILE   B O    
3743 C CB   . ILE   B 120 ? 0.093768  0.188173  0.121867  -0.00366296 0.0411059   0.00849046  132 ILE   B CB   
3744 C CG1  . ILE   B 120 ? 0.109204  0.201166  0.103013  0.00051244  0.0457862   0.00996663  132 ILE   B CG1  
3745 C CG2  . ILE   B 120 ? 0.123305  0.183434  0.14822   -0.00013487 0.0356192   0.00546081  132 ILE   B CG2  
3746 C CD1  . ILE   B 120 ? 0.129088  0.218065  0.129989  -0.00093432 0.0398896   0.017681    132 ILE   B CD1  
3747 H H    . ILE   B 120 ? 0.134512  0.193686  0.139801  -0.0298558  0.0261751   0.018166    132 ILE   B H    
3748 H HA   . ILE   B 120 ? 0.126957  0.189786  0.136417  -0.0163124  0.0352348   0.00766384  132 ILE   B HA   
3749 H HB   . ILE   B 120 ? 0.110796  0.185029  0.12453   -0.00347589 0.036929    0.00789641  132 ILE   B HB   
3750 H HG12 . ILE   B 120 ? 0.11296   0.194431  0.113178  0.0003191   0.0395384   0.0120228   132 ILE   B HG12 
3751 H HG13 . ILE   B 120 ? 0.112684  0.19449   0.115839  -0.00057464 0.0395562   0.0107213   132 ILE   B HG13 
3752 H HG21 . ILE   B 120 ? 0.11897   0.182147  0.141338  -0.00080524 0.0338616   0.00541203  132 ILE   B HG21 
3753 H HG22 . ILE   B 120 ? 0.119035  0.183141  0.143124  -0.00124109 0.0342742   0.00458582  132 ILE   B HG22 
3754 H HG23 . ILE   B 120 ? 0.121318  0.18271   0.143127  -0.0011399  0.031724    0.00553109  132 ILE   B HG23 
3755 H HD11 . ILE   B 120 ? 0.128278  0.208026  0.128644  0.00046418  0.0386342   0.0131391   132 ILE   B HD11 
3756 H HD12 . ILE   B 120 ? 0.130312  0.207705  0.127601  0.00046451  0.036887    0.0139644   132 ILE   B HD12 
3757 H HD13 . ILE   B 120 ? 0.128812  0.207716  0.127244  0.00101721  0.0386082   0.0140677   132 ILE   B HD13 
3758 N N    . GLU   B 121 ? 0.143835  0.195449  0.143312  -0.00948881 0.0585154   0.00132905  133 GLU   B N    
3759 C CA   . GLU   B 121 ? 0.144173  0.200182  0.161277  -0.012902   0.0629249   -0.0102547  133 GLU   B CA   
3760 C C    . GLU   B 121 ? 0.153848  0.184203  0.15444   0.00218802  0.050734    -0.00793571 133 GLU   B C    
3761 O O    . GLU   B 121 ? 0.157823  0.198931  0.170652  -0.0230574  0.00913114  0.00982878  133 GLU   B O    
3762 C CB   . GLU   B 121 ? 0.149578  0.203945  0.198756  -0.00351731 0.0744849   -0.0171986  133 GLU   B CB   
3763 C CG   . GLU   B 121 ? 0.17212   0.249145  0.228333  0.00980812  0.104463    -0.0389662  133 GLU   B CG   
3764 C CD   . GLU   B 121 ? 0.216171  0.258781  0.349245  0.0174989   0.103989    -0.00571741 133 GLU   B CD   
3765 O OE1  . GLU   B 121 ? 0.275297  0.248837  0.390931  0.0199836   0.10523     0.00442437  133 GLU   B OE1  
3766 O OE2  . GLU   B 121 ? 0.27063   0.301106  0.354947  0.0862356   0.156874    -0.0312971  133 GLU   B OE2  
3767 H H    . GLU   B 121 ? 0.144765  0.192733  0.146061  -0.0102979  0.0503531   0.00127787  133 GLU   B H    
3768 H HA   . GLU   B 121 ? 0.148774  0.194155  0.16274   -0.00702321 0.0549348   -0.00721036 133 GLU   B HA   
3769 H HB2  . GLU   B 121 ? 0.155576  0.207591  0.191842  -0.00327783 0.0682892   -0.0168932  133 GLU   B HB2  
3770 H HB3  . GLU   B 121 ? 0.155618  0.208463  0.192785  -0.00281019 0.0689427   -0.0166449  133 GLU   B HB3  
3771 H HG2  . GLU   B 121 ? 0.176593  0.235457  0.232564  0.00729562  0.0853792   -0.0223857  133 GLU   B HG2  
3772 H HG3  . GLU   B 121 ? 0.176426  0.235576  0.233364  0.00705483  0.0855181   -0.0228537  133 GLU   B HG3  
3773 N N    . LEU   B 122 ? 0.148284  0.190143  0.15881   -0.0187498  0.0728688   -0.0113765  134 LEU   B N    
3774 C CA   . LEU   B 122 ? 0.151009  0.193262  0.156611  -0.018697   0.0583549   -0.0142472  134 LEU   B CA   
3775 C C    . LEU   B 122 ? 0.165619  0.192275  0.168843  -0.00723242 0.0575771   -0.00510569 134 LEU   B C    
3776 O O    . LEU   B 122 ? 0.209125  0.234983  0.184153  -0.00266901 0.0679803   -0.0195623  134 LEU   B O    
3777 C CB   . LEU   B 122 ? 0.134509  0.194117  0.146529  -0.0238758  0.0625863   -0.0052944  134 LEU   B CB   
3778 C CG   . LEU   B 122 ? 0.189972  0.208079  0.163844  -0.0231157  0.0467083   -0.0217034  134 LEU   B CG   
3779 C CD1  . LEU   B 122 ? 0.203315  0.228225  0.170215  -0.0306033  0.0233515   -0.0263448  134 LEU   B CD1  
3780 C CD2  . LEU   B 122 ? 0.210455  0.223021  0.22127   -0.0204066  0.0247967   -0.0276626  134 LEU   B CD2  
3781 H H    . LEU   B 122 ? 0.151442  0.187739  0.160894  -0.011969   0.0577948   -0.00968721 134 LEU   B H    
3782 H HA   . LEU   B 122 ? 0.151667  0.191313  0.15797   -0.0150294  0.0545566   -0.00880119 134 LEU   B HA   
3783 H HB2  . LEU   B 122 ? 0.142533  0.19231   0.152126  -0.0173353  0.0535993   -0.00955608 134 LEU   B HB2  
3784 H HB3  . LEU   B 122 ? 0.148208  0.192781  0.14954   -0.0190293  0.0529022   -0.00953826 134 LEU   B HB3  
3785 H HG   . LEU   B 122 ? 0.184459  0.209024  0.171968  -0.0214031  0.0379878   -0.017178   134 LEU   B HG   
3786 H HD11 . LEU   B 122 ? 0.199062  0.22163   0.17285   -0.0248286  0.0285624   -0.0220376  134 LEU   B HD11 
3787 H HD12 . LEU   B 122 ? 0.199373  0.220291  0.172661  -0.0248683  0.0279011   -0.0217589  134 LEU   B HD12 
3788 H HD13 . LEU   B 122 ? 0.202413  0.220845  0.172851  -0.0252932  0.0273415   -0.0214781  134 LEU   B HD13 
3789 H HD21 . LEU   B 122 ? 0.205383  0.219831  0.213694  -0.018378   0.0279476   -0.0204324  134 LEU   B HD21 
3790 H HD22 . LEU   B 122 ? 0.208347  0.219574  0.205893  -0.0193428  0.0283241   -0.0214796  134 LEU   B HD22 
3791 H HD23 . LEU   B 122 ? 0.205803  0.22072   0.206252  -0.0180633  0.0290248   -0.0212505  134 LEU   B HD23 
3792 N N    . LEU   B 123 ? 0.192333  0.228575  0.183768  0.00533877  0.0623436   -0.00287515 135 LEU   B N    
3793 C CA   . LEU   B 123 ? 0.201551  0.265516  0.208746  0.0102979   0.0613343   0.00142252  135 LEU   B CA   
3794 C C    . LEU   B 123 ? 0.141461  0.315231  0.19318   -0.00152489 0.0753365   0.00082629  135 LEU   B C    
3795 O O    . LEU   B 123 ? 0.13438   0.324925  0.19102   0.0106494   0.0796499   -0.0176003  135 LEU   B O    
3796 C CB   . LEU   B 123 ? 0.237478  0.269669  0.212653  0.0299277   0.0581768   -0.0147178  135 LEU   B CB   
3797 C CG   . LEU   B 123 ? 0.284239  0.307226  0.249879  0.020049    0.052231    0.0152601   135 LEU   B CG   
3798 C CD1  . LEU   B 123 ? 0.309319  0.354035  0.277744  0.0100155   0.0418573   0.030959    135 LEU   B CD1  
3799 C CD2  . LEU   B 123 ? 0.317189  0.319651  0.293255  0.0521342   0.0553131   0.0146622   135 LEU   B CD2  
3800 H H    . LEU   B 123 ? 0.186333  0.222446  0.184404  0.00256968  0.0543667   -0.00233188 135 LEU   B H    
3801 H HA   . LEU   B 123 ? 0.197966  0.263975  0.206872  0.00916115  0.0564638   0.00026714  135 LEU   B HA   
3802 H HB2  . LEU   B 123 ? 0.234575  0.26913   0.215578  0.0200267   0.0512872   -0.00727232 135 LEU   B HB2  
3803 H HB3  . LEU   B 123 ? 0.232946  0.271255  0.220251  0.0212969   0.0516896   -0.00434984 135 LEU   B HB3  
3804 H HG   . LEU   B 123 ? 0.282056  0.304931  0.25478   0.021536    0.0473284   0.00978561  135 LEU   B HG   
3805 H HD11 . LEU   B 123 ? 0.302379  0.341786  0.278425  0.0114138   0.0395615   0.0269406   135 LEU   B HD11 
3806 H HD12 . LEU   B 123 ? 0.304144  0.34003   0.276067  0.0135947   0.0399043   0.0234009   135 LEU   B HD12 
3807 H HD13 . LEU   B 123 ? 0.306106  0.338987  0.275769  0.0108341   0.0408768   0.0234317   135 LEU   B HD13 
3808 H HD21 . LEU   B 123 ? 0.304378  0.317663  0.287405  0.0361487   0.0494158   0.0102028   135 LEU   B HD21 
3809 H HD22 . LEU   B 123 ? 0.306751  0.317521  0.28459   0.0361502   0.0482329   0.0116377   135 LEU   B HD22 
3810 H HD23 . LEU   B 123 ? 0.308356  0.320847  0.284201  0.039626    0.0479272   0.0113182   135 LEU   B HD23 
3811 N N    . ASP   B 124 ? 0.150919  0.280053  0.188775  -0.0103404  0.0408524   0.0287445   136 ASP   B N    
3812 C CA   . ASP   B 124 ? 0.139567  0.291179  0.195187  -0.00941626 0.0438367   0.0224195   136 ASP   B CA   
3813 C C    . ASP   B 124 ? 0.112051  0.262549  0.184706  -0.00880096 0.0391127   0.0344126   136 ASP   B C    
3814 O O    . ASP   B 124 ? 0.077129  0.280475  0.234416  -0.0167751  0.0419173   0.031535    136 ASP   B O    
3815 C CB   . ASP   B 124 ? 0.186007  0.310011  0.231808  0.00939519  0.0125282   -0.00048401 136 ASP   B CB   
3816 C CG   . ASP   B 124 ? 0.22187   0.339185  0.300757  -0.0077669  0.0186913   0.0172669   136 ASP   B CG   
3817 O OD1  . ASP   B 124 ? 0.243129  0.34428   0.308541  0.0310629   0.0255249   0.0352814   136 ASP   B OD1  
3818 O OD2  . ASP   B 124 ? 0.259493  0.427912  0.422732  -0.0182871  -0.00664171 0.0118433   136 ASP   B OD2  
3819 H H    . ASP   B 124 ? 0.158196  0.280804  0.196254  -0.00593164 0.0434905   0.0194053   136 ASP   B H    
3820 H HA   . ASP   B 124 ? 0.150974  0.278549  0.197681  -0.00468211 0.0364841   0.0216621   136 ASP   B HA   
3821 H HB2  . ASP   B 124 ? 0.186635  0.299014  0.235468  0.00227461  0.0220785   0.00846452  136 ASP   B HB2  
3822 H HB3  . ASP   B 124 ? 0.186687  0.301564  0.236126  0.00183694  0.0214838   0.00930081  136 ASP   B HB3  
3823 N N    . PHE   B 125 ? 0.103     0.292296  0.194153  -0.0114603  0.0801596   0.0353481   137 PHE   B N    
3824 C CA   . PHE   B 125 ? 0.0952969 0.275266  0.203508  -0.0321692  0.0517471   0.0173889   137 PHE   B CA   
3825 C C    . PHE   B 125 ? 0.0936038 0.317971  0.185729  -0.0607133  0.101788    0.0228395   137 PHE   B C    
3826 O O    . PHE   B 125 ? 0.108646  0.347057  0.226269  -0.039715   0.132752    0.0184514   137 PHE   B O    
3827 C CB   . PHE   B 125 ? 0.104124  0.303654  0.187735  -0.0209697  0.0535158   0.00519765  137 PHE   B CB   
3828 C CG   . PHE   B 125 ? 0.125552  0.308268  0.188301  -0.0259194  0.0485796   0.0222859   137 PHE   B CG   
3829 C CD1  . PHE   B 125 ? 0.149897  0.344273  0.18791   -0.050358   0.0616629   0.0145481   137 PHE   B CD1  
3830 C CD2  . PHE   B 125 ? 0.208986  0.326804  0.188384  -0.0236162  0.0481796   0.00954499  137 PHE   B CD2  
3831 C CE1  . PHE   B 125 ? 0.20524   0.342816  0.182724  -0.0550968  0.0455111   0.0118125   137 PHE   B CE1  
3832 C CE2  . PHE   B 125 ? 0.191642  0.332423  0.200354  -0.0206538  0.0625255   0.0241931   137 PHE   B CE2  
3833 C CZ   . PHE   B 125 ? 0.187766  0.343381  0.184768  -0.0334068  0.0614801   0.0290623   137 PHE   B CZ   
3834 H H    . PHE   B 125 ? 0.105382  0.274025  0.186769  -0.0120449  0.0696701   0.0296524   137 PHE   B H    
3835 H HA   . PHE   B 125 ? 0.112349  0.282834  0.203604  -0.0235659  0.0607378   0.0181397   137 PHE   B HA   
3836 H HB2  . PHE   B 125 ? 0.120518  0.284589  0.193791  -0.0180586  0.0496837   0.0106806   137 PHE   B HB2  
3837 H HB3  . PHE   B 125 ? 0.119515  0.286659  0.195153  -0.0192848  0.0495233   0.0126569   137 PHE   B HB3  
3838 H HD1  . PHE   B 125 ? 0.166646  0.322446  0.195073  -0.0364638  0.0515147   0.0159399   137 PHE   B HD1  
3839 H HD2  . PHE   B 125 ? 0.189477  0.313382  0.197239  -0.0199934  0.046845    0.0135812   137 PHE   B HD2  
3840 H HE1  . PHE   B 125 ? 0.194642  0.329451  0.190992  -0.041107   0.0479279   0.0124839   137 PHE   B HE1  
3841 H HE2  . PHE   B 125 ? 0.200126  0.323561  0.201776  -0.0199969  0.0542634   0.020563    137 PHE   B HE2  
3842 H HZ   . PHE   B 125 ? 0.198833  0.329885  0.191774  -0.0288455  0.05422     0.0240555   137 PHE   B HZ   
3843 N N    . LYS   B 126 ? 0.117915  0.327107  0.215736  -0.0528554  0.0584552   0.0146322   138 LYS   B N    
3844 C CA   . LYS   B 126 ? 0.158898  0.348757  0.268359  -0.0702825  0.0180549   -0.0138183  138 LYS   B CA   
3845 C C    . LYS   B 126 ? 0.132662  0.327349  0.319575  -0.0568232  0.0124217   0.0114191   138 LYS   B C    
3846 O O    . LYS   B 126 ? 0.141971  0.311049  0.359549  -0.0259119  0.0340815   -0.00941949 138 LYS   B O    
3847 C CB   . LYS   B 126 ? 0.189904  0.354338  0.342185  -0.0397712  -0.0168     -0.0395051  138 LYS   B CB   
3848 C CG   . LYS   B 126 ? 0.33926   0.392851  0.441941  -0.0614936  -0.038027   -0.0494935  138 LYS   B CG   
3849 H H    . LYS   B 126 ? 0.13289   0.318673  0.219225  -0.0473111  0.061033    0.0134776   138 LYS   B H    
3850 H HA   . LYS   B 126 ? 0.165968  0.334331  0.276946  -0.0486679  0.0235995   -0.00279308 138 LYS   B HA   
3851 H HB2  . LYS   B 126 ? 0.218072  0.352229  0.335214  -0.0434808  -0.00818157 -0.0284993  138 LYS   B HB2  
3852 H HB3  . LYS   B 126 ? 0.213717  0.350342  0.333174  -0.0462926  -0.00816989 -0.0290496  138 LYS   B HB3  
3853 H HG2  . LYS   B 126 ? 0.39072   0.39072   0.39072   0           0           0           138 LYS   B HG2  
3854 H HG3  . LYS   B 126 ? 0.39072   0.39072   0.39072   0           0           0           138 LYS   B HG3  
3855 N N    . GLY   B 127 ? 0.1755    0.395351  0.360653  -0.0769186  0.07741     0.0238339   139 GLY   B N    
3856 C CA   . GLY   B 127 ? 0.241334  0.401044  0.414984  -0.0575496  0.0579494   0.0127218   139 GLY   B CA   
3857 C C    . GLY   B 127 ? 0.377128  0.461288  0.442483  -0.0418683  0.00576676  -0.00466659 139 GLY   B C    
3858 O O    . GLY   B 127 ? 0.348408  0.495148  0.430552  -0.016956   -0.0680634  -0.101713   139 GLY   B O    
3859 H H    . GLY   B 127 ? 0.185307  0.369294  0.345794  -0.0542639  0.0593726   0.0179927   139 GLY   B H    
3860 H HA2  . GLY   B 127 ? 0.258084  0.401519  0.395706  -0.048666   0.0487659   0.0129446   139 GLY   B HA2  
3861 H HA3  . GLY   B 127 ? 0.260268  0.402124  0.397213  -0.0509153  0.0505694   0.0143631   139 GLY   B HA3  
3862 N N    . GLU   B 128 ? 0.540927  0.498148  0.528482  -0.0575809  0.00848964  -0.0470367  140 GLU   B N    
3863 C CA   . GLU   B 128 ? 0.672942  0.594724  0.577682  -0.074481   -0.00143372 0.0032414   140 GLU   B CA   
3864 C C    . GLU   B 128 ? 0.787235  0.579129  0.663441  -0.0870516  -0.106533   -0.00237014 140 GLU   B C    
3865 O O    . GLU   B 128 ? 1.00671   0.620708  0.802179  -0.185854   -0.0759365  0.0329514   140 GLU   B O    
3866 C CB   . GLU   B 128 ? 0.698963  0.640841  0.582868  -0.100947   0.0691775   -0.0147698  140 GLU   B CB   
3867 O OXT  . GLU   B 128 ? 0.842502  0.53763   0.655372  0.00168296  -0.134434   0.00466514  140 GLU   B OXT  
3868 H H    . GLU   B 128 ? 0.519065  0.508202  0.51172   -0.0549887  0.0123097   -0.0239179  140 GLU   B H    
3869 H HA   . GLU   B 128 ? 0.653137  0.5831    0.581902  -0.0666072  -0.00369342 -0.0107988  140 GLU   B HA   
3870 H HB2  . GLU   B 128 ? 0.645796  0.645796  0.645796  0           0           0           140 GLU   B HB2  
3871 H HB3  . GLU   B 128 ? 0.645796  0.645796  0.645796  0           0           0           140 GLU   B HB3  
3872 N N    . GLY   C 1   ? 0.268939  0.368409  0.591006  -0.0239127  -0.13784    0.0349614   13  GLY   C N    
3873 C CA   . GLY   C 1   ? 0.252442  0.318835  0.55098   -0.0340711  -0.129189   0.0746957   13  GLY   C CA   
3874 C C    . GLY   C 1   ? 0.266337  0.345398  0.503898  -0.0275668  -0.10953    0.0419392   13  GLY   C C    
3875 O O    . GLY   C 1   ? 0.357274  0.357009  0.438612  0.00352507  -0.141854   0.0267222   13  GLY   C O    
3876 H H1   . GLY   C 1   ? 0.289038  0.370305  0.560165  -0.0203292  -0.111919   0.0458476   13  GLY   C H1   
3877 H H2   . GLY   C 1   ? 0.289961  0.370917  0.563988  -0.0168449  -0.114211   0.0420122   13  GLY   C H2   
3878 H H3   . GLY   C 1   ? 0.288604  0.367175  0.555972  -0.019387   -0.112409   0.0443029   13  GLY   C H3   
3879 H HA2  . GLY   C 1   ? 0.277354  0.342179  0.52435   -0.0253095  -0.101416   0.0600373   13  GLY   C HA2  
3880 H HA3  . GLY   C 1   ? 0.278866  0.345342  0.524686  -0.0234206  -0.103775   0.0555938   13  GLY   C HA3  
3881 N N    . ALA   C 2   ? 0.255364  0.337191  0.446606  -0.046405   -0.0798535  0.0479603   14  ALA   C N    
3882 C CA   . ALA   C 2   ? 0.259156  0.3052    0.371019  -0.0503662  -0.0388002  0.083408    14  ALA   C CA   
3883 C C    . ALA   C 2   ? 0.261991  0.291463  0.327952  -0.0656352  -0.0664662  0.0516282   14  ALA   C C    
3884 O O    . ALA   C 2   ? 0.312672  0.279756  0.286367  -0.0407752  -0.0159768  0.0741222   14  ALA   C O    
3885 C CB   . ALA   C 2   ? 0.275749  0.312412  0.335509  -0.0576757  -0.0431862  0.0713362   14  ALA   C CB   
3886 H H    . ALA   C 2   ? 0.272226  0.332478  0.428362  -0.0373051  -0.0640169  0.0491882   14  ALA   C H    
3887 H HA   . ALA   C 2   ? 0.269148  0.310787  0.358874  -0.0460593  -0.0428416  0.0606499   14  ALA   C HA   
3888 H HB1  . ALA   C 2   ? 0.276328  0.310677  0.339594  -0.0478267  -0.0341783  0.0654286   14  ALA   C HB1  
3889 H HB2  . ALA   C 2   ? 0.276187  0.311121  0.336813  -0.0469013  -0.0333706  0.0641651   14  ALA   C HB2  
3890 H HB3  . ALA   C 2   ? 0.277128  0.312363  0.339704  -0.0484335  -0.0343063  0.0652545   14  ALA   C HB3  
3891 N N    . PRO   C 3   ? 0.261524  0.291359  0.365801  -0.0159558  -0.0447725  0.0333061   15  PRO   C N    
3892 C CA   . PRO   C 3   ? 0.230881  0.312828  0.388815  -0.0339442  -0.0649714  0.0441432   15  PRO   C CA   
3893 C C    . PRO   C 3   ? 0.285423  0.295224  0.400557  -0.0277785  -0.0852382  0.0416576   15  PRO   C C    
3894 O O    . PRO   C 3   ? 0.232054  0.303311  0.415031  -0.0275321  -0.0600859  0.0464157   15  PRO   C O    
3895 C CB   . PRO   C 3   ? 0.253617  0.328527  0.355198  -0.0166806  -0.0660684  0.0260016   15  PRO   C CB   
3896 C CG   . PRO   C 3   ? 0.22127   0.333892  0.361878  -0.00629501 -0.0366689  0.0424985   15  PRO   C CG   
3897 C CD   . PRO   C 3   ? 0.273815  0.336413  0.395744  0.00197464  -0.0506442  0.0397553   15  PRO   C CD   
3898 H HA   . PRO   C 3   ? 0.25871   0.31015   0.371288  -0.021177   -0.0541028  0.0348908   15  PRO   C HA   
3899 H HB2  . PRO   C 3   ? 0.254239  0.326576  0.358432  -0.0157236  -0.0489749  0.0302407   15  PRO   C HB2  
3900 H HB3  . PRO   C 3   ? 0.251786  0.327571  0.35914   -0.0149003  -0.0494029  0.0292397   15  PRO   C HB3  
3901 H HG2  . PRO   C 3   ? 0.246926  0.32972   0.357302  -0.00313502 -0.03711    0.0329976   15  PRO   C HG2  
3902 H HG3  . PRO   C 3   ? 0.244744  0.330558  0.357585  -0.0028258  -0.0403031  0.0354333   15  PRO   C HG3  
3903 H HD2  . PRO   C 3   ? 0.271205  0.328937  0.375696  -0.00321347 -0.0374996  0.0347411   15  PRO   C HD2  
3904 H HD3  . PRO   C 3   ? 0.276016  0.329455  0.374315  -0.00017198 -0.0370723  0.0361402   15  PRO   C HD3  
3905 N N    . ALA   C 4   ? 0.342867  0.357485  0.480676  -0.00353018 -0.108148   0.055567    16  ALA   C N    
3906 C CA   . ALA   C 4   ? 0.376329  0.351491  0.499633  -0.00215815 -0.143118   0.0735395   16  ALA   C CA   
3907 C C    . ALA   C 4   ? 0.348658  0.410283  0.483374  -0.0344234  -0.122863   0.0661057   16  ALA   C C    
3908 O O    . ALA   C 4   ? 0.259759  0.377643  0.561778  -0.0282806  -0.16736    0.0965578   16  ALA   C O    
3909 C CB   . ALA   C 4   ? 0.437564  0.332656  0.585897  -0.00741816 -0.125872   0.0526046   16  ALA   C CB   
3910 H H    . ALA   C 4   ? 0.340145  0.356105  0.452512  -0.00721198 -0.091503   0.0519412   16  ALA   C H    
3911 H HA   . ALA   C 4   ? 0.378671  0.369637  0.493505  -0.00629809 -0.10995    0.0575617   16  ALA   C HA   
3912 H HB1  . ALA   C 4   ? 0.425427  0.358398  0.546648  -0.00203184 -0.110227   0.0549944   16  ALA   C HB1  
3913 H HB2  . ALA   C 4   ? 0.425819  0.359281  0.546309  -0.00099045 -0.110247   0.0541621   16  ALA   C HB2  
3914 H HB3  . ALA   C 4   ? 0.427766  0.3586    0.548948  -0.00071926 -0.106809   0.0558472   16  ALA   C HB3  
3915 N N    . THR   C 5   ? 0.342676  0.386559  0.415207  -0.019819   -0.13059    0.0838214   17  THR   C N    
3916 C CA   . THR   C 5   ? 0.347706  0.372131  0.345997  -0.0257205  -0.0898159  0.0789402   17  THR   C CA   
3917 C C    . THR   C 5   ? 0.278476  0.378325  0.278812  -0.014926   -0.0671809  0.0663321   17  THR   C C    
3918 O O    . THR   C 5   ? 0.364749  0.410174  0.315041  -0.0137087  -0.0551466  0.0775988   17  THR   C O    
3919 C CB   . THR   C 5   ? 0.40992   0.400384  0.440557  -0.0431954  -0.0952633  0.0874996   17  THR   C CB   
3920 O OG1  . THR   C 5   ? 0.417558  0.432328  0.481896  -0.0623603  -0.160053   0.143651    17  THR   C OG1  
3921 C CG2  . THR   C 5   ? 0.419141  0.396653  0.442702  -0.0436061  -0.087907   0.0484786   17  THR   C CG2  
3922 H H    . THR   C 5   ? 0.350323  0.387861  0.409693  -0.0210244  -0.101906   0.0692291   17  THR   C H    
3923 H HA   . THR   C 5   ? 0.340678  0.377692  0.356811  -0.0225578  -0.0816629  0.0690194   17  THR   C HA   
3924 H HB   . THR   C 5   ? 0.404285  0.402153  0.432522  -0.0373446  -0.0850617  0.0789544   17  THR   C HB   
3925 H HG1  . THR   C 5   ? 0.441254  0.441254  0.441254  0           0           0           17  THR   C HG1  
3926 H HG21 . THR   C 5   ? 0.41659   0.402448  0.438612  -0.0379794  -0.077013   0.0526905   17  THR   C HG21 
3927 H HG22 . THR   C 5   ? 0.41623   0.402185  0.438708  -0.0384209  -0.076616   0.0527816   17  THR   C HG22 
3928 H HG23 . THR   C 5   ? 0.414633  0.404351  0.436521  -0.0383319  -0.0764408  0.0527362   17  THR   C HG23 
3929 N N    . VAL   C 6   ? 0.189898  0.31137   0.285273  0.0150667   -0.0660131  0.0559575   18  VAL   C N    
3930 C CA   . VAL   C 6   ? 0.198286  0.29024   0.269923  0.00030993  -0.0584769  0.0390925   18  VAL   C CA   
3931 C C    . VAL   C 6   ? 0.192794  0.306389  0.302215  -0.0218898  -0.0923757  0.0262732   18  VAL   C C    
3932 O O    . VAL   C 6   ? 0.202011  0.322222  0.369324  -0.0225969  -0.112093   0.0105631   18  VAL   C O    
3933 C CB   . VAL   C 6   ? 0.256019  0.307562  0.284142  0.00824892  -0.0894911  0.0173563   18  VAL   C CB   
3934 C CG1  . VAL   C 6   ? 0.268681  0.325724  0.274515  0.0007487   -0.109651   0.00723578  18  VAL   C CG1  
3935 C CG2  . VAL   C 6   ? 0.270382  0.312815  0.286613  0.0164264   -0.0647471  0.0250613   18  VAL   C CG2  
3936 H H    . VAL   C 6   ? 0.217423  0.311979  0.27803   0.00497073  -0.0551995  0.0466159   18  VAL   C H    
3937 H HA   . VAL   C 6   ? 0.208972  0.295602  0.274748  0.00307251  -0.0567102  0.0304445   18  VAL   C HA   
3938 H HB   . VAL   C 6   ? 0.254505  0.305869  0.281477  0.00530697  -0.0717033  0.0191675   18  VAL   C HB   
3939 H HG11 . VAL   C 6   ? 0.269093  0.317003  0.277633  0.0025828   -0.0899231  0.00907615  18  VAL   C HG11 
3940 H HG12 . VAL   C 6   ? 0.26918   0.317052  0.277224  0.00305133  -0.0893379  0.00864103  18  VAL   C HG12 
3941 H HG13 . VAL   C 6   ? 0.267679  0.316785  0.272723  0.00290834  -0.0915139  0.00892956  18  VAL   C HG13 
3942 H HG21 . VAL   C 6   ? 0.268632  0.308573  0.287233  0.0121616   -0.0598605  0.0193075   18  VAL   C HG21 
3943 H HG22 . VAL   C 6   ? 0.268322  0.309088  0.286104  0.0119384   -0.060828   0.0198723   18  VAL   C HG22 
3944 H HG23 . VAL   C 6   ? 0.26799   0.308766  0.285341  0.0126401   -0.060288   0.019075    18  VAL   C HG23 
3945 N N    . THR   C 7   ? 0.242587  0.331371  0.35666   -0.0260856  -0.0902066  0.0121709   19  THR   C N    
3946 C CA   . THR   C 7   ? 0.20619   0.383849  0.378065  -0.0104568  -0.0833781  0.010128    19  THR   C CA   
3947 C C    . THR   C 7   ? 0.236122  0.406122  0.40531   -0.0290356  -0.09947    -0.00079148 19  THR   C C    
3948 O O    . THR   C 7   ? 0.187344  0.444607  0.397507  -0.0334135  -0.0804985  -0.0121587  19  THR   C O    
3949 C CB   . THR   C 7   ? 0.17486   0.43936   0.419009  -0.00953129 -0.0730126  0.00753602  19  THR   C CB   
3950 O OG1  . THR   C 7   ? 0.198808  0.448067  0.403187  0.00549138  -0.0350326  -0.0148587  19  THR   C OG1  
3951 C CG2  . THR   C 7   ? 0.166412  0.468383  0.463667  0.00870974  -0.129573   0.0131346   19  THR   C CG2  
3952 H H    . THR   C 7   ? 0.232279  0.330944  0.340565  -0.0170124  -0.0756638  0.0140926   19  THR   C H    
3953 H HA   . THR   C 7   ? 0.229306  0.378411  0.377929  -0.0117647  -0.0716873  0.0104935   19  THR   C HA   
3954 H HB   . THR   C 7   ? 0.208025  0.427567  0.410605  0.00099157  -0.0630297  0.00833005  19  THR   C HB   
3955 H HG1  . THR   C 7   ? 0.349685  0.349685  0.349685  0           0           0           19  THR   C HG1  
3956 H HG21 . THR   C 7   ? 0.201793  0.455404  0.444508  0.00662743  -0.0923144  0.015776    19  THR   C HG21 
3957 H HG22 . THR   C 7   ? 0.200182  0.455791  0.44475   0.00806342  -0.0916081  0.0142482   19  THR   C HG22 
3958 H HG23 . THR   C 7   ? 0.200186  0.454068  0.443218  0.00781037  -0.0914752  0.0149276   19  THR   C HG23 
3959 N N    . GLU   C 8   ? 0.371938  0.436363  0.342718  -0.0661521  -0.132763   -0.0138207  20  GLU   C N    
3960 C CA   . GLU   C 8   ? 0.436233  0.454888  0.374024  -0.0354638  -0.0796971  0.00504041  20  GLU   C CA   
3961 C C    . GLU   C 8   ? 0.437205  0.464085  0.377363  0.0042851   -0.0945687  -0.0659958  20  GLU   C C    
3962 O O    . GLU   C 8   ? 0.452583  0.490741  0.361683  0.00567828  -0.179098   -0.0456774  20  GLU   C O    
3963 C CB   . GLU   C 8   ? 0.52931   0.396937  0.355684  -0.0126989  -0.0150477  0.0424884   20  GLU   C CB   
3964 H H    . GLU   C 8   ? 0.349721  0.419267  0.366768  -0.0449291  -0.0970895  -0.00655593 20  GLU   C H    
3965 H HA   . GLU   C 8   ? 0.430678  0.4419    0.371556  -0.0255425  -0.0706755  -0.00388672 20  GLU   C HA   
3966 H HB2  . GLU   C 8   ? 0.427449  0.427449  0.427449  0           0           0           20  GLU   C HB2  
3967 H HB3  . GLU   C 8   ? 0.427449  0.427449  0.427449  0           0           0           20  GLU   C HB3  
3968 N N    . GLN   C 9   ? 0.394762  0.506165  0.358825  0.0215058   -0.156139   -0.0263434  21  GLN   C N    
3969 C CA   . GLN   C 9   ? 0.428431  0.542728  0.362812  0.0190642   -0.0956115  0.0273358   21  GLN   C CA   
3970 C C    . GLN   C 9   ? 0.385999  0.416896  0.276297  0.00809203  -0.0713502  0.00859856  21  GLN   C C    
3971 O O    . GLN   C 9   ? 0.395367  0.492073  0.276331  0.00299152  -0.0361243  -0.0234171  21  GLN   C O    
3972 C CB   . GLN   C 9   ? 0.535864  0.597837  0.453417  -0.00895573 -0.0619093  0.0798922   21  GLN   C CB   
3973 C CG   . GLN   C 9   ? 0.577839  0.650341  0.484448  -0.0473452  -0.0688399  0.104748    21  GLN   C CG   
3974 C CD   . GLN   C 9   ? 0.689602  0.79323   0.491413  -0.0369382  -0.0529618  0.148942    21  GLN   C CD   
3975 O OE1  . GLN   C 9   ? 0.743954  0.937617  0.301765  -0.0868404  -0.115776   0.119348    21  GLN   C OE1  
3976 N NE2  . GLN   C 9   ? 0.749661  0.863417  0.580139  -0.114866   0.0461338   0.176508    21  GLN   C NE2  
3977 H H    . GLN   C 9   ? 0.410815  0.485485  0.365098  0.0127615   -0.110699   -0.024365   21  GLN   C H    
3978 H HA   . GLN   C 9   ? 0.43029   0.509627  0.368513  0.0165659   -0.0790132  0.0223582   21  GLN   C HA   
3979 H HB2  . GLN   C 9   ? 0.517248  0.58578   0.445747  -0.0101961  -0.0616898  0.0620603   21  GLN   C HB2  
3980 H HB3  . GLN   C 9   ? 0.521511  0.588007  0.449797  -0.0108373  -0.0554046  0.0592827   21  GLN   C HB3  
3981 H HG2  . GLN   C 9   ? 0.580503  0.647968  0.487541  -0.0302691  -0.0544435  0.0928121   21  GLN   C HG2  
3982 H HG3  . GLN   C 9   ? 0.579623  0.647713  0.487142  -0.0292448  -0.0525423  0.0927979   21  GLN   C HG3  
3983 H HE21 . GLN   C 9   ? 0.727415  0.822703  0.569622  -0.0797023  0.0234357   0.148932    21  GLN   C HE21 
3984 H HE22 . GLN   C 9   ? 0.733667  0.826598  0.590016  -0.0809525  0.0288725   0.133802    21  GLN   C HE22 
3985 N N    . GLY   C 10  ? 0.322381  0.389788  0.246083  0.0033467   -0.0899744  -0.012364   22  GLY   C N    
3986 C CA   . GLY   C 10  ? 0.310056  0.380868  0.225534  0.00999325  -0.0770406  -0.0284152  22  GLY   C CA   
3987 C C    . GLY   C 10  ? 0.312312  0.368882  0.245583  -0.00911283 -0.088217   -0.0442296  22  GLY   C C    
3988 O O    . GLY   C 10  ? 0.323267  0.347893  0.321521  -0.00548958 -0.0596788  -0.0426614  22  GLY   C O    
3989 H H    . GLY   C 10  ? 0.329945  0.386074  0.259067  0.0062812   -0.0698499  -0.00927977 22  GLY   C H    
3990 H HA2  . GLY   C 10  ? 0.310851  0.371936  0.244733  0.00374739  -0.0678537  -0.0236851  22  GLY   C HA2  
3991 H HA3  . GLY   C 10  ? 0.31131   0.371602  0.239052  0.00447925  -0.0676888  -0.0248885  22  GLY   C HA3  
3992 N N    . GLU   C 11  ? 0.327954  0.374249  0.252979  -0.0199341  -0.0836786  -0.0928542  23  GLU   C N    
3993 C CA   . GLU   C 11  ? 0.307922  0.40149   0.238017  -0.0118885  -0.0700771  -0.0789128  23  GLU   C CA   
3994 C C    . GLU   C 11  ? 0.239421  0.339582  0.238804  -0.00945134 -0.0331603  -0.102102   23  GLU   C C    
3995 O O    . GLU   C 11  ? 0.276417  0.324333  0.24784   -0.0419818  -0.0147263  -0.11839    23  GLU   C O    
3996 C CB   . GLU   C 11  ? 0.28776   0.449258  0.323425  0.0230688   -0.0714595  -0.094446   23  GLU   C CB   
3997 C CG   . GLU   C 11  ? 0.450467  0.519472  0.461493  0.0142937   -0.0459989  -0.112871   23  GLU   C CG   
3998 C CD   . GLU   C 11  ? 0.505472  0.669476  0.611547  0.0622065   0.0204404   -0.11955    23  GLU   C CD   
3999 O OE1  . GLU   C 11  ? 0.663809  0.645589  0.768601  -0.011933   0.104229    -0.188748   23  GLU   C OE1  
4000 O OE2  . GLU   C 11  ? 0.654736  0.782855  0.661752  0.186651    0.0329575   -0.0938653  23  GLU   C OE2  
4001 H H    . GLU   C 11  ? 0.317794  0.372747  0.258798  -0.0125348  -0.0689005  -0.065722   23  GLU   C H    
4002 H HA   . GLU   C 11  ? 0.293992  0.378515  0.259741  -0.00645883 -0.0575174  -0.0768974  23  GLU   C HA   
4003 H HB2  . GLU   C 11  ? 0.321822  0.434694  0.325595  0.0115536   -0.0568777  -0.0814169  23  GLU   C HB2  
4004 H HB3  . GLU   C 11  ? 0.31915   0.43202   0.320872  0.00902845  -0.0593556  -0.0828566  23  GLU   C HB3  
4005 H HG2  . GLU   C 11  ? 0.411299  0.511909  0.447767  0.0243411   -0.0374698  -0.0977144  23  GLU   C HG2  
4006 H HG3  . GLU   C 11  ? 0.413376  0.512697  0.445606  0.0246549   -0.0328319  -0.0922663  23  GLU   C HG3  
4007 N N    . ASP   C 12  ? 0.268454  0.313061  0.245927  -0.00240679 -0.0406346  -0.0721328  24  ASP   C N    
4008 C CA   . ASP   C 12  ? 0.29461   0.275635  0.29558   -0.0156372  -0.0798259  -0.0674374  24  ASP   C CA   
4009 C C    . ASP   C 12  ? 0.29194   0.265465  0.301151  -0.0202355  -0.0868509  -0.0698812  24  ASP   C C    
4010 O O    . ASP   C 12  ? 0.29127   0.332769  0.307222  -0.00938795 -0.0434667  -0.0807529  24  ASP   C O    
4011 C CB   . ASP   C 12  ? 0.260653  0.270216  0.299252  0.0101589   -0.0839891  -0.0791524  24  ASP   C CB   
4012 C CG   . ASP   C 12  ? 0.264268  0.286649  0.355933  -0.0148889  -0.106101   -0.0778492  24  ASP   C CG   
4013 O OD1  . ASP   C 12  ? 0.284541  0.306745  0.338957  -0.0296754  -0.107764   -0.0515402  24  ASP   C OD1  
4014 O OD2  . ASP   C 12  ? 0.28829   0.275725  0.470154  -0.0130697  -0.136748   -0.0599528  24  ASP   C OD2  
4015 H H    . ASP   C 12  ? 0.268085  0.308     0.257703  -0.00553605 -0.0406854  -0.0680258  24  ASP   C H    
4016 H HA   . ASP   C 12  ? 0.282323  0.283465  0.289495  -0.00839345 -0.0632904  -0.0595019  24  ASP   C HA   
4017 H HB2  . ASP   C 12  ? 0.265595  0.27191   0.304621  0.00332704  -0.0768039  -0.0655712  24  ASP   C HB2  
4018 H HB3  . ASP   C 12  ? 0.269046  0.27208   0.300577  0.00068863  -0.0749698  -0.0697571  24  ASP   C HB3  
4019 N N    . ILE   C 13  ? 0.29239   0.229988  0.303928  -0.00761067 -0.0851707  -0.0722808  25  ILE   C N    
4020 C CA   . ILE   C 13  ? 0.257258  0.266333  0.287474  0.00958849  -0.0739276  -0.0713366  25  ILE   C CA   
4021 C C    . ILE   C 13  ? 0.247183  0.260693  0.381601  -0.0165362  -0.0666249  -0.0380746  25  ILE   C C    
4022 O O    . ILE   C 13  ? 0.295745  0.230995  0.384824  0.00359708  -0.0326173  -0.026692   25  ILE   C O    
4023 C CB   . ILE   C 13  ? 0.22713   0.252672  0.290072  0.0234291   -0.0642209  -0.0528798  25  ILE   C CB   
4024 C CG1  . ILE   C 13  ? 0.202069  0.270276  0.272565  0.0162603   -0.055256   -0.0764847  25  ILE   C CG1  
4025 C CG2  . ILE   C 13  ? 0.265012  0.282063  0.318094  0.0221752   -0.0623809  -0.0349093  25  ILE   C CG2  
4026 C CD1  . ILE   C 13  ? 0.224198  0.281663  0.307399  0.00819968  -0.0346603  -0.0585217  25  ILE   C CD1  
4027 H H    . ILE   C 13  ? 0.281184  0.249471  0.294521  -0.00408051 -0.069671   -0.0632439  25  ILE   C H    
4028 H HA   . ILE   C 13  ? 0.258086  0.256537  0.294912  0.00547119  -0.0602336  -0.0574608  25  ILE   C HA   
4029 H HB   . ILE   C 13  ? 0.231801  0.261028  0.285646  0.0202455   -0.0557596  -0.0483698  25  ILE   C HB   
4030 H HG12 . ILE   C 13  ? 0.216715  0.266056  0.278827  0.0150318   -0.0450719  -0.0573209  25  ILE   C HG12 
4031 H HG13 . ILE   C 13  ? 0.216878  0.266759  0.278523  0.0141441   -0.0442825  -0.0570179  25  ILE   C HG13 
4032 H HG21 . ILE   C 13  ? 0.260886  0.278681  0.3071    0.0216176   -0.0522988  -0.0334887  25  ILE   C HG21 
4033 H HG22 . ILE   C 13  ? 0.260465  0.27789   0.307261  0.018055    -0.0525406  -0.0346028  25  ILE   C HG22 
4034 H HG23 . ILE   C 13  ? 0.258657  0.279361  0.309835  0.0186553   -0.0543592  -0.0312051  25  ILE   C HG23 
4035 H HD11 . ILE   C 13  ? 0.226581  0.280006  0.292147  0.00668241  -0.0330701  -0.0542605  25  ILE   C HD11 
4036 H HD12 . ILE   C 13  ? 0.225162  0.280373  0.295226  0.00794478  -0.035005   -0.0519715  25  ILE   C HD12 
4037 H HD13 . ILE   C 13  ? 0.224876  0.278652  0.292419  0.0086307   -0.033959   -0.0534598  25  ILE   C HD13 
4038 N N    . THR   C 14  ? 0.238333  0.27505   0.347233  0.0051149   -0.0694156  -0.0544332  26  THR   C N    
4039 C CA   . THR   C 14  ? 0.252035  0.255402  0.353826  -0.00562524 -0.0692268  -0.0643898  26  THR   C CA   
4040 C C    . THR   C 14  ? 0.324129  0.275524  0.411944  -0.00037879 -0.0608024  -0.0752471  26  THR   C C    
4041 O O    . THR   C 14  ? 0.301157  0.359942  0.441037  -0.0219582  0.0158341   -0.10348    26  THR   C O    
4042 C CB   . THR   C 14  ? 0.231764  0.249132  0.360641  0.00367297  -0.0679421  -0.0584564  26  THR   C CB   
4043 O OG1  . THR   C 14  ? 0.27072   0.275129  0.383323  -0.0367082  -0.0657592  -0.0923465  26  THR   C OG1  
4044 C CG2  . THR   C 14  ? 0.152835  0.236857  0.357636  -2.125e-05  -0.0861676  -0.0592659  26  THR   C CG2  
4045 H H    . THR   C 14  ? 0.246453  0.26922   0.346598  0.00114986  -0.0599161  -0.0442148  26  THR   C H    
4046 H HA   . THR   C 14  ? 0.258071  0.26663   0.350645  -4.977e-05  -0.0608841  -0.0534488  26  THR   C HA   
4047 H HB   . THR   C 14  ? 0.232745  0.255981  0.351565  -0.00440644 -0.0592631  -0.0527877  26  THR   C HB   
4048 H HG1  . THR   C 14  ? 0.310676  0.310676  0.310676  0           0           0           26  THR   C HG1  
4049 H HG21 . THR   C 14  ? 0.178661  0.244321  0.342275  0.00387407  -0.0649907  -0.0478212  26  THR   C HG21 
4050 H HG22 . THR   C 14  ? 0.183569  0.243688  0.341682  0.00300771  -0.0669072  -0.0466392  26  THR   C HG22 
4051 H HG23 . THR   C 14  ? 0.178406  0.244429  0.336466  0.00305899  -0.0722919  -0.0481366  26  THR   C HG23 
4052 N N    . SER   C 15  ? 0.379016  0.263271  0.469034  -0.0160747  -0.0887168  -0.0839709  27  SER   C N    
4053 C CA   . SER   C 15  ? 0.391719  0.243739  0.483861  -0.0413999  -0.0839734  -0.0955335  27  SER   C CA   
4054 C C    . SER   C 15  ? 0.460166  0.285312  0.501186  -0.0502743  -0.115995   -0.11085    27  SER   C C    
4055 O O    . SER   C 15  ? 0.594595  0.311149  0.46723   -0.0693584  -0.126998   -0.103377   27  SER   C O    
4056 C CB   . SER   C 15  ? 0.4301    0.292146  0.524983  -0.0367769  -0.0901166  -0.105377   27  SER   C CB   
4057 O OG   . SER   C 15  ? 0.514382  0.279776  0.56481   0.00515386  -0.0793663  -0.102674   27  SER   C OG   
4058 H H    . SER   C 15  ? 0.367659  0.280851  0.447818  -0.012469   -0.0663619  -0.0697555  27  SER   C H    
4059 H HA   . SER   C 15  ? 0.401686  0.282937  0.4712    -0.0280463  -0.070825   -0.0814575  27  SER   C HA   
4060 H HB2  . SER   C 15  ? 0.436208  0.300812  0.508856  -0.0213539  -0.0696316  -0.0846322  27  SER   C HB2  
4061 H HB3  . SER   C 15  ? 0.435467  0.300364  0.507516  -0.021088   -0.0691329  -0.0842193  27  SER   C HB3  
4062 H HG   . SER   C 15  ? 0.450626  0.450626  0.450626  0           0           0           27  SER   C HG   
4063 N N    . LYS   C 16  ? 0.413089  0.247785  0.531676  -0.0798213  -0.123576   -0.113663   28  LYS   C N    
4064 C CA   . LYS   C 16  ? 0.408774  0.330365  0.547092  -0.0903693  -0.121564   -0.0472818  28  LYS   C CA   
4065 C C    . LYS   C 16  ? 0.403385  0.316546  0.521355  -0.0921902  -0.0972878  -0.037116   28  LYS   C C    
4066 O O    . LYS   C 16  ? 0.422726  0.335976  0.570615  -0.0852845  -0.110661   -0.0871026  28  LYS   C O    
4067 C CB   . LYS   C 16  ? 0.495323  0.402226  0.555085  -0.0868609  -0.121964   0.00960734  28  LYS   C CB   
4068 C CG   . LYS   C 16  ? 0.554635  0.483569  0.6079    -0.0906283  -0.172196   0.0548597   28  LYS   C CG   
4069 C CD   . LYS   C 16  ? 0.645523  0.574983  0.690322  -0.115293   -0.157562   0.113822    28  LYS   C CD   
4070 C CE   . LYS   C 16  ? 0.719488  0.746659  0.748992  -0.0964602  -0.182816   0.140427    28  LYS   C CE   
4071 N NZ   . LYS   C 16  ? 0.802584  0.805821  0.77592   -0.105894   -0.216339   0.147586    28  LYS   C NZ   
4072 H H    . LYS   C 16  ? 0.419115  0.286061  0.49465   -0.0656588  -0.106146   -0.0938156  28  LYS   C H    
4073 H HA   . LYS   C 16  ? 0.42379   0.340335  0.527272  -0.0723476  -0.0986436  -0.0410045  28  LYS   C HA   
4074 H HB2  . LYS   C 16  ? 0.482244  0.413105  0.553509  -0.0731819  -0.111783   0.00518467  28  LYS   C HB2  
4075 H HB3  . LYS   C 16  ? 0.488415  0.412321  0.554732  -0.0738638  -0.110857   0.00559142  28  LYS   C HB3  
4076 H HG2  . LYS   C 16  ? 0.550675  0.491108  0.600153  -0.0791901  -0.13395    0.0491854   28  LYS   C HG2  
4077 H HG3  . LYS   C 16  ? 0.545912  0.489824  0.599353  -0.0801027  -0.135164   0.0479565   28  LYS   C HG3  
4078 H HD2  . LYS   C 16  ? 0.632472  0.587356  0.671766  -0.089002   -0.141536   0.0904551   28  LYS   C HD2  
4079 H HD3  . LYS   C 16  ? 0.637769  0.586802  0.672024  -0.0883089  -0.138537   0.090275    28  LYS   C HD3  
4080 H HE2  . LYS   C 16  ? 0.716846  0.719232  0.738411  -0.0873376  -0.155787   0.117581    28  LYS   C HE2  
4081 H HE3  . LYS   C 16  ? 0.717351  0.733371  0.739111  -0.0845968  -0.155525   0.1205      28  LYS   C HE3  
4082 H HZ1  . LYS   C 16  ? 0.776434  0.797255  0.773043  -0.0864509  -0.174692   0.127076    28  LYS   C HZ1  
4083 H HZ2  . LYS   C 16  ? 0.777546  0.787621  0.773223  -0.0897757  -0.177862   0.126227    28  LYS   C HZ2  
4084 H HZ3  . LYS   C 16  ? 0.776156  0.791528  0.774612  -0.0877914  -0.175099   0.12413     28  LYS   C HZ3  
4085 N N    . LYS   C 17  ? 0.41199   0.269608  0.461863  -0.0791709  -0.0914998  -0.0877013  29  LYS   C N    
4086 C CA   . LYS   C 17  ? 0.377654  0.263609  0.40679   -0.0724899  -0.108135   -0.0876674  29  LYS   C CA   
4087 C C    . LYS   C 17  ? 0.320635  0.279791  0.390041  -0.124319   -0.153965   -0.100512   29  LYS   C C    
4088 O O    . LYS   C 17  ? 0.38499   0.383254  0.49403   -0.124456   -0.199969   -0.109767   29  LYS   C O    
4089 C CB   . LYS   C 17  ? 0.354369  0.352042  0.399777  -0.0672337  -0.117258   -0.0814748  29  LYS   C CB   
4090 C CG   . LYS   C 17  ? 0.372959  0.386734  0.37576   -0.0642268  -0.0665713  -0.0819238  29  LYS   C CG   
4091 C CD   . LYS   C 17  ? 0.37993   0.376947  0.373139  -0.0986848  -0.0904221  -0.0937618  29  LYS   C CD   
4092 H H    . LYS   C 17  ? 0.401154  0.293972  0.451832  -0.0660269  -0.0813614  -0.0646249  29  LYS   C H    
4093 H HA   . LYS   C 17  ? 0.362819  0.292484  0.403314  -0.070728   -0.0993365  -0.0756216  29  LYS   C HA   
4094 H HB2  . LYS   C 17  ? 0.366129  0.343797  0.393563  -0.0562458  -0.0905564  -0.071972   29  LYS   C HB2  
4095 H HB3  . LYS   C 17  ? 0.364682  0.341088  0.39231   -0.0575475  -0.0912124  -0.0708832  29  LYS   C HB3  
4096 H HG2  . LYS   C 17  ? 0.372596  0.376744  0.382085  -0.0633233  -0.0710153  -0.0744942  29  LYS   C HG2  
4097 H HG3  . LYS   C 17  ? 0.372065  0.37702   0.382179  -0.0625819  -0.0716868  -0.0723777  29  LYS   C HG3  
4098 H HD2  . LYS   C 17  ? 0.375648  0.375648  0.375648  0           0           0           29  LYS   C HD2  
4099 H HD3  . LYS   C 17  ? 0.375648  0.375648  0.375648  0           0           0           29  LYS   C HD3  
4100 N N    . ASP   C 18  ? 0.313793  0.335077  0.350884  -0.0613551  -0.130734   -0.0424556  30  ASP   C N    
4101 C CA   . ASP   C 18  ? 0.322855  0.286138  0.319344  -0.0542152  -0.102405   -0.0344056  30  ASP   C CA   
4102 C C    . ASP   C 18  ? 0.290631  0.288072  0.324619  -0.0851065  -0.0748228  -0.0449744  30  ASP   C C    
4103 O O    . ASP   C 18  ? 0.253218  0.276959  0.346614  -0.0625286  -0.0501169  -0.0255842  30  ASP   C O    
4104 C CB   . ASP   C 18  ? 0.313066  0.283118  0.329472  -0.0611096  -0.103072   -0.00522592 30  ASP   C CB   
4105 C CG   . ASP   C 18  ? 0.267604  0.305185  0.346714  -0.0913893  -0.075916   0.0148229   30  ASP   C CG   
4106 O OD1  . ASP   C 18  ? 0.290356  0.251005  0.33229   -0.0604794  -0.0391571  -0.00901039 30  ASP   C OD1  
4107 O OD2  . ASP   C 18  ? 0.343059  0.286002  0.375519  -0.0725913  -0.0905657  0.017854    30  ASP   C OD2  
4108 H H    . ASP   C 18  ? 0.315254  0.312112  0.350231  -0.0651058  -0.113329   -0.0464212  30  ASP   C H    
4109 H HA   . ASP   C 18  ? 0.313277  0.297525  0.326671  -0.0544693  -0.0885169  -0.0279903  30  ASP   C HA   
4110 H HB2  . ASP   C 18  ? 0.305688  0.291365  0.328317  -0.0575602  -0.0835594  -0.00592251 30  ASP   C HB2  
4111 H HB3  . ASP   C 18  ? 0.30537   0.289266  0.328129  -0.0575968  -0.0835728  -0.00603105 30  ASP   C HB3  
4112 N N    . ARG   C 19  ? 0.283274  0.271837  0.260374  -0.0707045  -0.078569   -0.0411761  31  ARG   C N    
4113 C CA   . ARG   C 19  ? 0.26886   0.264948  0.273085  -0.0553728  -0.0740905  -0.0209275  31  ARG   C CA   
4114 C C    . ARG   C 19  ? 0.245449  0.229107  0.277412  -0.0434311  -0.0776528  -0.0199109  31  ARG   C C    
4115 O O    . ARG   C 19  ? 0.22756   0.221077  0.306249  -0.0496181  -0.0482214  -0.0325216  31  ARG   C O    
4116 C CB   . ARG   C 19  ? 0.255044  0.267826  0.304692  -0.0510928  -0.0847698  -0.0211412  31  ARG   C CB   
4117 C CG   . ARG   C 19  ? 0.263037  0.327875  0.318678  -0.0479173  -0.108099   -0.0284835  31  ARG   C CG   
4118 C CD   . ARG   C 19  ? 0.229107  0.366644  0.398535  -0.0492832  -0.11246    -0.0342292  31  ARG   C CD   
4119 N NE   . ARG   C 19  ? 0.218006  0.39124   0.358097  -0.0253741  -0.0959694  -0.0516153  31  ARG   C NE   
4120 C CZ   . ARG   C 19  ? 0.237159  0.375449  0.343476  -0.038282   -0.0886082  -0.0569466  31  ARG   C CZ   
4121 N NH1  . ARG   C 19  ? 0.209106  0.386794  0.325616  -0.0202291  -0.0950425  -0.0795952  31  ARG   C NH1  
4122 N NH2  . ARG   C 19  ? 0.252541  0.40965   0.345346  -0.0181355  -0.0784306  -0.0528938  31  ARG   C NH2  
4123 H H    . ARG   C 19  ? 0.27875   0.273526  0.27687   -0.0593603  -0.0655347  -0.0342058  31  ARG   C H    
4124 H HA   . ARG   C 19  ? 0.263004  0.262417  0.2755    -0.048193   -0.065588   -0.0215166  31  ARG   C HA   
4125 H HB2  . ARG   C 19  ? 0.259369  0.278746  0.296698  -0.0455118  -0.073611   -0.0196332  31  ARG   C HB2  
4126 H HB3  . ARG   C 19  ? 0.260402  0.274163  0.296869  -0.0448933  -0.0744528  -0.0203651  31  ARG   C HB3  
4127 H HG2  . ARG   C 19  ? 0.262609  0.320583  0.328366  -0.0409935  -0.089695   -0.0248368  31  ARG   C HG2  
4128 H HG3  . ARG   C 19  ? 0.260763  0.3224    0.3275    -0.0420643  -0.0886559  -0.0239639  31  ARG   C HG3  
4129 H HD2  . ARG   C 19  ? 0.247537  0.361799  0.37635   -0.0360552  -0.0908507  -0.0283099  31  ARG   C HD2  
4130 H HD3  . ARG   C 19  ? 0.247992  0.360777  0.367631  -0.0362494  -0.090768   -0.0305595  31  ARG   C HD3  
4131 H HE   . ARG   C 19  ? 0.236623  0.375783  0.357209  -0.0261016  -0.0792165  -0.04288    31  ARG   C HE   
4132 H HH11 . ARG   C 19  ? 0.230612  0.373354  0.330293  -0.0203844  -0.0782589  -0.0610559  31  ARG   C HH11 
4133 H HH12 . ARG   C 19  ? 0.230742  0.375906  0.330128  -0.0195964  -0.0780904  -0.061982   31  ARG   C HH12 
4134 H HH21 . ARG   C 19  ? 0.258933  0.39207   0.344765  -0.0191771  -0.0679676  -0.0467129  31  ARG   C HH21 
4135 H HH22 . ARG   C 19  ? 0.259747  0.392994  0.345375  -0.0185502  -0.0690123  -0.0475456  31  ARG   C HH22 
4136 N N    . GLY   C 20  ? 0.281507  0.223667  0.282122  -0.0416707  -0.0898947  -0.0321016  32  GLY   C N    
4137 C CA   . GLY   C 20  ? 0.262417  0.236988  0.278442  -0.0425541  -0.0753751  -0.0234132  32  GLY   C CA   
4138 C C    . GLY   C 20  ? 0.201193  0.239657  0.248827  -0.0258269  -0.0798238  -0.0301393  32  GLY   C C    
4139 O O    . GLY   C 20  ? 0.191056  0.231601  0.274005  -0.0335656  -0.0536964  -0.0290693  32  GLY   C O    
4140 H H    . GLY   C 20  ? 0.266724  0.231483  0.278145  -0.0363825  -0.0712121  -0.0240594  32  GLY   C H    
4141 H HA2  . GLY   C 20  ? 0.253643  0.240304  0.271419  -0.0351086  -0.0690098  -0.0228751  32  GLY   C HA2  
4142 H HA3  . GLY   C 20  ? 0.251447  0.239779  0.271628  -0.034036   -0.0680055  -0.023825   32  GLY   C HA3  
4143 N N    . VAL   C 21  ? 0.256599  0.242454  0.221509  -0.0460309  -0.0662945  -0.0219421  33  VAL   C N    
4144 C CA   . VAL   C 21  ? 0.234731  0.253795  0.20826   -0.028418   -0.0542795  -0.0161251  33  VAL   C CA   
4145 C C    . VAL   C 21  ? 0.264037  0.264734  0.210849  -0.0293547  -0.0533441  -0.0129656  33  VAL   C C    
4146 O O    . VAL   C 21  ? 0.260182  0.267333  0.210661  -0.0224878  -0.0422181  -0.028836   33  VAL   C O    
4147 C CB   . VAL   C 21  ? 0.238186  0.298988  0.182204  -0.038745   -0.0610595  -0.0055691  33  VAL   C CB   
4148 C CG1  . VAL   C 21  ? 0.301024  0.307699  0.22562   -0.0522013  -0.0788511  0.00286859  33  VAL   C CG1  
4149 C CG2  . VAL   C 21  ? 0.208934  0.286213  0.190276  -0.0237487  -0.0706353  0.0015424   33  VAL   C CG2  
4150 H H    . VAL   C 21  ? 0.236897  0.24261   0.228054  -0.0323152  -0.0581609  -0.0213818  33  VAL   C H    
4151 H HA   . VAL   C 21  ? 0.241914  0.255076  0.209613  -0.0285479  -0.0490183  -0.0144363  33  VAL   C HA   
4152 H HB   . VAL   C 21  ? 0.241057  0.283917  0.202559  -0.0306035  -0.054766   -0.00373439 33  VAL   C HB   
4153 H HG11 . VAL   C 21  ? 0.280334  0.305914  0.223771  -0.0419364  -0.0619677  0.00180025  33  VAL   C HG11 
4154 H HG12 . VAL   C 21  ? 0.280355  0.303686  0.228494  -0.0411249  -0.0626533  -0.00078681 33  VAL   C HG12 
4155 H HG13 . VAL   C 21  ? 0.283678  0.304717  0.223894  -0.0433176  -0.0598087  -0.0005933  33  VAL   C HG13 
4156 H HG21 . VAL   C 21  ? 0.21295   0.281792  0.193446  -0.0210501  -0.0593775  0.00129489  33  VAL   C HG21 
4157 H HG22 . VAL   C 21  ? 0.216248  0.281732  0.194426  -0.0235916  -0.0578568  0.00034723  33  VAL   C HG22 
4158 H HG23 . VAL   C 21  ? 0.216705  0.282173  0.193863  -0.0228257  -0.0577069  0.0001744   33  VAL   C HG23 
4159 N N    . LEU   C 22  ? 0.226412  0.273328  0.213573  -0.0161687  -0.0538662  -0.00166421 34  LEU   C N    
4160 C CA   . LEU   C 22  ? 0.234422  0.265935  0.187012  -0.0376403  -0.0397299  -0.0161631  34  LEU   C CA   
4161 C C    . LEU   C 22  ? 0.205338  0.278971  0.166444  -0.0151132  -0.0354552  -0.00885315 34  LEU   C C    
4162 O O    . LEU   C 22  ? 0.222247  0.298989  0.176571  -0.0506387  -0.0204306  -0.00840681 34  LEU   C O    
4163 C CB   . LEU   C 22  ? 0.219238  0.290597  0.195142  -0.0543381  -0.058724   -0.0269784  34  LEU   C CB   
4164 C CG   . LEU   C 22  ? 0.238696  0.300792  0.246466  -0.0571586  -0.0457311  -0.0195134  34  LEU   C CG   
4165 C CD1  . LEU   C 22  ? 0.209499  0.330944  0.26673   -0.064659   -0.0150072  -0.0296062  34  LEU   C CD1  
4166 C CD2  . LEU   C 22  ? 0.209979  0.313975  0.249901  -0.0876664  -0.0136883  -0.0319251  34  LEU   C CD2  
4167 H H    . LEU   C 22  ? 0.23734   0.268188  0.211767  -0.0216432  -0.0438162  -0.00457595 34  LEU   C H    
4168 H HA   . LEU   C 22  ? 0.225919  0.267696  0.194121  -0.0275005  -0.0371665  -0.0137758  34  LEU   C HA   
4169 H HB2  . LEU   C 22  ? 0.227845  0.280569  0.207189  -0.0435723  -0.0434389  -0.0196542  34  LEU   C HB2  
4170 H HB3  . LEU   C 22  ? 0.227713  0.281233  0.205801  -0.0437456  -0.043283   -0.0185696  34  LEU   C HB3  
4171 H HG   . LEU   C 22  ? 0.229322  0.301859  0.243483  -0.0544743  -0.0315618  -0.0214419  34  LEU   C HG   
4172 H HD11 . LEU   C 22  ? 0.224233  0.316507  0.263023  -0.0540526  -0.0200157  -0.0211131  34  LEU   C HD11 
4173 H HD12 . LEU   C 22  ? 0.220236  0.314494  0.262593  -0.056393   -0.0197643  -0.0218487  34  LEU   C HD12 
4174 H HD13 . LEU   C 22  ? 0.224219  0.316497  0.264624  -0.0539886  -0.0201256  -0.0228619  34  LEU   C HD13 
4175 H HD21 . LEU   C 22  ? 0.224575  0.304851  0.249715  -0.069296   -0.0187156  -0.0240385  34  LEU   C HD21 
4176 H HD22 . LEU   C 22  ? 0.22249   0.304167  0.249952  -0.0687454  -0.0188035  -0.0234716  34  LEU   C HD22 
4177 H HD23 . LEU   C 22  ? 0.215371  0.30167   0.249918  -0.0726366  -0.0185556  -0.0233604  34  LEU   C HD23 
4178 N N    . LYS   C 23  ? 0.241007  0.318149  0.167088  -0.0211669  -0.0192432  -0.00693743 35  LYS   C N    
4179 C CA   . LYS   C 23  ? 0.233082  0.262168  0.184546  -0.0214084  -0.0217759  -0.0085361  35  LYS   C CA   
4180 C C    . LYS   C 23  ? 0.226581  0.267127  0.187683  -0.0127534  -0.017878   -0.0186037  35  LYS   C C    
4181 O O    . LYS   C 23  ? 0.250015  0.271539  0.223964  -0.0126768  -0.0334211  -0.0422541  35  LYS   C O    
4182 C CB   . LYS   C 23  ? 0.217567  0.274449  0.192053  -0.0153054  0.0141638   0.00274203  35  LYS   C CB   
4183 C CG   . LYS   C 23  ? 0.237238  0.26897   0.195914  -0.016529   0.0306769   -0.00755037 35  LYS   C CG   
4184 C CD   . LYS   C 23  ? 0.225261  0.253723  0.190647  -0.0168351  0.0124016   -0.00804519 35  LYS   C CD   
4185 C CE   . LYS   C 23  ? 0.221451  0.247177  0.191507  -0.00685289 0.0135578   -0.0135336  35  LYS   C CE   
4186 N NZ   . LYS   C 23  ? 0.226542  0.221351  0.187793  -0.00047998 0.0288125   -0.0289387  35  LYS   C NZ   
4187 H H    . LYS   C 23  ? 0.232327  0.290157  0.182855  -0.0159464  -0.0183596  -0.00418907 35  LYS   C H    
4188 H HA   . LYS   C 23  ? 0.230226  0.267334  0.186647  -0.0160948  -0.0114206  -0.00858563 35  LYS   C HA   
4189 H HB2  . LYS   C 23  ? 0.226534  0.265595  0.194869  -0.0143327  0.00951394  -0.00034632 35  LYS   C HB2  
4190 H HB3  . LYS   C 23  ? 0.226594  0.267263  0.197396  -0.0139782  0.00961363  0.00038157  35  LYS   C HB3  
4191 H HG2  . LYS   C 23  ? 0.230704  0.263234  0.200002  -0.0136438  0.0200074   -0.00502893 35  LYS   C HG2  
4192 H HG3  . LYS   C 23  ? 0.23069   0.26323   0.199317  -0.0137367  0.0203997   -0.004155   35  LYS   C HG3  
4193 H HD2  . LYS   C 23  ? 0.226475  0.251258  0.195265  -0.0120828  0.0153331   -0.00726986 35  LYS   C HD2  
4194 H HD3  . LYS   C 23  ? 0.226472  0.25125   0.195384  -0.0120826  0.0152097   -0.00811891 35  LYS   C HD3  
4195 H HE2  . LYS   C 23  ? 0.223015  0.240476  0.194577  -0.00614631 0.0157321   -0.0137773  35  LYS   C HE2  
4196 H HE3  . LYS   C 23  ? 0.222955  0.240243  0.194939  -0.00603694 0.0157335   -0.0135419  35  LYS   C HE3  
4197 H HZ1  . LYS   C 23  ? 0.22314   0.227279  0.189569  -0.00169131 0.0216644   -0.0219382  35  LYS   C HZ1  
4198 H HZ2  . LYS   C 23  ? 0.223434  0.227611  0.191228  -0.00161206 0.0218485   -0.0211913  35  LYS   C HZ2  
4199 H HZ3  . LYS   C 23  ? 0.22335   0.227586  0.191237  -0.00148659 0.0220328   -0.0211468  35  LYS   C HZ3  
4200 N N    . ILE   C 24  ? 0.251043  0.240029  0.185088  -0.00372136 -0.00967046 -0.0177286  36  ILE   C N    
4201 C CA   . ILE   C 24  ? 0.29478   0.279554  0.188916  -0.00737752 -0.014436   0.0215522   36  ILE   C CA   
4202 C C    . ILE   C 24  ? 0.308111  0.276748  0.171248  -0.0119389  -0.0113575  0.0179825   36  ILE   C C    
4203 O O    . ILE   C 24  ? 0.300349  0.264206  0.174294  -0.0446322  0.00266653  0.0145455   36  ILE   C O    
4204 C CB   . ILE   C 24  ? 0.300159  0.309762  0.216487  -0.00815704 -0.0109505  0.0556879   36  ILE   C CB   
4205 C CG1  . ILE   C 24  ? 0.32404   0.363655  0.27833   0.00039967  -0.0378009  0.0743288   36  ILE   C CG1  
4206 C CG2  . ILE   C 24  ? 0.317285  0.316945  0.27583   -0.0154047  -0.0384409  0.0854487   36  ILE   C CG2  
4207 C CD1  . ILE   C 24  ? 0.328097  0.430169  0.340396  0.0143569   -0.0846136  0.114456    36  ILE   C CD1  
4208 H H    . ILE   C 24  ? 0.248537  0.249761  0.185681  -0.00574431 -0.00966571 -0.0116212  36  ILE   C H    
4209 H HA   . ILE   C 24  ? 0.283445  0.275246  0.198951  -0.00583474 -0.00867435 0.0162698   36  ILE   C HA   
4210 H HB   . ILE   C 24  ? 0.301578  0.307375  0.230529  -0.00601692 -0.0161055  0.0465891   36  ILE   C HB   
4211 H HG12 . ILE   C 24  ? 0.318788  0.356269  0.277983  0.00120877  -0.0333683  0.066977    36  ILE   C HG12 
4212 H HG13 . ILE   C 24  ? 0.318908  0.355993  0.278442  0.00181593  -0.0340316  0.0653802   36  ILE   C HG13 
4213 H HG21 . ILE   C 24  ? 0.310875  0.316161  0.264384  -0.0110821  -0.025203   0.0667555   36  ILE   C HG21 
4214 H HG22 . ILE   C 24  ? 0.310841  0.317319  0.26954   -0.0118347  -0.0258945  0.0699531   36  ILE   C HG22 
4215 H HG23 . ILE   C 24  ? 0.311104  0.315143  0.263061  -0.0108407  -0.0243594  0.0659766   36  ILE   C HG23 
4216 H HD11 . ILE   C 24  ? 0.333242  0.408102  0.33422   0.00864998  -0.0593561  0.0929962   36  ILE   C HD11 
4217 H HD12 . ILE   C 24  ? 0.33347   0.404811  0.328731  0.00814372  -0.0591709  0.0878601   36  ILE   C HD12 
4218 H HD13 . ILE   C 24  ? 0.335253  0.405695  0.332675  0.0099588   -0.0609855  0.0850752   36  ILE   C HD13 
4219 N N    . VAL   C 25  ? 0.31773   0.294498  0.170732  0.00331732  0.00101075  0.0157946   37  VAL   C N    
4220 C CA   . VAL   C 25  ? 0.330274  0.30122   0.165496  0.0209902   -0.0111428  0.0151825   37  VAL   C CA   
4221 C C    . VAL   C 25  ? 0.323467  0.285605  0.169497  0.0056529   -0.0273544  0.0223471   37  VAL   C C    
4222 O O    . VAL   C 25  ? 0.385943  0.310273  0.130955  -0.0114176  0.0131603   0.0265931   37  VAL   C O    
4223 C CB   . VAL   C 25  ? 0.301876  0.355313  0.14556   0.0116802   0.0187871   -0.00191079 37  VAL   C CB   
4224 C CG1  . VAL   C 25  ? 0.247179  0.377949  0.136672  0.0522401   0.0452765   -0.0261804  37  VAL   C CG1  
4225 C CG2  . VAL   C 25  ? 0.310354  0.35817   0.161009  0.0346503   0.0295619   -0.0238681  37  VAL   C CG2  
4226 H H    . VAL   C 25  ? 0.310463  0.29018   0.183574  0.00412505  -0.00135704 0.0149761   37  VAL   C H    
4227 H HA   . VAL   C 25  ? 0.313838  0.303533  0.176193  0.012727    -0.00388495 0.0136741   37  VAL   C HA   
4228 H HB   . VAL   C 25  ? 0.294684  0.342656  0.162693  0.024641    0.0189553   -0.0042267  37  VAL   C HB   
4229 H HG11 . VAL   C 25  ? 0.262709  0.359023  0.153532  0.0396848   0.0366447   -0.0152885  37  VAL   C HG11 
4230 H HG12 . VAL   C 25  ? 0.26379   0.361023  0.158032  0.0397531   0.0384141   -0.0156268  37  VAL   C HG12 
4231 H HG13 . VAL   C 25  ? 0.259708  0.354671  0.154515  0.0440784   0.0418951   -0.0182483  37  VAL   C HG13 
4232 H HG21 . VAL   C 25  ? 0.302824  0.348517  0.173882  0.028878    0.0290808   -0.0141274  37  VAL   C HG21 
4233 H HG22 . VAL   C 25  ? 0.304498  0.349854  0.175348  0.0270222   0.0273964   -0.0125443  37  VAL   C HG22 
4234 H HG23 . VAL   C 25  ? 0.304393  0.350074  0.174408  0.0271601   0.0268623   -0.0127052  37  VAL   C HG23 
4235 N N    . LYS   C 26  ? 0.288232  0.269379  0.1909    0.00937491  -0.0301834  0.0221908   38  LYS   C N    
4236 C CA   . LYS   C 26  ? 0.294705  0.279285  0.186237  0.0172783   -0.00235388 0.0392488   38  LYS   C CA   
4237 C C    . LYS   C 26  ? 0.328066  0.276247  0.208633  0.0203486   0.0218013   0.0631906   38  LYS   C C    
4238 O O    . LYS   C 26  ? 0.343039  0.316487  0.28692   0.0909441   0.0404811   0.124087    38  LYS   C O    
4239 C CB   . LYS   C 26  ? 0.262842  0.265988  0.198636  0.00841659  0.0201117   0.0192929   38  LYS   C CB   
4240 C CG   . LYS   C 26  ? 0.271353  0.285025  0.166602  0.0144858   0.0420755   0.0152335   38  LYS   C CG   
4241 C CD   . LYS   C 26  ? 0.328376  0.336608  0.198502  0.0310843   0.00494701  -0.00801165 38  LYS   C CD   
4242 C CE   . LYS   C 26  ? 0.331921  0.352584  0.219665  0.0326785   -0.0464454  -0.00383614 38  LYS   C CE   
4243 N NZ   . LYS   C 26  ? 0.307056  0.389729  0.239841  0.043776    -0.0432039  -0.00662987 38  LYS   C NZ   
4244 H H    . LYS   C 26  ? 0.292677  0.274275  0.193792  0.0102199   -0.0168235  0.0241469   38  LYS   C H    
4245 H HA   . LYS   C 26  ? 0.286111  0.273404  0.198618  0.0138633   0.00018962  0.0322592   38  LYS   C HA   
4246 H HB2  . LYS   C 26  ? 0.268884  0.269988  0.196384  0.0106431   0.0197992   0.0203372   38  LYS   C HB2  
4247 H HB3  . LYS   C 26  ? 0.268962  0.268223  0.195793  0.0106891   0.0189977   0.0210412   38  LYS   C HB3  
4248 H HG2  . LYS   C 26  ? 0.275872  0.280341  0.187356  0.0147814   0.0274903   0.0119965   38  LYS   C HG2  
4249 H HG3  . LYS   C 26  ? 0.275749  0.281944  0.184873  0.0155575   0.0280829   0.00844089  38  LYS   C HG3  
4250 H HD2  . LYS   C 26  ? 0.312315  0.321486  0.206367  0.0249207   0.00480721  -0.00032366 38  LYS   C HD2  
4251 H HD3  . LYS   C 26  ? 0.316399  0.323245  0.208163  0.0258007   0.00295622  -0.00020029 38  LYS   C HD3  
4252 H HE2  . LYS   C 26  ? 0.323993  0.352019  0.231221  0.0316632   -0.0274553  -0.00325956 38  LYS   C HE2  
4253 H HE3  . LYS   C 26  ? 0.326938  0.350982  0.231008  0.0323054   -0.0283446  -0.00372756 38  LYS   C HE3  
4254 H HZ1  . LYS   C 26  ? 0.313294  0.371994  0.244246  0.0358776   -0.0355341  -0.00399284 38  LYS   C HZ1  
4255 H HZ2  . LYS   C 26  ? 0.315141  0.372651  0.245528  0.0360471   -0.0364896  -0.0033457  38  LYS   C HZ2  
4256 H HZ3  . LYS   C 26  ? 0.315103  0.375121  0.244928  0.0363796   -0.0363279  -0.00529367 38  LYS   C HZ3  
4257 N N    A ARG   C 27  ? 0.340279  0.279521  0.180799  0.0274608   0.040946    0.0480871   39  ARG   C N    
4258 N N    B ARG   C 27  ? 0.336263  0.282175  0.181452  0.0278249   0.0412802   0.0530162   39  ARG   C N    
4259 C CA   A ARG   C 27  ? 0.364296  0.277362  0.190185  0.00040263  0.0564019   0.0530306   39  ARG   C CA   
4260 C CA   B ARG   C 27  ? 0.357675  0.281896  0.190625  0.0027291   0.0558419   0.0637972   39  ARG   C CA   
4261 C C    A ARG   C 27  ? 0.353536  0.272121  0.162378  0.0040886   0.0747471   0.042058    39  ARG   C C    
4262 C C    B ARG   C 27  ? 0.351793  0.27447   0.161435  0.00607376  0.0748632   0.0460803   39  ARG   C C    
4263 O O    A ARG   C 27  ? 0.366397  0.268245  0.170383  0.0023286   0.0633869   0.0286599   39  ARG   C O    
4264 O O    B ARG   C 27  ? 0.366503  0.268034  0.169502  0.0041732   0.0644124   0.0321642   39  ARG   C O    
4265 C CB   A ARG   C 27  ? 0.396132  0.273157  0.181785  -0.00215839 0.0459489   0.0549518   39  ARG   C CB   
4266 C CB   B ARG   C 27  ? 0.379726  0.280682  0.180524  0.00139876  0.0452835   0.0750531   39  ARG   C CB   
4267 C CG   A ARG   C 27  ? 0.415675  0.28753   0.213528  -0.0178402  0.0458584   0.0283253   39  ARG   C CG   
4268 C CG   B ARG   C 27  ? 0.393729  0.30456   0.222384  -0.0156999  0.0398847   0.0600786   39  ARG   C CG   
4269 C CD   A ARG   C 27  ? 0.451271  0.25946   0.251582  -0.0212872  0.050711    0.00880563  39  ARG   C CD   
4270 C CD   B ARG   C 27  ? 0.421524  0.278526  0.262658  -0.02193    0.0462219   0.0509795   39  ARG   C CD   
4271 N NE   A ARG   C 27  ? 0.469214  0.189107  0.218167  -0.0444172  0.0506628   0.00722448  39  ARG   C NE   
4272 N NE   B ARG   C 27  ? 0.427992  0.236035  0.253991  -0.0207484  0.0423248   0.0510757   39  ARG   C NE   
4273 C CZ   A ARG   C 27  ? 0.466858  0.191101  0.191951  -0.0376792  0.0358388   0.00454824  39  ARG   C CZ   
4274 C CZ   B ARG   C 27  ? 0.381832  0.155018  0.317818  -0.0559039  0.0302377   0.0532325   39  ARG   C CZ   
4275 N NH1  A ARG   C 27  ? 0.467215  0.216839  0.201775  -0.034375   0.0333398   -0.00658885 39  ARG   C NH1  
4276 N NH1  B ARG   C 27  ? 0.426479  0.153566  0.359442  -0.0455507  0.0166073   0.0581205   39  ARG   C NH1  
4277 N NH2  A ARG   C 27  ? 0.481404  0.11143   0.165002  -0.0570119  0.0286723   -0.00260105 39  ARG   C NH2  
4278 N NH2  B ARG   C 27  ? 0.329713  0.0850626 0.298683  -0.0611276  0.0328288   0.075841    39  ARG   C NH2  
4279 H H    A ARG   C 27  ? 0.332891  0.278057  0.200564  0.0182916   0.0362509   0.0470427   39  ARG   C H    
4280 H H    B ARG   C 27  ? 0.329543  0.280311  0.201171  0.018845    0.0361453   0.0510982   39  ARG   C H    
4281 H HA   A ARG   C 27  ? 0.353459  0.279352  0.197633  0.00758719  0.0511459   0.0459885   39  ARG   C HA   
4282 H HA   B ARG   C 27  ? 0.347159  0.28296   0.196743  0.00921469  0.0506805   0.054821    39  ARG   C HA   
4283 H HB2  A ARG   C 27  ? 0.38034   0.279374  0.204058  -0.00058496 0.046623    0.0460333   39  ARG   C HB2  
4284 H HB2  B ARG   C 27  ? 0.365499  0.286291  0.203777  0.00179819  0.0443565   0.0637961   39  ARG   C HB2  
4285 H HB3  A ARG   C 27  ? 0.380678  0.280346  0.194945  -0.00146592 0.0466823   0.0488507   39  ARG   C HB3  
4286 H HB3  B ARG   C 27  ? 0.365618  0.28646   0.193177  0.00102805  0.0436274   0.067564    39  ARG   C HB3  
4287 H HG2  A ARG   C 27  ? 0.40621   0.289082  0.22923   -0.0117845  0.0458682   0.0300017   39  ARG   C HG2  
4288 H HG2  B ARG   C 27  ? 0.386283  0.302381  0.234509  -0.0109542  0.0406418   0.056697    39  ARG   C HG2  
4289 H HG3  A ARG   C 27  ? 0.405854  0.286051  0.228889  -0.0102707  0.0457314   0.03045     39  ARG   C HG3  
4290 H HG3  B ARG   C 27  ? 0.385337  0.299149  0.233941  -0.00931529 0.0405945   0.0569607   39  ARG   C HG3  
4291 H HD2  A ARG   C 27  ? 0.43438   0.263919  0.257976  -0.018407   0.0492055   0.0133947   39  ARG   C HD2  
4292 H HD2  B ARG   C 27  ? 0.40571   0.285208  0.264161  -0.0143832  0.04089     0.0494781   39  ARG   C HD2  
4293 H HD3  A ARG   C 27  ? 0.434668  0.26307   0.252016  -0.0182469  0.0488145   0.0156464   39  ARG   C HD3  
4294 H HD3  B ARG   C 27  ? 0.405779  0.285913  0.263877  -0.0153552  0.041094    0.0501494   39  ARG   C HD3  
4295 H HE   A ARG   C 27  ? 0.444986  0.224932  0.234029  -0.0248163  0.0480653   0.0149185   39  ARG   C HE   
4296 H HE   B ARG   C 27  ? 0.401091  0.243003  0.281607  -0.0222219  0.0392478   0.0498341   39  ARG   C HE   
4297 H HH11 A ARG   C 27  ? 0.44958   0.231307  0.217266  -0.0242172  0.0389489   0.00488853  39  ARG   C HH11 
4298 H HH11 B ARG   C 27  ? 0.40098   0.183073  0.348188  -0.0363231  0.024811    0.0565261   39  ARG   C HH11 
4299 H HH12 A ARG   C 27  ? 0.447284  0.224436  0.213189  -0.024836   0.0375826   -0.00032207 39  ARG   C HH12 
4300 H HH12 B ARG   C 27  ? 0.400133  0.182859  0.345929  -0.0365733  0.0239146   0.0557587   39  ARG   C HH12 
4301 H HH21 A ARG   C 27  ? 0.446482  0.164485  0.187693  -0.0297749  0.0358908   0.01319     39  ARG   C HH21 
4302 H HH21 B ARG   C 27  ? 0.329779  0.115198  0.29896   -0.038809   0.0377534   0.0680642   39  ARG   C HH21 
4303 H HH22 A ARG   C 27  ? 0.446039  0.150063  0.179817  -0.0346435  0.0369561   -0.00363341 39  ARG   C HH22 
4304 H HH22 B ARG   C 27  ? 0.327906  0.130966  0.291067  -0.0430877  0.0343985   0.0641461   39  ARG   C HH22 
4305 N N    . VAL   C 28  ? 0.364824  0.286355  0.14774   -0.0033933  0.0760894   0.0502276   40  VAL   C N    
4306 C CA   . VAL   C 28  ? 0.354536  0.282817  0.106762  -0.0332905  0.0833532   0.0343529   40  VAL   C CA   
4307 C C    . VAL   C 28  ? 0.352134  0.272609  0.120722  -0.0357919  0.0888136   0.0224683   40  VAL   C C    
4308 O O    . VAL   C 28  ? 0.375665  0.312905  0.154586  -0.102096   0.102605    0.0241621   40  VAL   C O    
4309 C CB   . VAL   C 28  ? 0.363142  0.359061  0.115356  -0.0318694  0.0514194   0.0108084   40  VAL   C CB   
4310 C CG1  . VAL   C 28  ? 0.367775  0.379983  0.140671  -0.0549851  0.088626    0.0339619   40  VAL   C CG1  
4311 C CG2  . VAL   C 28  ? 0.366722  0.384896  0.143714  -0.0224244  0.0554195   0.0183829   40  VAL   C CG2  
4312 H H    A VAL   C 28  ? 0.350809  0.284971  0.158556  -0.00411765 0.0712904   0.0444546   40  VAL   C H    
4313 H H    B VAL   C 28  ? 0.350411  0.285796  0.158725  -0.00370786 0.0712751   0.0449445   40  VAL   C H    
4314 H HA   . VAL   C 28  ? 0.342252  0.286653  0.138939  -0.02422    0.0765887   0.0362103   40  VAL   C HA   
4315 H HB   . VAL   C 28  ? 0.357937  0.350917  0.149191  -0.0214818  0.061227    0.0212068   40  VAL   C HB   
4316 H HG11 . VAL   C 28  ? 0.359534  0.363619  0.157232  -0.0381528  0.0737374   0.030238    40  VAL   C HG11 
4317 H HG12 . VAL   C 28  ? 0.35849   0.366289  0.158352  -0.0364201  0.0719694   0.0279383   40  VAL   C HG12 
4318 H HG13 . VAL   C 28  ? 0.3603    0.366848  0.155945  -0.0364497  0.0730966   0.0275574   40  VAL   C HG13 
4319 H HG21 . VAL   C 28  ? 0.361236  0.371571  0.159011  -0.0162796  0.0534751   0.0182083   40  VAL   C HG21 
4320 H HG22 . VAL   C 28  ? 0.361495  0.370918  0.1612    -0.0163771  0.053305    0.0195237   40  VAL   C HG22 
4321 H HG23 . VAL   C 28  ? 0.362409  0.372828  0.161375  -0.01573    0.0529579   0.0185773   40  VAL   C HG23 
4322 N N    . GLY   C 29  ? 0.376756  0.302615  0.164188  -0.00345533 0.0878425   -0.00092354 41  GLY   C N    
4323 C CA   . GLY   C 29  ? 0.348835  0.298108  0.137798  0.0214442   0.0901005   0.00095716  41  GLY   C CA   
4324 C C    . GLY   C 29  ? 0.381555  0.32956   0.154854  0.0210885   0.120683    -0.025197   41  GLY   C C    
4325 O O    . GLY   C 29  ? 0.413218  0.344372  0.172292  0.0514659   0.073833    -0.0176288  41  GLY   C O    
4326 H H    . GLY   C 29  ? 0.356713  0.29839   0.167781  -0.00014851 0.0818905   0.00937437  41  GLY   C H    
4327 H HA2  . GLY   C 29  ? 0.350491  0.297958  0.165303  0.0155933   0.0880105   -0.00041054 41  GLY   C HA2  
4328 H HA3  . GLY   C 29  ? 0.351169  0.300022  0.160641  0.0168478   0.0893003   0.00438114  41  GLY   C HA3  
4329 N N    . ASN   C 30  ? 0.360941  0.357681  0.218517  0.00480742  0.121525    -0.0322454  42  ASN   C N    
4330 C CA   . ASN   C 30  ? 0.409094  0.371149  0.250264  0.00651918  0.154883    -0.0167141  42  ASN   C CA   
4331 C C    . ASN   C 30  ? 0.382681  0.368357  0.268355  0.01656     0.185562    0.0251216   42  ASN   C C    
4332 O O    . ASN   C 30  ? 0.423832  0.434994  0.236963  0.0440317   0.154747    0.0832775   42  ASN   C O    
4333 C CB   . ASN   C 30  ? 0.47666   0.452201  0.355803  -0.0317711  0.100524    -0.00200132 42  ASN   C CB   
4334 C CG   . ASN   C 30  ? 0.585629  0.5263    0.424955  -0.0295397  0.0774389   -0.0369701  42  ASN   C CG   
4335 O OD1  . ASN   C 30  ? 0.634967  0.752464  0.438794  -0.124907   0.0521814   -0.106154   42  ASN   C OD1  
4336 N ND2  . ASN   C 30  ? 0.562504  0.514312  0.470333  -0.0301309  0.0621617   -0.0262923  42  ASN   C ND2  
4337 H H    . ASN   C 30  ? 0.368424  0.349167  0.226328  0.0105769   0.113587    -0.0208358  42  ASN   C H    
4338 H HA   . ASN   C 30  ? 0.39704   0.376244  0.266996  0.00349247  0.127678    -0.00588594 42  ASN   C HA   
4339 H HB2  . ASN   C 30  ? 0.47185   0.441888  0.353215  -0.0173484  0.0985595   -0.0108496  42  ASN   C HB2  
4340 H HB3  . ASN   C 30  ? 0.478049  0.44218   0.352842  -0.0189183  0.0938242   -0.00895121 42  ASN   C HB3  
4341 H HD21 . ASN   C 30  ? 0.562335  0.517177  0.463157  -0.0257186  0.0607143   -0.0237853  42  ASN   C HD21 
4342 H HD22 . ASN   C 30  ? 0.559112  0.517307  0.464596  -0.0256456  0.061626    -0.0200836  42  ASN   C HD22 
4343 N N    . GLY   C 31  ? 0.417208  0.347836  0.343226  0.0282432   0.220348    0.00727888  43  GLY   C N    
4344 C CA   . GLY   C 31  ? 0.457404  0.378023  0.407973  0.0266668   0.180896    0.0172711   43  GLY   C CA   
4345 C C    . GLY   C 31  ? 0.467432  0.343674  0.338967  0.00971609  0.188766    0.0415791   43  GLY   C C    
4346 O O    . GLY   C 31  ? 0.509494  0.391124  0.289231  0.0583398   0.20294     0.0111868   43  GLY   C O    
4347 H H    . GLY   C 31  ? 0.408863  0.362062  0.335515  0.0212588   0.178512    0.0131914   43  GLY   C H    
4348 H HA2  . GLY   C 31  ? 0.450517  0.371813  0.387525  0.0185204   0.162867    0.0203581   43  GLY   C HA2  
4349 H HA3  . GLY   C 31  ? 0.446647  0.371379  0.384539  0.019855    0.170284    0.0180618   43  GLY   C HA3  
4350 N N    . GLU   C 32  ? 0.500136  0.313935  0.328556  -8.28e-05   0.159912    0.0401462   44  GLU   C N    
4351 C CA   . GLU   C 32  ? 0.477073  0.309115  0.293029  -0.0281426  0.154213    0.0103769   44  GLU   C CA   
4352 C C    . GLU   C 32  ? 0.364112  0.258384  0.238302  -0.0267086  0.133509    -0.00317054 44  GLU   C C    
4353 O O    . GLU   C 32  ? 0.411142  0.319119  0.305174  -0.0926022  0.106502    0.00248419  44  GLU   C O    
4354 C CB   . GLU   C 32  ? 0.533     0.340792  0.329525  0.0417376   0.16708     -0.0308891  44  GLU   C CB   
4355 H H    . GLU   C 32  ? 0.470637  0.329928  0.329681  -0.00162049 0.145685    0.0306397   44  GLU   C H    
4356 H HA   . GLU   C 32  ? 0.451845  0.313849  0.30102   -0.00971665 0.138237    0.00706314  44  GLU   C HA   
4357 H HB2  . GLU   C 32  ? 0.407058  0.407058  0.407058  0           0           0           44  GLU   C HB2  
4358 H HB3  . GLU   C 32  ? 0.407058  0.407058  0.407058  0           0           0           44  GLU   C HB3  
4359 N N    . GLU   C 33  ? 0.333688  0.247046  0.232625  -0.0327821  0.127465    0.0272292   45  GLU   C N    
4360 C CA   . GLU   C 33  ? 0.304397  0.229991  0.213298  -0.026415   0.0826444   0.00692284  45  GLU   C CA   
4361 C C    . GLU   C 33  ? 0.283999  0.193893  0.254532  -0.0162577  0.0616556   0.00559016  45  GLU   C C    
4362 O O    . GLU   C 33  ? 0.27062   0.19328   0.230952  -0.0100584  0.0629676   -0.0350636  45  GLU   C O    
4363 C CB   . GLU   C 33  ? 0.309423  0.321036  0.242799  0.00265778  0.0379319   -0.0116726  45  GLU   C CB   
4364 H H    . GLU   C 33  ? 0.321466  0.250352  0.235208  -0.0272649  0.105862    0.0150058   45  GLU   C H    
4365 H HA   . GLU   C 33  ? 0.297786  0.236759  0.232157  -0.0197356  0.0708621   0.00564369  45  GLU   C HA   
4366 H HB2  . GLU   C 33  ? 0.297124  0.297124  0.297124  0           0           0           45  GLU   C HB2  
4367 H HB3  . GLU   C 33  ? 0.297124  0.297124  0.297124  0           0           0           45  GLU   C HB3  
4368 N N    . THR   C 34  ? 0.281849  0.196189  0.194527  -0.00428591 0.0768655   -0.0104524  46  THR   C N    
4369 C CA   . THR   C 34  ? 0.240891  0.203237  0.209355  0.0107648   0.0544041   -0.00609265 46  THR   C CA   
4370 C C    . THR   C 34  ? 0.219604  0.20539   0.187682  0.0114811   0.0555076   -0.00750199 46  THR   C C    
4371 O O    . THR   C 34  ? 0.254554  0.24226   0.220024  0.0182711   0.0513444   -0.0071889  46  THR   C O    
4372 C CB   . THR   C 34  ? 0.233715  0.212777  0.200554  0.00309461  0.0625966   -0.0177682  46  THR   C CB   
4373 O OG1  . THR   C 34  ? 0.246676  0.206144  0.199117  -0.00623755 0.0767523   -0.0154446  46  THR   C OG1  
4374 C CG2  . THR   C 34  ? 0.23324   0.218558  0.207005  0.00921286  0.0332424   -0.0138196  46  THR   C CG2  
4375 H H    . THR   C 34  ? 0.265868  0.200464  0.213273  -0.00200524 0.0611838   -0.00470635 46  THR   C H    
4376 H HA   . THR   C 34  ? 0.238539  0.207464  0.203314  0.0062131   0.0535707   -0.0076203  46  THR   C HA   
4377 H HB   . THR   C 34  ? 0.231234  0.212572  0.201971  0.00520492  0.0545306   -0.0133617  46  THR   C HB   
4378 H HG1  . THR   C 34  ? 0.217587  0.217587  0.217587  0           0           0           46  THR   C HG1  
4379 H HG21 . THR   C 34  ? 0.229639  0.218943  0.207306  0.00608164  0.0363209   -0.012502   46  THR   C HG21 
4380 H HG22 . THR   C 34  ? 0.232216  0.219069  0.208674  0.00571503  0.0355176   -0.0116083  46  THR   C HG22 
4381 H HG23 . THR   C 34  ? 0.230959  0.219315  0.206683  0.00682563  0.0367806   -0.0122168  46  THR   C HG23 
4382 N N    . PRO   C 35  ? 0.191462  0.199775  0.18033   0.0199706   0.0586572   -0.00060035 47  PRO   C N    
4383 C CA   . PRO   C 35  ? 0.188651  0.200322  0.17599   0.0113265   0.0460829   0.00545661  47  PRO   C CA   
4384 C C    . PRO   C 35  ? 0.18825   0.186964  0.177804  0.00892759  0.0159577   -0.0111845  47  PRO   C C    
4385 O O    . PRO   C 35  ? 0.203926  0.226337  0.189263  0.016253    0.0191943   0.00112193  47  PRO   C O    
4386 C CB   . PRO   C 35  ? 0.204856  0.204439  0.197343  0.0153716   0.0406121   -0.00803986 47  PRO   C CB   
4387 C CG   . PRO   C 35  ? 0.20864   0.201668  0.212129  0.0180519   0.0431482   -0.00788484 47  PRO   C CG   
4388 C CD   . PRO   C 35  ? 0.179323  0.208167  0.2012    0.0178228   0.0538398   0.00970734  47  PRO   C CD   
4389 H HA   . PRO   C 35  ? 0.188918  0.198002  0.182088  0.0119684   0.0372445   -0.00110007 47  PRO   C HA   
4390 H HB2  . PRO   C 35  ? 0.2016    0.204876  0.197806  0.0140035   0.0366981   -0.00498625 47  PRO   C HB2  
4391 H HB3  . PRO   C 35  ? 0.20125   0.204541  0.196622  0.0136357   0.0375901   -0.00428547 47  PRO   C HB3  
4392 H HG2  . PRO   C 35  ? 0.204745  0.205486  0.206387  0.0163139   0.0388628   -0.003578   47  PRO   C HG2  
4393 H HG3  . PRO   C 35  ? 0.201556  0.204     0.206068  0.0152929   0.0396799   -0.00369642 47  PRO   C HG3  
4394 H HD2  . PRO   C 35  ? 0.186728  0.204611  0.197209  0.0157767   0.0453895   0.00299007  47  PRO   C HD2  
4395 H HD3  . PRO   C 35  ? 0.187716  0.203372  0.19748   0.0148319   0.0468811   0.00363264  47  PRO   C HD3  
4396 N N    . MET   C 36  ? 0.168281  0.199147  0.232761  0.0102532   0.0234674   -0.0112394  48  MET   C N    
4397 C CA   . MET   C 36  ? 0.189881  0.20206   0.194855  0.0134726   0.0225848   -0.00350115 48  MET   C CA   
4398 C C    . MET   C 36  ? 0.210375  0.171562  0.192387  0.0299082   0.031406    -0.0178176  48  MET   C C    
4399 O O    . MET   C 36  ? 0.219392  0.152663  0.236594  0.0269684   0.0408258   -0.027063   48  MET   C O    
4400 C CB   . MET   C 36  ? 0.219153  0.211303  0.203965  0.0312139   0.0360606   -0.00928975 48  MET   C CB   
4401 C CG   . MET   C 36  ? 0.205053  0.218594  0.205906  0.0328395   0.05319     0.00058475  48  MET   C CG   
4402 S SD   . MET   C 36  ? 0.234431  0.289602  0.222501  -0.00037223 0.0649963   -0.0298613  48  MET   C SD   
4403 C CE   . MET   C 36  ? 0.205987  0.295232  0.239874  0.036218    0.0630807   -0.0426418  48  MET   C CE   
4404 H H    . MET   C 36  ? 0.177673  0.19796   0.207598  0.00837925  0.0194644   -0.00806832 48  MET   C H    
4405 H HA   . MET   C 36  ? 0.192212  0.197358  0.200152  0.0154671   0.0231095   -0.00836221 48  MET   C HA   
4406 H HB2  . MET   C 36  ? 0.209445  0.212201  0.203542  0.0245264   0.0341936   -0.00449966 48  MET   C HB2  
4407 H HB3  . MET   C 36  ? 0.208814  0.213725  0.203255  0.0246363   0.0332352   -0.00578904 48  MET   C HB3  
4408 H HG2  . MET   C 36  ? 0.210449  0.221949  0.206587  0.0232816   0.045973    -0.0037558  48  MET   C HG2  
4409 H HG3  . MET   C 36  ? 0.206419  0.224073  0.207293  0.0266144   0.0449981   -0.00512961 48  MET   C HG3  
4410 H HE1  . MET   C 36  ? 0.216534  0.289138  0.238072  0.0248253   0.0569062   -0.033313   48  MET   C HE1  
4411 H HE2  . MET   C 36  ? 0.21637   0.290765  0.237691  0.0252878   0.0566048   -0.0343157  48  MET   C HE2  
4412 H HE3  . MET   C 36  ? 0.212573  0.28822   0.237089  0.0269059   0.0556365   -0.0332773  48  MET   C HE3  
4413 N N    . ILE   C 37  ? 0.218277  0.178535  0.178476  0.0310778   0.0399542   -0.0194094  49  ILE   C N    
4414 C CA   . ILE   C 37  ? 0.248382  0.186541  0.175835  0.0156324   0.0621656   -0.0260762  49  ILE   C CA   
4415 C C    . ILE   C 37  ? 0.274179  0.193409  0.176422  0.0448814   0.0581574   -0.00228685 49  ILE   C C    
4416 O O    . ILE   C 37  ? 0.240002  0.17862   0.138581  0.035177    0.0871732   0.00036353  49  ILE   C O    
4417 C CB   . ILE   C 37  ? 0.270405  0.21758   0.161613  0.00062812  0.0695128   -0.0270634  49  ILE   C CB   
4418 C CG1  . ILE   C 37  ? 0.287762  0.244584  0.209721  -0.0115815  0.047763    -0.0144657  49  ILE   C CG1  
4419 C CG2  . ILE   C 37  ? 0.256877  0.209944  0.168574  -0.0097202  0.0729442   -0.0380123  49  ILE   C CG2  
4420 C CD1  . ILE   C 37  ? 0.345797  0.265247  0.271164  -0.0273122  0.00462005  -0.0131756  49  ILE   C CD1  
4421 H H    . ILE   C 37  ? 0.218782  0.182108  0.18231   0.0235608   0.0382228   -0.0174057  49  ILE   C H    
4422 H HA   . ILE   C 37  ? 0.244256  0.19373   0.177835  0.0198188   0.0518426   -0.0172813  49  ILE   C HA   
4423 H HB   . ILE   C 37  ? 0.260355  0.215718  0.17873   0.00041968  0.0580506   -0.0225401  49  ILE   C HB   
4424 H HG12 . ILE   C 37  ? 0.288472  0.243543  0.213013  -0.00972093 0.0402508   -0.0142169  49  ILE   C HG12 
4425 H HG13 . ILE   C 37  ? 0.286793  0.241976  0.211686  -0.00886893 0.0403583   -0.014376   49  ILE   C HG13 
4426 H HG21 . ILE   C 37  ? 0.253979  0.211837  0.172876  -0.00656836 0.06342     -0.0289325  49  ILE   C HG21 
4427 H HG22 . ILE   C 37  ? 0.254099  0.212289  0.172105  -0.00489486 0.063772    -0.0296113  49  ILE   C HG22 
4428 H HG23 . ILE   C 37  ? 0.253196  0.212979  0.171872  -0.0049898  0.0628298   -0.0291463  49  ILE   C HG23 
4429 H HD11 . ILE   C 37  ? 0.324078  0.269567  0.258401  -0.0220477  0.0167446   -0.0091238  49  ILE   C HD11 
4430 H HD12 . ILE   C 37  ? 0.324536  0.264801  0.259597  -0.0191657  0.0182299   -0.0109333  49  ILE   C HD12 
4431 H HD13 . ILE   C 37  ? 0.323542  0.264357  0.268901  -0.0187863  0.0142704   -0.0119094  49  ILE   C HD13 
4432 N N    . GLY   C 38  ? 0.283699  0.186998  0.222454  0.0592006   0.0306959   -0.0235365  50  GLY   C N    
4433 C CA   . GLY   C 38  ? 0.297412  0.204661  0.206722  0.0488456   0.0443264   -0.0024287  50  GLY   C CA   
4434 C C    . GLY   C 38  ? 0.262548  0.215094  0.203685  0.0421513   0.0296835   -0.00821965 50  GLY   C C    
4435 O O    . GLY   C 38  ? 0.327307  0.243042  0.192895  0.0351045   0.0468011   0.00633265  50  GLY   C O    
4436 H H    . GLY   C 38  ? 0.27449   0.19761   0.209705  0.0486134   0.0380662   -0.011534   50  GLY   C H    
4437 H HA2  . GLY   C 38  ? 0.279507  0.209308  0.21017   0.0441455   0.0360609   -0.00765192 50  GLY   C HA2  
4438 H HA3  . GLY   C 38  ? 0.28014   0.210528  0.212039  0.0429427   0.0354571   -0.00725374 50  GLY   C HA3  
4439 N N    . ASP   C 39  ? 0.212279  0.211551  0.19059   0.0383129   0.0468454   0.00433687  51  ASP   C N    
4440 C CA   . ASP   C 39  ? 0.201201  0.211289  0.192306  0.0409315   0.0220328   0.00870967  51  ASP   C CA   
4441 C C    . ASP   C 39  ? 0.189537  0.219206  0.190279  0.041096    0.0102251   0.0117922   51  ASP   C C    
4442 O O    . ASP   C 39  ? 0.196909  0.195025  0.16299   0.0153973   0.0716489   0.00418613  51  ASP   C O    
4443 C CB   . ASP   C 39  ? 0.198664  0.225836  0.189743  0.045298    0.0238217   -0.00016893 51  ASP   C CB   
4444 C CG   . ASP   C 39  ? 0.203187  0.232879  0.191723  0.0397236   0.0246464   -0.0106891  51  ASP   C CG   
4445 O OD1  . ASP   C 39  ? 0.192899  0.272542  0.202114  0.0892623   0.0403985   -0.0327257  51  ASP   C OD1  
4446 O OD2  . ASP   C 39  ? 0.219484  0.231438  0.185888  0.0334288   0.0297806   -0.00335683 51  ASP   C OD2  
4447 H H    . ASP   C 39  ? 0.219157  0.212122  0.195303  0.0351368   0.0336866   0.00202096  51  ASP   C H    
4448 H HA   . ASP   C 39  ? 0.199841  0.214927  0.192696  0.036304    0.0222573   0.00553715  51  ASP   C HA   
4449 H HB2  . ASP   C 39  ? 0.199751  0.222057  0.192645  0.0375145   0.020918    -0.00059748 51  ASP   C HB2  
4450 H HB3  . ASP   C 39  ? 0.200414  0.222773  0.192555  0.0377231   0.0210189   -0.00055464 51  ASP   C HB3  
4451 N N    . LYS   C 40  ? 0.182342  0.230591  0.229391  0.0440414   0.00479636  -0.00907204 52  LYS   C N    
4452 C CA   . LYS   C 40  ? 0.191568  0.241947  0.249862  0.027016    0.00679777  -0.00508735 52  LYS   C CA   
4453 C C    . LYS   C 40  ? 0.18666   0.225705  0.197142  0.0196137   0.0158562   -0.00337297 52  LYS   C C    
4454 O O    . LYS   C 40  ? 0.181656  0.267089  0.223608  0.0156223   0.0244881   -0.00998646 52  LYS   C O    
4455 C CB   . LYS   C 40  ? 0.198913  0.262755  0.307219  0.0424073   -0.0144132  -0.022431   52  LYS   C CB   
4456 C CG   . LYS   C 40  ? 0.219912  0.284999  0.353094  0.0187134   -0.0380008  -0.0410247  52  LYS   C CG   
4457 C CD   . LYS   C 40  ? 0.237403  0.378045  0.447853  0.0560557   -0.0919675  -0.0680593  52  LYS   C CD   
4458 H H    . LYS   C 40  ? 0.185955  0.228635  0.222022  0.0357083   0.00795386  -0.00255765 52  LYS   C H    
4459 H HA   . LYS   C 40  ? 0.194942  0.238288  0.239361  0.0272268   0.00560882  -0.0066878  52  LYS   C HA   
4460 H HB2  . LYS   C 40  ? 0.208984  0.263669  0.296894  0.0300975   -0.0106497  -0.018364   52  LYS   C HB2  
4461 H HB3  . LYS   C 40  ? 0.209318  0.263717  0.297002  0.0301135   -0.0107709  -0.0184443  52  LYS   C HB3  
4462 H HG2  . LYS   C 40  ? 0.226338  0.293666  0.346863  0.0291807   -0.0338728  -0.0326957  52  LYS   C HG2  
4463 H HG3  . LYS   C 40  ? 0.225639  0.295713  0.348282  0.0291162   -0.0333648  -0.0341643  52  LYS   C HG3  
4464 H HD2  . LYS   C 40  ? 0.354751  0.354751  0.354751  0           0           0           52  LYS   C HD2  
4465 H HD3  . LYS   C 40  ? 0.354751  0.354751  0.354751  0           0           0           52  LYS   C HD3  
4466 N N    . VAL   C 41  ? 0.17751   0.211292  0.159437  0.00494156  0.0168102   -0.0009921  53  VAL   C N    
4467 C CA   . VAL   C 41  ? 0.167675  0.195585  0.173563  0.00540892  0.012885    -0.00310793 53  VAL   C CA   
4468 C C    . VAL   C 41  ? 0.151058  0.194486  0.1579    0.00551321  0.0229053   -0.00422064 53  VAL   C C    
4469 O O    . VAL   C 41  ? 0.118775  0.227018  0.172607  0.0212665   0.0334297   -0.0208979  53  VAL   C O    
4470 C CB   . VAL   C 41  ? 0.17808   0.210331  0.192683  -0.0104086  0.00109194  -0.00713015 53  VAL   C CB   
4471 C CG1  . VAL   C 41  ? 0.187476  0.254808  0.249053  -0.00825459 0.00517463  0.00620705  53  VAL   C CG1  
4472 C CG2  . VAL   C 41  ? 0.201403  0.200463  0.211499  -0.00506594 -0.00871316 -0.00543261 53  VAL   C CG2  
4473 H H    . VAL   C 41  ? 0.175113  0.208051  0.16877   0.00724136  0.0172113   -0.00116943 53  VAL   C H    
4474 H HA   . VAL   C 41  ? 0.168567  0.199109  0.1729    0.00250347  0.0126179   -0.00291257 53  VAL   C HA   
4475 H HB   . VAL   C 41  ? 0.180971  0.210539  0.197938  -0.00526546 0.00431419  -0.00344829 53  VAL   C HB   
4476 H HG11 . VAL   C 41  ? 0.192337  0.2402    0.232385  -0.00737033 0.00229339  0.00213947  53  VAL   C HG11 
4477 H HG12 . VAL   C 41  ? 0.18936   0.245551  0.230414  -0.00846164 0.00439629  0.0050196   53  VAL   C HG12 
4478 H HG13 . VAL   C 41  ? 0.19307   0.24028   0.229441  -0.00692196 0.00500513  0.00257211  53  VAL   C HG13 
4479 H HG21 . VAL   C 41  ? 0.196858  0.205045  0.206574  -0.00531227 -0.00364138 -0.00526212 53  VAL   C HG21 
4480 H HG22 . VAL   C 41  ? 0.195089  0.20478   0.206096  -0.00575718 -0.00418124 -0.005449   53  VAL   C HG22 
4481 H HG23 . VAL   C 41  ? 0.196575  0.204751  0.208389  -0.00580496 -0.00601761 -0.00547374 53  VAL   C HG23 
4482 N N    . TYR   C 42  ? 0.119739  0.177856  0.165014  0.0124142   0.0406246   0.00792288  54  TYR   C N    
4483 C CA   . TYR   C 42  ? 0.126837  0.194207  0.165311  -0.0007182  0.0505218   -0.00743719 54  TYR   C CA   
4484 C C    . TYR   C 42  ? 0.131914  0.178088  0.160193  0.00749009  0.0385281   -0.00740109 54  TYR   C C    
4485 O O    . TYR   C 42  ? 0.130552  0.19212   0.1702    -0.0114     0.0432659   0.00903419  54  TYR   C O    
4486 C CB   . TYR   C 42  ? 0.127446  0.200898  0.187497  -0.00196751 0.0413263   -0.0102288  54  TYR   C CB   
4487 C CG   . TYR   C 42  ? 0.143009  0.258258  0.220916  0.00126222  0.0203523   -0.0155241  54  TYR   C CG   
4488 C CD1  . TYR   C 42  ? 0.190671  0.279335  0.255819  0.0101437   -0.00835674 -0.0196179  54  TYR   C CD1  
4489 C CD2  . TYR   C 42  ? 0.200998  0.29298   0.218483  0.0222557   0.0139528   -0.0121149  54  TYR   C CD2  
4490 C CE1  . TYR   C 42  ? 0.241277  0.355103  0.294712  0.0285756   -0.0422605  -0.0193798  54  TYR   C CE1  
4491 C CE2  . TYR   C 42  ? 0.204743  0.372791  0.222829  -0.0087704  -0.013183   -0.0232334  54  TYR   C CE2  
4492 C CZ   . TYR   C 42  ? 0.236746  0.381265  0.247404  0.00480659  -0.0428602  -0.0127164  54  TYR   C CZ   
4493 O OH   . TYR   C 42  ? 0.235288  0.544155  0.271852  -0.0676069  -0.0454973  0.0450897   54  TYR   C OH   
4494 H H    . TYR   C 42  ? 0.131962  0.182866  0.162156  0.00700371  0.0345986   0.00167692  54  TYR   C H    
4495 H HA   . TYR   C 42  ? 0.130429  0.186862  0.16365   0.00329076  0.040781    -0.00450826 54  TYR   C HA   
4496 H HB2  . TYR   C 42  ? 0.13546   0.205035  0.184652  -0.00012724 0.035604    -0.00873865 54  TYR   C HB2  
4497 H HB3  . TYR   C 42  ? 0.135939  0.201988  0.185753  -1.067e-05  0.0351953   -0.00892821 54  TYR   C HB3  
4498 H HD1  . TYR   C 42  ? 0.192234  0.280589  0.249329  0.00981157  -0.00481854 -0.015523   54  TYR   C HD1  
4499 H HD2  . TYR   C 42  ? 0.19169   0.287148  0.223523  0.0109367   0.0102164   -0.012437   54  TYR   C HD2  
4500 H HE1  . TYR   C 42  ? 0.234038  0.338842  0.275889  0.0144272   -0.026541   -0.0137553  54  TYR   C HE1  
4501 H HE2  . TYR   C 42  ? 0.217759  0.34095   0.231172  0.00187474  -0.0100252  -0.016159   54  TYR   C HE2  
4502 H HH   . TYR   C 42  ? 0.355637  0.355637  0.355637  0           0           0           54  TYR   C HH   
4503 N N    . VAL   C 43  ? 0.119303  0.187403  0.122162  -0.00411423 0.0537996   0.00069652  55  VAL   C N    
4504 C CA   . VAL   C 43  ? 0.115526  0.183936  0.148078  -0.0163527  0.037521    -0.0123687  55  VAL   C CA   
4505 C C    . VAL   C 43  ? 0.143285  0.170254  0.17343   -0.0112197  0.029251    -0.00583967 55  VAL   C C    
4506 O O    . VAL   C 43  ? 0.150865  0.193834  0.170627  0.0119863   0.0350591   -0.00245117 55  VAL   C O    
4507 C CB   . VAL   C 43  ? 0.0940363 0.197399  0.166692  -0.0188436  0.0508194   -0.001794   55  VAL   C CB   
4508 C CG1  . VAL   C 43  ? 0.0515571 0.205633  0.191194  -0.0161624  0.0471799   -4.23e-05   55  VAL   C CG1  
4509 C CG2  . VAL   C 43  ? 0.086717  0.179546  0.170895  -0.0239295  0.0536553   -0.0026718  55  VAL   C CG2  
4510 H H    . VAL   C 43  ? 0.12344   0.180411  0.128153  -0.00331648 0.0430596   -0.00396651 55  VAL   C H    
4511 H HA   . VAL   C 43  ? 0.121649  0.181514  0.150231  -0.0111925  0.0375366   -0.00513998 55  VAL   C HA   
4512 H HB   . VAL   C 43  ? 0.0986979 0.189791  0.166755  -0.0148501  0.0438117   -0.00158525 55  VAL   C HB   
4513 H HG11 . VAL   C 43  ? 0.0770697 0.198446  0.180163  -0.0125086  0.0439937   0.00304912  55  VAL   C HG11 
4514 H HG12 . VAL   C 43  ? 0.0773572 0.198825  0.181809  -0.0130765  0.0441678   0.00283603  55  VAL   C HG12 
4515 H HG13 . VAL   C 43  ? 0.0684772 0.196093  0.180585  -0.0174121  0.0440717   0.00234202  55  VAL   C HG13 
4516 H HG21 . VAL   C 43  ? 0.0933775 0.179518  0.166957  -0.0201388  0.0469646   -0.00117318 55  VAL   C HG21 
4517 H HG22 . VAL   C 43  ? 0.0962383 0.178633  0.166975  -0.0181307  0.0474487   -0.00127839 55  VAL   C HG22 
4518 H HG23 . VAL   C 43  ? 0.0959778 0.180423  0.166669  -0.0183784  0.0472047   -0.00072407 55  VAL   C HG23 
4519 N N    . HIS   C 44  ? 0.180043  0.180265  0.156962  -0.0168799  0.0306053   -0.00568537 56  HIS   C N    
4520 C CA   . HIS   C 44  ? 0.185698  0.186419  0.185067  -0.0216844  0.0204008   0.0150233   56  HIS   C CA   
4521 C C    . HIS   C 44  ? 0.17625   0.189436  0.162659  -0.0170336  0.0356625   0.00697876  56  HIS   C C    
4522 O O    . HIS   C 44  ? 0.192989  0.222219  0.191383  -0.00145617 0.0107271   -0.00281207 56  HIS   C O    
4523 C CB   . HIS   C 44  ? 0.247782  0.178325  0.235469  -0.0235915  0.0176331   0.0238226   56  HIS   C CB   
4524 C CG   . HIS   C 44  ? 0.266684  0.200822  0.330282  -0.0558313  0.0195176   0.00980158  56  HIS   C CG   
4525 N ND1  . HIS   C 44  ? 0.281125  0.294539  0.45564   -0.0328266  -0.0135662  -0.00804253 56  HIS   C ND1  
4526 C CD2  . HIS   C 44  ? 0.262627  0.22195   0.400808  -0.00958374 0.0202297   -0.0327502  56  HIS   C CD2  
4527 C CE1  . HIS   C 44  ? 0.311968  0.285067  0.438677  -0.0334731  -0.0516895  -0.0229643  56  HIS   C CE1  
4528 N NE2  . HIS   C 44  ? 0.27332   0.302327  0.407439  -0.0446332  0.00411078  0.00493979  56  HIS   C NE2  
4529 H H    . HIS   C 44  ? 0.169902  0.178699  0.160935  -0.0141315  0.0260745   -0.00277255 56  HIS   C H    
4530 H HA   . HIS   C 44  ? 0.189107  0.186075  0.183932  -0.0171908  0.0224701   0.00859914  56  HIS   C HA   
4531 H HB2  . HIS   C 44  ? 0.231328  0.191157  0.236074  -0.0247942  0.0171923   0.0167691   56  HIS   C HB2  
4532 H HB3  . HIS   C 44  ? 0.231544  0.191283  0.236009  -0.0241787  0.0178902   0.0166566   56  HIS   C HB3  
4533 H HD1  . HIS   C 44  ? 0.340566  0.340566  0.340566  0           0           0           56  HIS   C HD1  
4534 H HD2  . HIS   C 44  ? 0.271085  0.243223  0.371839  -0.0227796  0.0168118   -0.0102067  56  HIS   C HD2  
4535 H HE1  . HIS   C 44  ? 0.30319   0.299002  0.418276  -0.0297368  -0.0232313  -0.0106099  56  HIS   C HE1  
4536 H HE2  . HIS   C 44  ? 0.327014  0.327014  0.327014  0           0           0           56  HIS   C HE2  
4537 N N    . TYR   C 45  ? 0.165108  0.172763  0.126185  -0.0207124  0.0253512   -0.00289721 57  TYR   C N    
4538 C CA   . TYR   C 45  ? 0.160965  0.175185  0.137862  -0.0136188  0.0280552   0.00076463  57  TYR   C CA   
4539 C C    . TYR   C 45  ? 0.172792  0.166135  0.175772  -0.00735877 0.0108558   0.0102961   57  TYR   C C    
4540 O O    . TYR   C 45  ? 0.132471  0.174777  0.188103  -0.00038299 0.0291397   -0.0162705  57  TYR   C O    
4541 C CB   . TYR   C 45  ? 0.135915  0.177886  0.148255  -0.0246272  0.013653    0.0182069   57  TYR   C CB   
4542 C CG   . TYR   C 45  ? 0.159209  0.16765   0.146344  -0.0183621  -0.00060387 0.0121962   57  TYR   C CG   
4543 C CD1  . TYR   C 45  ? 0.16806   0.197913  0.13464   -0.00678786 -0.00584358 0.0341503   57  TYR   C CD1  
4544 C CD2  . TYR   C 45  ? 0.180823  0.181751  0.148313  -0.0154292  -0.00087405 0.0355847   57  TYR   C CD2  
4545 C CE1  . TYR   C 45  ? 0.164087  0.18108   0.128004  -0.0156479  0.00633525  0.0339582   57  TYR   C CE1  
4546 C CE2  . TYR   C 45  ? 0.169139  0.195842  0.14305   -0.00602898 -0.00353025 0.0381136   57  TYR   C CE2  
4547 C CZ   . TYR   C 45  ? 0.17474   0.20367   0.124087  -0.0103084  0.0118829   0.0408943   57  TYR   C CZ   
4548 O OH   . TYR   C 45  ? 0.216161  0.239009  0.120014  -0.00981157 0.01106     -0.00616094 57  TYR   C OH   
4549 H H    . TYR   C 45  ? 0.163735  0.172489  0.134096  -0.0165596  0.023712    -0.00272378 57  TYR   C H    
4550 H HA   . TYR   C 45  ? 0.158741  0.173719  0.142513  -0.0132107  0.0193666   0.00361192  57  TYR   C HA   
4551 H HB2  . TYR   C 45  ? 0.144322  0.173117  0.145388  -0.0187682  0.0110946   0.0106275   57  TYR   C HB2  
4552 H HB3  . TYR   C 45  ? 0.146815  0.173591  0.146104  -0.0182004  0.0123776   0.011055    57  TYR   C HB3  
4553 H HD1  . TYR   C 45  ? 0.16284   0.184892  0.138542  -0.00911875 -0.00186949 0.0255184   57  TYR   C HD1  
4554 H HD2  . TYR   C 45  ? 0.17487   0.181474  0.149106  -0.013062   -0.0013084  0.026784    57  TYR   C HD2  
4555 H HE1  . TYR   C 45  ? 0.164701  0.18714   0.132593  -0.00969644 0.00588231  0.03049     57  TYR   C HE1  
4556 H HE2  . TYR   C 45  ? 0.170552  0.191922  0.141857  -0.00707483 7.658e-05   0.0334068   57  TYR   C HE2  
4557 H HH   . TYR   C 45  ? 0.19251   0.19251   0.19251   0           0           0           57  TYR   C HH   
4558 N N    . LYS   C 46  ? 0.181884  0.191141  0.166506  0.00739496  0.00983688  0.00208166  58  LYS   C N    
4559 C CA   . LYS   C 46  ? 0.184562  0.205294  0.184471  0.00731149  0.0545261   0.00466419  58  LYS   C CA   
4560 C C    . LYS   C 46  ? 0.201688  0.219066  0.185728  0.0174056   0.0141945   -0.00461423 58  LYS   C C    
4561 O O    . LYS   C 46  ? 0.204765  0.215553  0.182192  0.0241684   0.0542747   -0.0112474  58  LYS   C O    
4562 C CB   . LYS   C 46  ? 0.175114  0.226849  0.249774  0.0214312   0.0790389   0.0162196   58  LYS   C CB   
4563 C CG   . LYS   C 46  ? 0.216534  0.226077  0.265175  0.00047369  0.100424    0.0240715   58  LYS   C CG   
4564 C CD   . LYS   C 46  ? 0.310351  0.256897  0.259609  0.0563169   0.0776687   0.0143469   58  LYS   C CD   
4565 C CE   . LYS   C 46  ? 0.382146  0.286517  0.326863  0.0310733   0.0841024   0.0104819   58  LYS   C CE   
4566 N NZ   . LYS   C 46  ? 0.292073  0.225635  0.27494   -0.00259691 0.0290702   0.026163    58  LYS   C NZ   
4567 H H    . LYS   C 46  ? 0.17873   0.185909  0.170769  0.00274945  0.0176845   0.00272342  58  LYS   C H    
4568 H HA   . LYS   C 46  ? 0.185697  0.206224  0.189104  0.00954879  0.0368675   0.00339665  58  LYS   C HA   
4569 H HB2  . LYS   C 46  ? 0.190081  0.221861  0.23354   0.0129246   0.0699502   0.0141503   58  LYS   C HB2  
4570 H HB3  . LYS   C 46  ? 0.188329  0.220166  0.231221  0.0137541   0.0700856   0.0122705   58  LYS   C HB3  
4571 H HG2  . LYS   C 46  ? 0.223948  0.232931  0.256945  0.0143407   0.08033     0.0174556   58  LYS   C HG2  
4572 H HG3  . LYS   C 46  ? 0.223952  0.234231  0.257978  0.0144001   0.0792211   0.0183473   58  LYS   C HG3  
4573 H HD2  . LYS   C 46  ? 0.292369  0.257671  0.273019  0.0297563   0.0745619   0.0150235   58  LYS   C HD2  
4574 H HD3  . LYS   C 46  ? 0.291591  0.257481  0.274021  0.0309896   0.0751103   0.0152581   58  LYS   C HD3  
4575 H HE2  . LYS   C 46  ? 0.344986  0.274669  0.302235  0.0210963   0.0587389   0.0176988   58  LYS   C HE2  
4576 H HE3  . LYS   C 46  ? 0.349091  0.272227  0.305692  0.0271989   0.0689386   0.0171082   58  LYS   C HE3  
4577 H HZ1  . LYS   C 46  ? 0.293508  0.242896  0.276745  0.00427916  0.0332482   0.0191514   58  LYS   C HZ1  
4578 H HZ2  . LYS   C 46  ? 0.302261  0.243349  0.280489  0.00516514  0.0376097   0.0204554   58  LYS   C HZ2  
4579 H HZ3  . LYS   C 46  ? 0.301487  0.242481  0.276759  0.00525091  0.038456    0.0214927   58  LYS   C HZ3  
4580 N N    . GLY   C 47  ? 0.198298  0.214832  0.196308  0.0103475   0.00696871  -0.0383156  59  GLY   C N    
4581 C CA   . GLY   C 47  ? 0.219367  0.227647  0.195611  0.0107073   0.00523287  -0.0350043  59  GLY   C CA   
4582 C C    . GLY   C 47  ? 0.203739  0.230713  0.200508  0.00519427  0.0235854   -0.0197655  59  GLY   C C    
4583 O O    . GLY   C 47  ? 0.168157  0.20913   0.192895  -0.00909228 0.0563929   -0.0244129  59  GLY   C O    
4584 H H    . GLY   C 47  ? 0.202228  0.214209  0.191501  0.00911315  0.00792181  -0.0279147  59  GLY   C H    
4585 H HA2  . GLY   C 47  ? 0.209764  0.22424   0.19697   0.00759197  0.00981931  -0.0287417  59  GLY   C HA2  
4586 H HA3  . GLY   C 47  ? 0.210447  0.224857  0.198981  0.00767339  0.00977543  -0.0285994  59  GLY   C HA3  
4587 N N    . LYS   C 48  ? 0.228215  0.240036  0.192066  0.0104362   0.0259564   -0.0106477  60  LYS   C N    
4588 C CA   . LYS   C 48  ? 0.207282  0.246465  0.206534  -0.00078266 0.0394045   -0.0082106  60  LYS   C CA   
4589 C C    . LYS   C 48  ? 0.178403  0.24535   0.207558  -0.0077605  0.0435405   0.0077895   60  LYS   C C    
4590 O O    . LYS   C 48  ? 0.157806  0.256286  0.162724  -0.0206039  0.0533736   -0.00170811 60  LYS   C O    
4591 C CB   . LYS   C 48  ? 0.257139  0.234967  0.224273  -0.00051324 0.042609    -0.0112283  60  LYS   C CB   
4592 C CG   . LYS   C 48  ? 0.265655  0.249011  0.223194  0.00264772  0.0544641   -0.0156761  60  LYS   C CG   
4593 C CD   . LYS   C 48  ? 0.321784  0.283546  0.272344  -0.0140336  0.0641063   0.0265952   60  LYS   C CD   
4594 C CE   . LYS   C 48  ? 0.366507  0.370531  0.344796  0.00029102  0.0487535   0.0208239   60  LYS   C CE   
4595 N NZ   . LYS   C 48  ? 0.335062  0.412926  0.409559  0.0331036   0.0172006   0.0501409   60  LYS   C NZ   
4596 H H    . LYS   C 48  ? 0.216729  0.237188  0.200507  0.00539613  0.0257073   -0.0109543  60  LYS   C H    
4597 H HA   . LYS   C 48  ? 0.214094  0.241367  0.208232  -0.00028233 0.0341582   -0.00612611 60  LYS   C HA   
4598 H HB2  . LYS   C 48  ? 0.246986  0.242772  0.222955  -0.00172655 0.0382866   -0.00934463 60  LYS   C HB2  
4599 H HB3  . LYS   C 48  ? 0.245159  0.242481  0.222472  -9.133e-05  0.0395269   -0.00994407 60  LYS   C HB3  
4600 H HG2  . LYS   C 48  ? 0.262972  0.2513    0.232566  -0.00014688 0.049763    -0.00627532 60  LYS   C HG2  
4601 H HG3  . LYS   C 48  ? 0.266206  0.251018  0.233426  -0.00170061 0.0477769   -0.00576518 60  LYS   C HG3  
4602 H HD2  . LYS   C 48  ? 0.312347  0.289407  0.272538  -0.00602201 0.0505622   0.0121676   60  LYS   C HD2  
4603 H HD3  . LYS   C 48  ? 0.309502  0.290435  0.272803  -0.00515743 0.0513958   0.0125167   60  LYS   C HD3  
4604 H HE2  . LYS   C 48  ? 0.356854  0.354552  0.338899  0.00199685  0.0384656   0.0250188   60  LYS   C HE2  
4605 H HE3  . LYS   C 48  ? 0.351279  0.356559  0.339066  0.00440352  0.0411458   0.0259594   60  LYS   C HE3  
4606 H HZ1  . LYS   C 48  ? 0.352     0.400023  0.389069  0.0222894   0.0263918   0.0372241   60  LYS   C HZ1  
4607 H HZ2  . LYS   C 48  ? 0.347677  0.397152  0.388687  0.0202456   0.0255027   0.0353368   60  LYS   C HZ2  
4608 H HZ3  . LYS   C 48  ? 0.350651  0.397869  0.398434  0.0200826   0.0236853   0.0352324   60  LYS   C HZ3  
4609 N N    . LEU   C 49  ? 0.209171  0.279297  0.21302   0.00265838  0.0461868   -0.00907506 61  LEU   C N    
4610 C CA   . LEU   C 49  ? 0.198853  0.298643  0.288664  0.0101802   -0.00277667 0.00521203  61  LEU   C CA   
4611 C C    . LEU   C 49  ? 0.254165  0.334782  0.365342  0.00320561  -0.0709975  0.0285336   61  LEU   C C    
4612 O O    . LEU   C 49  ? 0.279472  0.315882  0.347206  0.00208873  -0.0690569  0.0209158   61  LEU   C O    
4613 C CB   . LEU   C 49  ? 0.221814  0.300163  0.316847  0.00417021  0.0101827   0.030047    61  LEU   C CB   
4614 C CG   . LEU   C 49  ? 0.262783  0.35795   0.353728  0.00948682  0.0100653   0.00845823  61  LEU   C CG   
4615 C CD1  . LEU   C 49  ? 0.247065  0.417562  0.375422  -0.00628547 0.0636821   0.0488992   61  LEU   C CD1  
4616 C CD2  . LEU   C 49  ? 0.276548  0.349837  0.369612  0.00202471  -0.0113436  0.0142037   61  LEU   C CD2  
4617 H H    . LEU   C 49  ? 0.204203  0.267212  0.225669  0.00086033  0.0316973   -0.0037295  61  LEU   C H    
4618 H HA   . LEU   C 49  ? 0.220223  0.293997  0.283836  0.00605212  0.00156481  0.00923859  61  LEU   C HA   
4619 H HB2  . LEU   C 49  ? 0.230437  0.302768  0.311673  0.00763409  0.00747262  0.0181014   61  LEU   C HB2  
4620 H HB3  . LEU   C 49  ? 0.228671  0.304975  0.31145   0.00517797  0.00764586  0.017791    61  LEU   C HB3  
4621 H HG   . LEU   C 49  ? 0.266419  0.350081  0.346238  0.00726558  0.0161204   0.0189328   61  LEU   C HG   
4622 H HD11 . LEU   C 49  ? 0.266807  0.399722  0.367489  -0.00222182 0.0439874   0.0321866   61  LEU   C HD11 
4623 H HD12 . LEU   C 49  ? 0.26757   0.393573  0.371085  -0.00111824 0.0455014   0.0318799   61  LEU   C HD12 
4624 H HD13 . LEU   C 49  ? 0.265027  0.392799  0.367408  -0.00191252 0.0437781   0.0326451   61  LEU   C HD13 
4625 H HD21 . LEU   C 49  ? 0.282446  0.350445  0.361304  0.00351834  -0.00564502 0.0122224   61  LEU   C HD21 
4626 H HD22 . LEU   C 49  ? 0.280301  0.349809  0.360992  0.00379464  -0.00333974 0.0115081   61  LEU   C HD22 
4627 H HD23 . LEU   C 49  ? 0.280771  0.350526  0.360718  0.00434651  -0.00301834 0.0117465   61  LEU   C HD23 
4628 N N    . SER   C 50  ? 0.353789  0.377616  0.461959  -0.0159067  -0.157796   0.0505378   62  SER   C N    
4629 C CA   . SER   C 50  ? 0.443296  0.476865  0.529432  0.0526832   -0.190216   0.0487694   62  SER   C CA   
4630 C C    . SER   C 50  ? 0.402784  0.50643   0.69691   0.0694405   -0.204252   0.0790284   62  SER   C C    
4631 O O    . SER   C 50  ? 0.480571  0.617182  0.862451  0.01026     -0.176692   0.186369    62  SER   C O    
4632 C CB   . SER   C 50  ? 0.476447  0.460893  0.523437  0.0793215   -0.198692   0.0165952   62  SER   C CB   
4633 O OG   . SER   C 50  ? 0.714093  0.480548  0.535622  0.0868437   -0.0526802  0.0062756   62  SER   C OG   
4634 H H    . SER   C 50  ? 0.342317  0.379599  0.434407  0.00244109  -0.115305   0.0386918   62  SER   C H    
4635 H HA   . SER   C 50  ? 0.429417  0.458406  0.530887  0.0396929   -0.161364   0.0418843   62  SER   C HA   
4636 H HB2  . SER   C 50  ? 0.503526  0.473385  0.52344   0.0656402   -0.144595   0.0210834   62  SER   C HB2  
4637 H HB3  . SER   C 50  ? 0.497628  0.46964   0.507059  0.0683447   -0.151732   0.0271702   62  SER   C HB3  
4638 H HG   . SER   C 50  ? 0.584243  0.584243  0.584243  0           0           0           62  SER   C HG   
4639 N N    . ASN   C 51  ? 0.51657   0.668082  0.804727  0.068697    -0.123288   0.0295661   63  ASN   C N    
4640 C CA   . ASN   C 51  ? 0.653087  0.760636  0.908212  0.106544    -0.0679538  0.00729507  63  ASN   C CA   
4641 C C    . ASN   C 51  ? 0.796231  0.788269  0.998783  0.0131288   0.0288726   -0.0641015  63  ASN   C C    
4642 O O    . ASN   C 51  ? 0.992401  0.900496  1.15603   0.031067    0.206287    -0.0369676  63  ASN   C O    
4643 C CB   . ASN   C 51  ? 0.63864   0.798547  0.931943  0.0951619   -0.0382659  0.107211    63  ASN   C CB   
4644 H H    . ASN   C 51  ? 0.521065  0.651083  0.769574  0.0653602   -0.114705   0.0246585   63  ASN   C H    
4645 H HA   . ASN   C 51  ? 0.652535  0.757732  0.890023  0.071359    -0.0509147  0.0124575   63  ASN   C HA   
4646 H HB2  . ASN   C 51  ? 0.795118  0.795118  0.795118  0           0           0           63  ASN   C HB2  
4647 H HB3  . ASN   C 51  ? 0.795118  0.795118  0.795118  0           0           0           63  ASN   C HB3  
4648 N N    . GLY   C 52  ? 0.733011  0.700434  1.04284   -0.00846311 0.0301471   -0.112638   64  GLY   C N    
4649 C CA   . GLY   C 52  ? 0.728216  0.742434  1.00452   -0.0198467  0.0494905   -0.0624787  64  GLY   C CA   
4650 C C    . GLY   C 52  ? 0.767327  0.690452  0.970526  -0.00373756 0.0776502   -0.0997237  64  GLY   C C    
4651 O O    . GLY   C 52  ? 0.976395  0.745098  1.08584   -0.0276326  0.205898    0.0336162   64  GLY   C O    
4652 H H    . GLY   C 52  ? 0.758911  0.747312  1.00567   0.00034426  0.0290354   -0.0771509  64  GLY   C H    
4653 H HA2  . GLY   C 52  ? 0.75477   0.739443  0.98475   -0.0100404  0.0470409   -0.0678352  64  GLY   C HA2  
4654 H HA3  . GLY   C 52  ? 0.751525  0.737543  0.983895  -0.00859188 0.0478479   -0.0678974  64  GLY   C HA3  
4655 N N    . LYS   C 53  ? 0.621563  0.622484  0.865591  0.0209518   0.0460676   -0.0913582  65  LYS   C N    
4656 C CA   . LYS   C 53  ? 0.565327  0.639926  0.719566  0.0536766   0.0712742   -0.0645868  65  LYS   C CA   
4657 C C    . LYS   C 53  ? 0.46144   0.5548    0.597909  0.117823    0.128243    -0.0879004  65  LYS   C C    
4658 O O    . LYS   C 53  ? 0.346697  0.748588  0.54144   0.138025    0.111234    -0.075628   65  LYS   C O    
4659 C CB   . LYS   C 53  ? 0.484848  0.57107   0.755046  0.0466519   0.0674051   0.0431376   65  LYS   C CB   
4660 H H    . LYS   C 53  ? 0.64921   0.651344  0.835953  0.0225121   0.0497995   -0.0721702  65  LYS   C H    
4661 H HA   . LYS   C 53  ? 0.555222  0.612517  0.71871   0.0531356   0.0685423   -0.04543    65  LYS   C HA   
4662 H HB2  . LYS   C 53  ? 0.61502   0.61502   0.61502   0           0           0           65  LYS   C HB2  
4663 H HB3  . LYS   C 53  ? 0.61502   0.61502   0.61502   0           0           0           65  LYS   C HB3  
4664 N N    . LYS   C 54  ? 0.421395  0.379339  0.355663  0.033999    0.115867    -0.0448965  66  LYS   C N    
4665 C CA   . LYS   C 54  ? 0.339998  0.364781  0.307607  0.0258377   0.143081    -0.046118   66  LYS   C CA   
4666 C C    . LYS   C 54  ? 0.329399  0.36462   0.263067  0.0084037   0.0977916   -0.0715599  66  LYS   C C    
4667 O O    . LYS   C 54  ? 0.38198   0.361103  0.246992  0.0370899   0.00754958  -0.0615599  66  LYS   C O    
4668 C CB   . LYS   C 54  ? 0.398514  0.375167  0.282421  -0.00988706 0.0922382   -0.0160996  66  LYS   C CB   
4669 H H    . LYS   C 54  ? 0.398444  0.394337  0.3722    0.0382728   0.106684    -0.049325   66  LYS   C H    
4670 H HA   . LYS   C 54  ? 0.357088  0.368298  0.305889  0.0167446   0.106253    -0.037942   66  LYS   C HA   
4671 H HB2  . LYS   C 54  ? 0.362097  0.362097  0.362097  0           0           0           66  LYS   C HB2  
4672 H HB3  . LYS   C 54  ? 0.362097  0.362097  0.362097  0           0           0           66  LYS   C HB3  
4673 N N    . PHE   C 55  ? 0.251328  0.33423   0.222206  -0.00793545 0.145097    -0.058675   67  PHE   C N    
4674 C CA   . PHE   C 55  ? 0.211971  0.267865  0.181852  0.00308246  0.106123    0.00105302  67  PHE   C CA   
4675 C C    . PHE   C 55  ? 0.223989  0.281847  0.151508  0.00445591  0.0749203   -0.0123532  67  PHE   C C    
4676 O O    . PHE   C 55  ? 0.265903  0.365639  0.181266  0.0449057   0.0490174   -0.0496266  67  PHE   C O    
4677 C CB   . PHE   C 55  ? 0.253107  0.261786  0.226657  -0.0162185  0.10493     -0.0078355  67  PHE   C CB   
4678 C CG   . PHE   C 55  ? 0.28084   0.264212  0.228572  0.0116928   0.103258    0.0154238   67  PHE   C CG   
4679 C CD1  . PHE   C 55  ? 0.290396  0.274481  0.239721  0.00377779  0.0918398   -0.00963737 67  PHE   C CD1  
4680 C CD2  . PHE   C 55  ? 0.295239  0.27111   0.223294  0.00791309  0.100634    0.0571722   67  PHE   C CD2  
4681 C CE1  . PHE   C 55  ? 0.298597  0.33104   0.254764  -0.0108366  0.113493    0.0110073   67  PHE   C CE1  
4682 C CE2  . PHE   C 55  ? 0.278776  0.2694    0.251223  0.0138848   0.10365     0.0396956   67  PHE   C CE2  
4683 C CZ   . PHE   C 55  ? 0.292677  0.295753  0.253398  -0.0123808  0.101939    0.0393619   67  PHE   C CZ   
4684 H H    . PHE   C 55  ? 0.257511  0.314821  0.22256   -0.00089061 0.110213    -0.0396346  67  PHE   C H    
4685 H HA   . PHE   C 55  ? 0.226582  0.274844  0.193727  -0.00086394 0.093581    -0.0101974  67  PHE   C HA   
4686 H HB2  . PHE   C 55  ? 0.250306  0.263318  0.219036  -0.00554729 0.0933116   -0.00081578 67  PHE   C HB2  
4687 H HB3  . PHE   C 55  ? 0.247343  0.261873  0.217291  -0.00538376 0.0919132   -0.00169062 67  PHE   C HB3  
4688 H HD1  . PHE   C 55  ? 0.284701  0.282873  0.242916  0.00162007  0.0877984   0.00182755  67  PHE   C HD1  
4689 H HD2  . PHE   C 55  ? 0.283654  0.27079   0.234165  0.00784276  0.0899417   0.0374327   67  PHE   C HD2  
4690 H HE1  . PHE   C 55  ? 0.29431   0.30734   0.258965  -0.00617275 0.0942445   0.0126456   67  PHE   C HE1  
4691 H HE2  . PHE   C 55  ? 0.280411  0.276937  0.24718   0.00438917  0.0905975   0.0377301   67  PHE   C HE2  
4692 H HZ   . PHE   C 55  ? 0.287318  0.295868  0.254847  -0.00472649 0.0927178   0.028782    67  PHE   C HZ   
4693 N N    . ASP   C 56  ? 0.199482  0.222597  0.133726  0.00507249  0.0480203   -0.0052134  68  ASP   C N    
4694 C CA   . ASP   C 56  ? 0.174054  0.236508  0.149461  -0.00428477 0.0523769   -0.0107485  68  ASP   C CA   
4695 C C    . ASP   C 56  ? 0.172554  0.281407  0.157406  0.0168837   0.0342299   -0.0122256  68  ASP   C C    
4696 O O    . ASP   C 56  ? 0.225704  0.305423  0.170913  -0.00119314 0.0303733   -0.0269758  68  ASP   C O    
4697 C CB   . ASP   C 56  ? 0.171525  0.252427  0.157312  0.00782771  0.0561561   -0.00131069 68  ASP   C CB   
4698 C CG   . ASP   C 56  ? 0.181281  0.249703  0.192604  -0.0143253  0.0416809   0.0112434   68  ASP   C CG   
4699 O OD1  . ASP   C 56  ? 0.23999   0.319111  0.265857  -0.0198427  -0.00278572 -0.0094388  68  ASP   C OD1  
4700 O OD2  . ASP   C 56  ? 0.214607  0.244906  0.200928  -0.0223433  0.0329543   0.0226729   68  ASP   C OD2  
4701 H H    . ASP   C 56  ? 0.1957    0.231577  0.142446  0.00275964  0.0489946   -0.00848221 68  ASP   C H    
4702 H HA   . ASP   C 56  ? 0.180439  0.237335  0.153015  0.00289061  0.0433172   -0.00907619 68  ASP   C HA   
4703 H HB2  . ASP   C 56  ? 0.172406  0.242365  0.16222   0.00124065  0.0511892   -0.00088442 68  ASP   C HB2  
4704 H HB3  . ASP   C 56  ? 0.17626   0.242698  0.166563  0.00073469  0.047761    0.00012786  68  ASP   C HB3  
4705 N N    . SER   C 57  ? 0.18156   0.356154  0.202183  -0.00039346 0.0412034   0.0151832   69  SER   C N    
4706 C CA   . SER   C 57  ? 0.181291  0.393884  0.217465  0.00481037  0.0352949   0.0438555   69  SER   C CA   
4707 C C    . SER   C 57  ? 0.178432  0.359525  0.210836  -0.00754028 0.0298166   0.0277902   69  SER   C C    
4708 O O    . SER   C 57  ? 0.143513  0.430101  0.163804  -0.0320962  0.0624538   0.0011538   69  SER   C O    
4709 C CB   . SER   C 57  ? 0.193209  0.427355  0.214524  0.0572706   0.00062143  0.126897    69  SER   C CB   
4710 O OG   . SER   C 57  ? 0.30808   0.605462  0.291683  0.0688654   -0.00315465 0.0586403   69  SER   C OG   
4711 H H    . SER   C 57  ? 0.188855  0.328918  0.204063  0.00679602  0.037227    0.0148506   69  SER   C H    
4712 H HA   . SER   C 57  ? 0.196071  0.365327  0.220129  0.0111444   0.0297922   0.0429055   69  SER   C HA   
4713 H HB2  . SER   C 57  ? 0.201228  0.42223   0.231586  0.0486848   0.00253934  0.0879452   69  SER   C HB2  
4714 H HB3  . SER   C 57  ? 0.21847   0.422935  0.236722  0.0446165   0.0118288   0.0840972   69  SER   C HB3  
4715 H HG   . SER   C 57  ? 0.409084  0.409084  0.409084  0           0           0           69  SER   C HG   
4716 N N    . SER   C 58  ? 0.169935  0.305433  0.172239  -0.0253213  0.0347866   -0.00207188 70  SER   C N    
4717 C CA   . SER   C 58  ? 0.166846  0.302434  0.243025  -0.0056247  0.0387228   -0.0153002  70  SER   C CA   
4718 C C    . SER   C 58  ? 0.165334  0.302033  0.306293  0.00108008  0.0706857   -0.0654925  70  SER   C C    
4719 O O    . SER   C 58  ? 0.166753  0.352852  0.338153  0.00043965  0.0583504   -0.0919141  70  SER   C O    
4720 C CB   . SER   C 58  ? 0.151522  0.277485  0.235284  -0.0109347  0.0108064   -0.0262829  70  SER   C CB   
4721 O OG   . SER   C 58  ? 0.158555  0.262489  0.190744  0.0114514   0.0418187   -0.053591   70  SER   C OG   
4722 H H    . SER   C 58  ? 0.176694  0.299715  0.189794  -0.0155651  0.0291254   -0.00282957 70  SER   C H    
4723 H HA   . SER   C 58  ? 0.17382   0.292828  0.237828  -0.00770638 0.0351093   -0.0191972  70  SER   C HA   
4724 H HB2  . SER   C 58  ? 0.159334  0.272182  0.223937  -0.00204521 0.0212262   -0.025419   70  SER   C HB2  
4725 H HB3  . SER   C 58  ? 0.163238  0.269652  0.224252  -0.00428635 0.0234102   -0.0250919  70  SER   C HB3  
4726 H HG   . SER   C 58  ? 0.208975  0.208975  0.208975  0           0           0           70  SER   C HG   
4727 N N    . HIS   C 59  ? 0.207986  0.277836  0.313992  -0.00739797 0.139225    -0.0675526  71  HIS   C N    
4728 C CA   . HIS   C 59  ? 0.30497   0.293189  0.414036  -0.0199553  0.134173    -0.121827   71  HIS   C CA   
4729 C C    . HIS   C 59  ? 0.38591   0.340082  0.492294  -0.0491296  0.129546    -0.188147   71  HIS   C C    
4730 O O    . HIS   C 59  ? 0.332524  0.373535  0.585531  -0.0779539  0.135905    -0.190376   71  HIS   C O    
4731 C CB   . HIS   C 59  ? 0.403881  0.296471  0.438426  -0.00327881 0.207756    -0.0770093  71  HIS   C CB   
4732 C CG   . HIS   C 59  ? 0.561897  0.351157  0.504278  0.00391946  0.212994    -0.0802363  71  HIS   C CG   
4733 N ND1  . HIS   C 59  ? 0.544524  0.434869  0.58665   0.0650105   0.112762    -0.0260121  71  HIS   C ND1  
4734 C CD2  . HIS   C 59  ? 0.573137  0.408549  0.529688  -0.00159936 0.259485    0.0038994   71  HIS   C CD2  
4735 C CE1  . HIS   C 59  ? 0.554828  0.418071  0.601355  0.114892    0.147846    0.0239715   71  HIS   C CE1  
4736 N NE2  . HIS   C 59  ? 0.59074   0.365545  0.497493  0.00210861  0.33638     0.0214293   71  HIS   C NE2  
4737 H H    . HIS   C 59  ? 0.222148  0.287459  0.319882  -0.00567806 0.107137    -0.0638599  71  HIS   C H    
4738 H HA   . HIS   C 59  ? 0.308378  0.304927  0.393595  -0.0155357  0.128789    -0.0953408  71  HIS   C HA   
4739 H HB2  . HIS   C 59  ? 0.394768  0.317381  0.433765  -0.00469275 0.166932    -0.0753248  71  HIS   C HB2  
4740 H HB3  . HIS   C 59  ? 0.393389  0.313286  0.43413   -0.0069847  0.167979    -0.0752679  71  HIS   C HB3  
4741 H HD1  . HIS   C 59  ? 0.520918  0.520918  0.520918  0           0           0           71  HIS   C HD1  
4742 H HD2  . HIS   C 59  ? 0.561056  0.402032  0.515957  0.0023208   0.23252     -0.00893293 71  HIS   C HD2  
4743 H HE1  . HIS   C 59  ? 0.555689  0.428343  0.566252  0.0647448   0.165226    0.0130601   71  HIS   C HE1  
4744 H HE2  . HIS   C 59  ? 0.487735  0.487735  0.487735  0           0           0           71  HIS   C HE2  
4745 N N    . ASP   C 60  ? 0.426538  0.417157  0.477549  -0.044038   0.108714    -0.211536   72  ASP   C N    
4746 C CA   . ASP   C 60  ? 0.501323  0.45584   0.519901  -0.0230612  0.0856606   -0.22875    72  ASP   C CA   
4747 C C    . ASP   C 60  ? 0.467874  0.406629  0.47759   -0.06917    0.0599819   -0.239419   72  ASP   C C    
4748 O O    . ASP   C 60  ? 0.666395  0.526897  0.597305  -0.10144    -0.0106277  -0.328477   72  ASP   C O    
4749 C CB   . ASP   C 60  ? 0.540986  0.533992  0.531422  0.0542221   0.142269    -0.240389   72  ASP   C CB   
4750 C CG   . ASP   C 60  ? 0.652331  0.589188  0.672208  0.108229    0.121767    -0.152835   72  ASP   C CG   
4751 O OD1  . ASP   C 60  ? 0.806385  0.674382  0.701771  -0.0559065  0.104339    -0.222905   72  ASP   C OD1  
4752 O OD2  . ASP   C 60  ? 0.71055   0.61687   0.603992  0.125453    0.224665    -0.198528   72  ASP   C OD2  
4753 H H    . ASP   C 60  ? 0.426074  0.408877  0.479202  -0.0337754  0.0964046   -0.178049   72  ASP   C H    
4754 H HA   . ASP   C 60  ? 0.483451  0.458053  0.501775  -0.0192267  0.0838001   -0.198514   72  ASP   C HA   
4755 H HB2  . ASP   C 60  ? 0.539646  0.530978  0.537524  0.0422954   0.108802    -0.188673   72  ASP   C HB2  
4756 H HB3  . ASP   C 60  ? 0.543652  0.524301  0.532429  0.0405913   0.107631    -0.193286   72  ASP   C HB3  
4757 N N    . ARG   C 61  ? 0.302298  0.428227  0.335135  -0.0507016  0.0688      -0.183898   73  ARG   C N    
4758 C CA   . ARG   C 61  ? 0.283604  0.388744  0.374137  -0.0783792  0.116068    -0.145884   73  ARG   C CA   
4759 C C    . ARG   C 61  ? 0.274809  0.369728  0.372529  -0.0870485  0.082086    -0.104301   73  ARG   C C    
4760 O O    . ARG   C 61  ? 0.331404  0.456255  0.361193  -0.152598   0.0642028   -0.087771   73  ARG   C O    
4761 C CB   . ARG   C 61  ? 0.397346  0.412613  0.433635  -0.0760665  0.0316886   -0.146636   73  ARG   C CB   
4762 H H    . ARG   C 61  ? 0.332753  0.404377  0.3682    -0.0535892  0.0678928   -0.162385   73  ARG   C H    
4763 H HA   . ARG   C 61  ? 0.310597  0.389993  0.367715  -0.0642462  0.0770736   -0.129233   73  ARG   C HA   
4764 H HB2  . ARG   C 61  ? 0.413137  0.413137  0.413137  0           0           0           73  ARG   C HB2  
4765 H HB3  . ARG   C 61  ? 0.413137  0.413137  0.413137  0           0           0           73  ARG   C HB3  
4766 N N    . ASN   C 62  ? 0.257161  0.273034  0.377179  -0.0513645  0.0820394   -0.0518118  74  ASN   C N    
4767 C CA   . ASN   C 62  ? 0.295965  0.265792  0.365484  -0.0856581  0.0755968   -0.0241092  74  ASN   C CA   
4768 C C    . ASN   C 62  ? 0.274451  0.219124  0.295023  -0.10811    0.0476883   -0.0119887  74  ASN   C C    
4769 O O    . ASN   C 62  ? 0.264272  0.200854  0.309384  -0.0963165  0.0827128   -0.0317374  74  ASN   C O    
4770 C CB   . ASN   C 62  ? 0.374932  0.258767  0.412996  -0.0774102  0.0763924   0.0219264   74  ASN   C CB   
4771 C CG   . ASN   C 62  ? 0.362837  0.250785  0.444909  -0.0694106  0.0780586   -0.0153902  74  ASN   C CG   
4772 O OD1  . ASN   C 62  ? 0.391492  0.354262  0.462309  -0.118478   0.00967117  0.0784264   74  ASN   C OD1  
4773 N ND2  . ASN   C 62  ? 0.4142    0.23045   0.521511  -0.0321384  0.0551188   -0.0644971  74  ASN   C ND2  
4774 H H    . ASN   C 62  ? 0.269209  0.298767  0.36362   -0.0574607  0.0695795   -0.0514694  74  ASN   C H    
4775 H HA   . ASN   C 62  ? 0.296631  0.264666  0.353434  -0.0710307  0.0644346   -0.0158     74  ASN   C HA   
4776 H HB2  . ASN   C 62  ? 0.354063  0.277426  0.40083   -0.0686994  0.0690172   0.0041022   74  ASN   C HB2  
4777 H HB3  . ASN   C 62  ? 0.352069  0.274693  0.401797  -0.0659243  0.0692982   0.00334412  74  ASN   C HB3  
4778 H HD21 . ASN   C 62  ? 0.406517  0.265314  0.495271  -0.0318382  0.0509549   -0.039597   74  ASN   C HD21 
4779 H HD22 . ASN   C 62  ? 0.400221  0.264499  0.487002  -0.0338399  0.0586664   -0.0370055  74  ASN   C HD22 
4780 N N    . GLU   C 63  ? 0.291101  0.226868  0.230853  -0.104676   0.0460178   -0.00718896 75  GLU   C N    
4781 C CA   . GLU   C 63  ? 0.271468  0.231423  0.192896  -0.102264   0.03427     -0.00562839 75  GLU   C CA   
4782 C C    . GLU   C 63  ? 0.240027  0.206588  0.228491  -0.0857872  0.0271212   -0.0078506  75  GLU   C C    
4783 O O    . GLU   C 63  ? 0.248223  0.239445  0.24874   -0.086632   -9.579e-05  -0.0329986  75  GLU   C O    
4784 C CB   . GLU   C 63  ? 0.301724  0.294128  0.211099  -0.128093   0.020654    -0.00124189 75  GLU   C CB   
4785 C CG   . GLU   C 63  ? 0.343804  0.354799  0.253228  -0.154896   0.00483451  -0.00967808 75  GLU   C CG   
4786 C CD   . GLU   C 63  ? 0.369035  0.345049  0.262363  -0.153938   -0.0158998  -0.0002137  75  GLU   C CD   
4787 O OE1  . GLU   C 63  ? 0.396032  0.33821   0.33417   -0.206013   -0.0253329  0.00549542  75  GLU   C OE1  
4788 O OE2  . GLU   C 63  ? 0.476361  0.347778  0.264133  -0.150066   0.0386917   0.0180572   75  GLU   C OE2  
4789 H H    . GLU   C 63  ? 0.28162   0.231058  0.238231  -0.0899283  0.040257    -0.00686019 75  GLU   C H    
4790 H HA   . GLU   C 63  ? 0.26519   0.236441  0.212984  -0.089872   0.0315946   -0.00390616 75  GLU   C HA   
4791 H HB2  . GLU   C 63  ? 0.296829  0.28687   0.221278  -0.108987   0.0206687   -0.00265031 75  GLU   C HB2  
4792 H HB3  . GLU   C 63  ? 0.297502  0.287233  0.221416  -0.109085   0.020709    -0.00259151 75  GLU   C HB3  
4793 H HG2  . GLU   C 63  ? 0.336338  0.34039   0.25509   -0.129249   0.00652445  -0.00476808 75  GLU   C HG2  
4794 H HG3  . GLU   C 63  ? 0.336015  0.336894  0.258828  -0.127752   0.00575022  -0.00552208 75  GLU   C HG3  
4795 N N    . PRO   C 64  ? 0.201336  0.215981  0.191418  -0.0593744  0.0128468   0.00225506  76  PRO   C N    
4796 C CA   . PRO   C 64  ? 0.184805  0.196497  0.167125  -0.0460237  0.0239805   0.00682146  76  PRO   C CA   
4797 C C    . PRO   C 64  ? 0.14596   0.197032  0.143728  -0.0257667  0.0243719   -0.0102335  76  PRO   C C    
4798 O O    . PRO   C 64  ? 0.101074  0.210334  0.125793  -0.0319282  0.0444291   -0.00201409 76  PRO   C O    
4799 C CB   . PRO   C 64  ? 0.221927  0.227506  0.192991  -0.0438208  0.00619965  0.0121568   76  PRO   C CB   
4800 C CG   . PRO   C 64  ? 0.215009  0.25802   0.261214  -0.0458091  0.0131637   -0.00193813 76  PRO   C CG   
4801 C CD   . PRO   C 64  ? 0.216236  0.225     0.225909  -0.0591528  0.00182579  0.00748873  76  PRO   C CD   
4802 H HA   . PRO   C 64  ? 0.183824  0.202464  0.171575  -0.0378176  0.0180457   0.00258785  76  PRO   C HA   
4803 H HB2  . PRO   C 64  ? 0.210006  0.224809  0.199326  -0.038425   0.0115341   0.00669248  76  PRO   C HB2  
4804 H HB3  . PRO   C 64  ? 0.210631  0.223874  0.196971  -0.0384481  0.0115948   0.00742834  76  PRO   C HB3  
4805 H HG2  . PRO   C 64  ? 0.221054  0.247092  0.244527  -0.0434129  0.010241    -0.0025452  76  PRO   C HG2  
4806 H HG3  . PRO   C 64  ? 0.221619  0.243769  0.238541  -0.0423465  0.00794645  0.00221628  76  PRO   C HG3  
4807 H HD2  . PRO   C 64  ? 0.213972  0.228779  0.222459  -0.0499103  0.00704551  0.00359071  76  PRO   C HD2  
4808 H HD3  . PRO   C 64  ? 0.212926  0.228423  0.223368  -0.0494517  0.00724325  0.00444891  76  PRO   C HD3  
4809 N N    . PHE   C 65  ? 0.159767  0.194432  0.14056   -0.0344068  0.0208671   0.00090975  77  PHE   C N    
4810 C CA   . PHE   C 65  ? 0.167372  0.193044  0.128182  -0.0248143  0.0278687   -0.0112967  77  PHE   C CA   
4811 C C    . PHE   C 65  ? 0.129193  0.191394  0.148154  -0.012148   0.019136    -0.0103315  77  PHE   C C    
4812 O O    . PHE   C 65  ? 0.121297  0.172616  0.157194  -0.0126133  0.0177486   -0.0161573  77  PHE   C O    
4813 C CB   . PHE   C 65  ? 0.146451  0.179912  0.121881  -0.0216074  0.0427281   -0.0205245  77  PHE   C CB   
4814 C CG   . PHE   C 65  ? 0.150998  0.18087   0.121235  -0.0229889  0.0380721   -0.0119271  77  PHE   C CG   
4815 C CD1  . PHE   C 65  ? 0.148449  0.198827  0.136723  -0.0343831  0.0297785   -0.0291018  77  PHE   C CD1  
4816 C CD2  . PHE   C 65  ? 0.157473  0.171639  0.132114  -0.0248374  0.0495703   -0.00284809 77  PHE   C CD2  
4817 C CE1  . PHE   C 65  ? 0.19754   0.211579  0.114882  -0.0379701  0.0384317   -0.0172174  77  PHE   C CE1  
4818 C CE2  . PHE   C 65  ? 0.143695  0.178773  0.151397  -0.0313433  0.0463296   -0.0210356  77  PHE   C CE2  
4819 C CZ   . PHE   C 65  ? 0.161884  0.188656  0.141515  -0.0276996  0.044827    -0.00337977 77  PHE   C CZ   
4820 H H    . PHE   C 65  ? 0.158709  0.191724  0.141446  -0.0258516  0.0211846   -0.00350031 77  PHE   C H    
4821 H HA   . PHE   C 65  ? 0.154487  0.187999  0.134137  -0.0202983  0.0249243   -0.00944533 77  PHE   C HA   
4822 H HB2  . PHE   C 65  ? 0.150648  0.177214  0.126255  -0.0184221  0.034728    -0.0144505  77  PHE   C HB2  
4823 H HB3  . PHE   C 65  ? 0.150965  0.179293  0.1255    -0.0192439  0.0343428   -0.0140568  77  PHE   C HB3  
4824 H HD1  . PHE   C 65  ? 0.158762  0.19115   0.132721  -0.0282658  0.0309107   -0.0195102  77  PHE   C HD1  
4825 H HD2  . PHE   C 65  ? 0.152081  0.174379  0.134905  -0.0224797  0.0415956   -0.00809212 77  PHE   C HD2  
4826 H HE1  . PHE   C 65  ? 0.174762  0.19971   0.126722  -0.029008   0.0369818   -0.0153146  77  PHE   C HE1  
4827 H HE2  . PHE   C 65  ? 0.151321  0.174953  0.145089  -0.0260472  0.0413191   -0.0123214  77  PHE   C HE2  
4828 H HZ   . PHE   C 65  ? 0.163607  0.186905  0.140235  -0.0277956  0.040061    -0.00802469 77  PHE   C HZ   
4829 N N    . VAL   C 66  ? 0.125113  0.193602  0.132729  -0.0187099  0.0312762   -0.0166664  78  VAL   C N    
4830 C CA   . VAL   C 66  ? 0.116344  0.192676  0.124443  0.00409076  0.0237237   -0.00259535 78  VAL   C CA   
4831 C C    . VAL   C 66  ? 0.155496  0.182876  0.115594  0.0117606   0.0391552   -0.0186438  78  VAL   C C    
4832 O O    . VAL   C 66  ? 0.137675  0.227205  0.111014  0.0130282   0.055068    -0.0167536  78  VAL   C O    
4833 C CB   . VAL   C 66  ? 0.121105  0.201434  0.146738  0.00151453  0.0265682   0.00063908  78  VAL   C CB   
4834 C CG1  . VAL   C 66  ? 0.10847   0.200054  0.160542  0.00662116  0.017959    -0.00511524 78  VAL   C CG1  
4835 C CG2  . VAL   C 66  ? 0.127664  0.199064  0.148826  -0.00036844 0.0218285   0.00143856  78  VAL   C CG2  
4836 H H    . VAL   C 66  ? 0.127545  0.188261  0.133617  -0.00951784 0.025559    -0.0107909  78  VAL   C H    
4837 H HA   . VAL   C 66  ? 0.128603  0.187509  0.129787  0.00120309  0.0261731   -0.00648105 78  VAL   C HA   
4838 H HB   . VAL   C 66  ? 0.124003  0.194909  0.147159  0.00283853  0.0220325   -2.142e-05  78  VAL   C HB   
4839 H HG11 . VAL   C 66  ? 0.117804  0.196317  0.158008  0.00493262  0.0188981   -0.00184631 78  VAL   C HG11 
4840 H HG12 . VAL   C 66  ? 0.118149  0.196743  0.157189  0.00530142  0.0188075   -0.0025091  78  VAL   C HG12 
4841 H HG13 . VAL   C 66  ? 0.11561   0.196097  0.156681  0.00448446  0.0179162   -0.00224373 78  VAL   C HG13 
4842 H HG21 . VAL   C 66  ? 0.130053  0.195729  0.149654  0.00061502  0.0215817   0.00146935  78  VAL   C HG21 
4843 H HG22 . VAL   C 66  ? 0.130298  0.195827  0.149646  0.00039732  0.0217255   0.00143531  78  VAL   C HG22 
4844 H HG23 . VAL   C 66  ? 0.130301  0.195885  0.149766  0.00070266  0.0217385   0.00144594  78  VAL   C HG23 
4845 N N    . PHE   C 67  ? 0.170815  0.18289   0.132942  0.0122378   0.0185289   -0.0119729  79  PHE   C N    
4846 C CA   . PHE   C 67  ? 0.132083  0.18399   0.154969  0.00377126  0.0291522   0.00317165  79  PHE   C CA   
4847 C C    . PHE   C 67  ? 0.167099  0.175822  0.151839  -0.00487022 0.0396483   -0.00013804 79  PHE   C C    
4848 O O    . PHE   C 67  ? 0.203601  0.176041  0.150784  0.0351665   0.0638135   -0.0161901  79  PHE   C O    
4849 C CB   . PHE   C 67  ? 0.137547  0.178076  0.191454  0.0300284   0.0305988   -0.0122157  79  PHE   C CB   
4850 C CG   . PHE   C 67  ? 0.142167  0.157263  0.199632  0.0228929   0.00573512  -0.00863213 79  PHE   C CG   
4851 C CD1  . PHE   C 67  ? 0.172217  0.203842  0.218616  0.0153034   0.00227492  0.00187163  79  PHE   C CD1  
4852 C CD2  . PHE   C 67  ? 0.144737  0.158514  0.22335   0.020236    0.00812734  -0.0161084  79  PHE   C CD2  
4853 C CE1  . PHE   C 67  ? 0.187036  0.192432  0.201752  -0.00398191 0.00679497  0.0104293   79  PHE   C CE1  
4854 C CE2  . PHE   C 67  ? 0.179695  0.177627  0.230843  0.0197468   0.00396835  0.0105732   79  PHE   C CE2  
4855 C CZ   . PHE   C 67  ? 0.195865  0.188128  0.214024  0.0172109   0.00079773  0.00576621  79  PHE   C CZ   
4856 H H    . PHE   C 67  ? 0.158312  0.181531  0.139789  0.00869642  0.0227289   -0.00844957 79  PHE   C H    
4857 H HA   . PHE   C 67  ? 0.148291  0.180012  0.154643  0.00735217  0.0263751   -0.00284319 79  PHE   C HA   
4858 H HB2  . PHE   C 67  ? 0.14201   0.176653  0.184091  0.0203323   0.0212148   -0.00823081 79  PHE   C HB2  
4859 H HB3  . PHE   C 67  ? 0.140919  0.173548  0.18213   0.0199929   0.0225307   -0.00747551 79  PHE   C HB3  
4860 H HD1  . PHE   C 67  ? 0.171242  0.19612   0.208702  0.0143503   0.0056647   0.00240687  79  PHE   C HD1  
4861 H HD2  . PHE   C 67  ? 0.153699  0.168325  0.21468   0.0187025   0.00765751  -0.00847266 79  PHE   C HD2  
4862 H HE1  . PHE   C 67  ? 0.185058  0.192598  0.204374  0.00465196  0.00526251  0.00847001  79  PHE   C HE1  
4863 H HE2  . PHE   C 67  ? 0.176202  0.1816    0.221175  0.0180911   0.00557696  0.00318615  79  PHE   C HE2  
4864 H HZ   . PHE   C 67  ? 0.189382  0.189483  0.211852  0.0111578   0.00365775  0.00659405  79  PHE   C HZ   
4865 N N    . SER   C 68  ? 0.19317   0.174152  0.157626  0.00073941  0.0419679   0.00075183  80  SER   C N    
4866 C CA   . SER   C 68  ? 0.176342  0.18168   0.135895  0.0208817   0.0629187   -0.0143709  80  SER   C CA   
4867 C C    . SER   C 68  ? 0.160743  0.173566  0.148412  0.0153523   0.0532646   -0.0105327  80  SER   C C    
4868 O O    . SER   C 68  ? 0.1535    0.155642  0.181294  0.0142268   0.0535806   0.00442218  80  SER   C O    
4869 C CB   . SER   C 68  ? 0.219837  0.213512  0.152249  0.0187009   0.038374    -0.0158981  80  SER   C CB   
4870 O OG   . SER   C 68  ? 0.277825  0.258685  0.211803  0.0203876   0.0216022   -0.00759943 80  SER   C OG   
4871 H H    . SER   C 68  ? 0.181647  0.17755   0.158508  0.00359626  0.0390445   -0.00228574 80  SER   C H    
4872 H HA   . SER   C 68  ? 0.173802  0.181982  0.142542  0.0126942   0.0529139   -0.00832749 80  SER   C HA   
4873 H HB2  . SER   C 68  ? 0.214858  0.212011  0.163274  0.0174465   0.0378462   -0.0114017  80  SER   C HB2  
4874 H HB3  . SER   C 68  ? 0.213615  0.210454  0.162562  0.0173771   0.0379705   -0.0117845  80  SER   C HB3  
4875 H HG   . SER   C 68  ? 0.25077   0.25077   0.25077   0           0           0           80  SER   C HG   
4876 N N    . LEU   C 69  ? 0.167078  0.17568   0.159771  0.0253376   0.0448527   -0.0136513  81  LEU   C N    
4877 C CA   . LEU   C 69  ? 0.210361  0.20255   0.162775  0.0307717   0.0424258   -0.0224142  81  LEU   C CA   
4878 C C    . LEU   C 69  ? 0.223426  0.215631  0.187026  0.00943372  0.0341303   -0.0499524  81  LEU   C C    
4879 O O    . LEU   C 69  ? 0.235053  0.194085  0.228065  -0.00135978 0.0293341   -0.0186284  81  LEU   C O    
4880 C CB   . LEU   C 69  ? 0.219352  0.249728  0.16322   0.0364866   0.0501125   -0.0317467  81  LEU   C CB   
4881 C CG   . LEU   C 69  ? 0.245424  0.278805  0.203996  0.0406663   0.0374101   -0.0186834  81  LEU   C CG   
4882 C CD1  . LEU   C 69  ? 0.22839   0.256274  0.191556  0.0226122   0.0307391   -0.00971779 81  LEU   C CD1  
4883 C CD2  . LEU   C 69  ? 0.261734  0.29082   0.20924   0.0617504   0.042352    -0.00580908 81  LEU   C CD2  
4884 H H    . LEU   C 69  ? 0.170123  0.180531  0.157473  0.0205534   0.0426503   -0.0128608  81  LEU   C H    
4885 H HA   . LEU   C 69  ? 0.201017  0.205042  0.170707  0.0236693   0.0384452   -0.0228438  81  LEU   C HA   
4886 H HB2  . LEU   C 69  ? 0.220045  0.240632  0.175808  0.0318011   0.0408188   -0.0230485  81  LEU   C HB2  
4887 H HB3  . LEU   C 69  ? 0.220558  0.240473  0.176189  0.0309539   0.0408788   -0.0227647  81  LEU   C HB3  
4888 H HG   . LEU   C 69  ? 0.239966  0.269703  0.199896  0.0361594   0.0352013   -0.0154741  81  LEU   C HG   
4889 H HD11 . LEU   C 69  ? 0.230051  0.256988  0.196658  0.0234873   0.0298358   -0.0103095  81  LEU   C HD11 
4890 H HD12 . LEU   C 69  ? 0.229439  0.257524  0.196527  0.0230986   0.0280763   -0.0103843  81  LEU   C HD12 
4891 H HD13 . LEU   C 69  ? 0.229701  0.25501   0.197557  0.0218938   0.0297522   -0.00937975 81  LEU   C HD13 
4892 H HD21 . LEU   C 69  ? 0.255423  0.281949  0.213746  0.0481096   0.0366331   -0.00830378 81  LEU   C HD21 
4893 H HD22 . LEU   C 69  ? 0.256525  0.284233  0.214115  0.0489399   0.0363193   -0.00868867 81  LEU   C HD22 
4894 H HD23 . LEU   C 69  ? 0.257223  0.283025  0.215155  0.0481284   0.0376029   -0.00786185 81  LEU   C HD23 
4895 N N    . GLY   C 70  ? 0.224241  0.205225  0.286981  0.021786    0.0288525   -0.0522329  82  GLY   C N    
4896 C CA   . GLY   C 70  ? 0.284189  0.231242  0.32378   -0.00420363 0.036311    -0.0343681  82  GLY   C CA   
4897 C C    . GLY   C 70  ? 0.376594  0.212102  0.356279  -0.00094614 0.00805578  -0.0172228  82  GLY   C C    
4898 O O    . GLY   C 70  ? 0.55247   0.237095  0.527751  -0.00607871 0.0395031   -0.0535707  82  GLY   C O    
4899 H H    . GLY   C 70  ? 0.231394  0.21265   0.25779   0.015923    0.0285312   -0.0396695  82  GLY   C H    
4900 H HA2  . GLY   C 70  ? 0.284961  0.231186  0.314354  0.00406805  0.0274843   -0.0297429  82  GLY   C HA2  
4901 H HA3  . GLY   C 70  ? 0.283645  0.232568  0.315532  0.00366741  0.0263912   -0.0286339  82  GLY   C HA3  
4902 N N    . LYS   C 71  ? 0.389287  0.166071  0.351143  0.0221776   0.0196401   -0.012529   83  LYS   C N    
4903 C CA   . LYS   C 71  ? 0.41749   0.206773  0.334546  0.0124017   0.03631     0.0247553   83  LYS   C CA   
4904 C C    . LYS   C 71  ? 0.41869   0.205199  0.343127  0.00799188  0.047812    0.0181946   83  LYS   C C    
4905 O O    . LYS   C 71  ? 0.393538  0.23287   0.334129  -0.0385743  0.122425    0.0104536   83  LYS   C O    
4906 C CB   . LYS   C 71  ? 0.482421  0.279476  0.327548  0.0527099   -0.00535919 0.0664221   83  LYS   C CB   
4907 C CG   . LYS   C 71  ? 0.526688  0.357584  0.348771  0.0705829   -0.0205088  0.0904334   83  LYS   C CG   
4908 C CD   . LYS   C 71  ? 0.580362  0.508656  0.481071  0.0868924   -0.0836572  0.036749    83  LYS   C CD   
4909 C CE   . LYS   C 71  ? 0.673895  0.614655  0.599484  0.119765    -0.123839   0.0271562   83  LYS   C CE   
4910 N NZ   . LYS   C 71  ? 0.73524   0.798077  0.747089  0.120453    -0.175626   0.0445101   83  LYS   C NZ   
4911 H H    . LYS   C 71  ? 0.380012  0.194639  0.344591  0.0163238   0.0239646   0.00242288  83  LYS   C H    
4912 H HA   . LYS   C 71  ? 0.410085  0.222872  0.340371  0.0217155   0.0294321   0.0233103   83  LYS   C HA   
4913 H HB2  . LYS   C 71  ? 0.458609  0.290252  0.339223  0.0434049   0.00642332  0.0553189   83  LYS   C HB2  
4914 H HB3  . LYS   C 71  ? 0.458606  0.290369  0.33581   0.0430453   0.00693963  0.0554202   83  LYS   C HB3  
4915 H HG2  . LYS   C 71  ? 0.50755   0.368269  0.370817  0.0611546   -0.0196497  0.0669495   83  LYS   C HG2  
4916 H HG3  . LYS   C 71  ? 0.507994  0.368294  0.359302  0.0606509   -0.0172321  0.0719502   83  LYS   C HG3  
4917 H HD2  . LYS   C 71  ? 0.562033  0.493212  0.46267   0.0824369   -0.060791   0.0412953   83  LYS   C HD2  
4918 H HD3  . LYS   C 71  ? 0.570049  0.486616  0.480089  0.0784813   -0.0641957  0.0438744   83  LYS   C HD3  
4919 H HE2  . LYS   C 71  ? 0.652285  0.620812  0.596436  0.0978642   -0.105855   0.0291221   83  LYS   C HE2  
4920 H HE3  . LYS   C 71  ? 0.650037  0.614641  0.599197  0.0958936   -0.105272   0.0307036   83  LYS   C HE3  
4921 H HZ1  . LYS   C 71  ? 0.720817  0.74014   0.728733  0.103215    -0.141165   0.0352861   83  LYS   C HZ1  
4922 H HZ2  . LYS   C 71  ? 0.721741  0.755972  0.706904  0.11011     -0.139216   0.0282141   83  LYS   C HZ2  
4923 H HZ3  . LYS   C 71  ? 0.730605  0.751661  0.708686  0.0934895   -0.140375   0.0370802   83  LYS   C HZ3  
4924 N N    . GLY   C 72  ? 0.366991  0.232852  0.397094  0.0069607   0.0762779   -0.00889067 84  GLY   C N    
4925 C CA   . GLY   C 72  ? 0.366311  0.246204  0.379474  -0.00176461 0.062753    0.0132947   84  GLY   C CA   
4926 C C    . GLY   C 72  ? 0.304956  0.2509    0.3109    -0.00409435 0.0557935   0.0127996   84  GLY   C C    
4927 O O    . GLY   C 72  ? 0.342432  0.27691   0.319756  -0.0651401  0.134735    0.0593287   84  GLY   C O    
4928 H H    . GLY   C 72  ? 0.375415  0.245499  0.381093  0.00778409  0.0604031   0.00433341  84  GLY   C H    
4929 H HA2  . GLY   C 72  ? 0.350023  0.259132  0.363721  0.0008447   0.0587151   0.00727824  84  GLY   C HA2  
4930 H HA3  . GLY   C 72  ? 0.348775  0.259592  0.362155  0.00186952  0.0579464   0.00730981  84  GLY   C HA3  
4931 N N    . GLN   C 73  ? 0.273245  0.230825  0.255816  -0.00366625 -0.00232703 0.0073305   85  GLN   C N    
4932 C CA   . GLN   C 73  ? 0.224885  0.218     0.223841  -0.0118823  -0.00647742 0.0119596   85  GLN   C CA   
4933 C C    . GLN   C 73  ? 0.222267  0.232239  0.195177  -0.0196238  -0.0131099  0.00072956  85  GLN   C C    
4934 O O    . GLN   C 73  ? 0.183991  0.236562  0.174088  -0.0103381  0.0210876   -0.00877952 85  GLN   C O    
4935 C CB   . GLN   C 73  ? 0.228251  0.231486  0.19681   -0.0147213  -0.00304319 0.0225478   85  GLN   C CB   
4936 C CG   . GLN   C 73  ? 0.22716   0.202701  0.219325  -0.0131063  0.00271983  0.0209288   85  GLN   C CG   
4937 C CD   . GLN   C 73  ? 0.236241  0.207165  0.16177   0.0041238   0.0226801   0.00374301  85  GLN   C CD   
4938 O OE1  . GLN   C 73  ? 0.261355  0.189286  0.175666  -0.0258061  -0.0158623  0.00329208  85  GLN   C OE1  
4939 N NE2  . GLN   C 73  ? 0.261721  0.239218  0.184277  0.0239377   0.0352453   0.00593667  85  GLN   C NE2  
4940 H H    . GLN   C 73  ? 0.264968  0.235426  0.257675  -0.00625064 0.00681847  0.00997588  85  GLN   C H    
4941 H HA   . GLN   C 73  ? 0.231232  0.22609   0.220819  -0.0109327  -0.00441169 0.00956673  85  GLN   C HA   
4942 H HB2  . GLN   C 73  ? 0.226002  0.222699  0.204021  -0.0118743  -0.00051589 0.0169811   85  GLN   C HB2  
4943 H HB3  . GLN   C 73  ? 0.226137  0.225849  0.208172  -0.0114003  -0.00125517 0.0181867   85  GLN   C HB3  
4944 H HG2  . GLN   C 73  ? 0.227728  0.211068  0.211726  -0.00849253 0.00498058  0.0165347   85  GLN   C HG2  
4945 H HG3  . GLN   C 73  ? 0.227516  0.208179  0.20414   -0.00905296 0.00569035  0.0146921   85  GLN   C HG3  
4946 H HE21 . GLN   C 73  ? 0.253367  0.22927   0.183688  0.0163276   0.0271354   0.00459359  85  GLN   C HE21 
4947 H HE22 . GLN   C 73  ? 0.250953  0.232618  0.18518   0.0173754   0.0268605   0.00287727  85  GLN   C HE22 
4948 N N    . VAL   C 74  ? 0.189233  0.19822   0.171939  -0.0395168  0.00247634  0.00680335  86  VAL   C N    
4949 C CA   . VAL   C 74  ? 0.143427  0.205165  0.134478  -0.0498318  0.00179409  0.0238505   86  VAL   C CA   
4950 C C    . VAL   C 74  ? 0.144439  0.188792  0.143949  -0.052441   0.0224964   0.0292735   86  VAL   C C    
4951 O O    . VAL   C 74  ? 0.151139  0.222186  0.191499  -0.0434256  -0.0178947  0.0336544   86  VAL   C O    
4952 C CB   . VAL   C 74  ? 0.151241  0.197406  0.129976  -0.0371079  0.0213157   0.00981502  86  VAL   C CB   
4953 C CG1  . VAL   C 74  ? 0.152506  0.209822  0.150722  -0.02385    0.00632227  -0.00427583 86  VAL   C CG1  
4954 C CG2  . VAL   C 74  ? 0.130251  0.217443  0.145557  -0.0465128  0.0368313   0.0122481   86  VAL   C CG2  
4955 H H    . VAL   C 74  ? 0.182681  0.202215  0.168139  -0.0317981  0.00134486  0.00764016  86  VAL   C H    
4956 H HA   . VAL   C 74  ? 0.154396  0.19681   0.145309  -0.0398198  0.00902078  0.0181818   86  VAL   C HA   
4957 H HB   . VAL   C 74  ? 0.147734  0.199385  0.140352  -0.0331049  0.0167702   0.0101102   86  VAL   C HB   
4958 H HG11 . VAL   C 74  ? 0.154942  0.202469  0.149311  -0.023234   0.00998857  0.0004362   86  VAL   C HG11 
4959 H HG12 . VAL   C 74  ? 0.154856  0.202385  0.149202  -0.0233139  0.0103157   0.00018135  86  VAL   C HG12 
4960 H HG13 . VAL   C 74  ? 0.155819  0.203232  0.152515  -0.0226106  0.00850722  -0.00118057 86  VAL   C HG13 
4961 H HG21 . VAL   C 74  ? 0.140228  0.205477  0.142447  -0.0379795  0.0305684   0.0117415   86  VAL   C HG21 
4962 H HG22 . VAL   C 74  ? 0.139959  0.205329  0.143847  -0.0381023  0.0291845   0.0106282   86  VAL   C HG22 
4963 H HG23 . VAL   C 74  ? 0.141721  0.206327  0.14447   -0.0378681  0.0297585   0.0104637   86  VAL   C HG23 
4964 N N    . ILE   C 75  ? 0.145484  0.189338  0.155815  -0.0644391  0.0243351   0.0320713   87  ILE   C N    
4965 C CA   . ILE   C 75  ? 0.15125   0.207885  0.173239  -0.0531793  0.0150403   0.0190736   87  ILE   C CA   
4966 C C    . ILE   C 75  ? 0.149406  0.198044  0.178728  -0.0683534  0.0342062   0.0126441   87  ILE   C C    
4967 O O    . ILE   C 75  ? 0.131164  0.244437  0.187513  -0.0779059  0.0281788   0.00869463  87  ILE   C O    
4968 C CB   . ILE   C 75  ? 0.207706  0.20735   0.202143  -0.035387   -0.00234706 0.0236965   87  ILE   C CB   
4969 C CG1  . ILE   C 75  ? 0.221715  0.202286  0.209036  -0.0309592  0.0034127   0.0196291   87  ILE   C CG1  
4970 C CG2  . ILE   C 75  ? 0.214951  0.219642  0.207811  -0.0424096  0.00600412  0.0348235   87  ILE   C CG2  
4971 C CD1  . ILE   C 75  ? 0.221441  0.210862  0.205413  -0.0308783  0.0171282   0.028804    87  ILE   C CD1  
4972 H H    . ILE   C 75  ? 0.149875  0.187649  0.157439  -0.050841   0.0198057   0.0252694   87  ILE   C H    
4973 H HA   . ILE   C 75  ? 0.160789  0.199955  0.175513  -0.0478351  0.0160722   0.018144    87  ILE   C HA   
4974 H HB   . ILE   C 75  ? 0.199699  0.210051  0.198152  -0.0335837  0.00547402  0.0212543   87  ILE   C HB   
4975 H HG12 . ILE   C 75  ? 0.216216  0.20687   0.205335  -0.0277763  0.00601854  0.0198195   87  ILE   C HG12 
4976 H HG13 . ILE   C 75  ? 0.216252  0.207132  0.2057    -0.0278104  0.00603824  0.019594    87  ILE   C HG13 
4977 H HG21 . ILE   C 75  ? 0.213868  0.21767   0.206675  -0.0356637  0.00510665  0.0271831   87  ILE   C HG21 
4978 H HG22 . ILE   C 75  ? 0.213887  0.217337  0.206977  -0.0344868  0.00527377  0.027918    87  ILE   C HG22 
4979 H HG23 . ILE   C 75  ? 0.212568  0.215896  0.205751  -0.0357274  0.00527874  0.028414    87  ILE   C HG23 
4980 H HD11 . ILE   C 75  ? 0.221622  0.210122  0.206297  -0.0256969  0.013537    0.0233047   87  ILE   C HD11 
4981 H HD12 . ILE   C 75  ? 0.220187  0.208599  0.204753  -0.0271135  0.0137011   0.023914    87  ILE   C HD12 
4982 H HD13 . ILE   C 75  ? 0.22057   0.209627  0.205791  -0.0264543  0.0129588   0.022797    87  ILE   C HD13 
4983 N N    . LYS   C 76  ? 0.171792  0.207147  0.224556  -0.05645    0.0211893   -0.0128753  88  LYS   C N    
4984 C CA   . LYS   C 76  ? 0.19094   0.195731  0.216765  -0.081801   0.00966693  -0.00312043 88  LYS   C CA   
4985 C C    . LYS   C 76  ? 0.17812   0.1931    0.2203    -0.0589554  0.00772874  0.00085568  88  LYS   C C    
4986 O O    . LYS   C 76  ? 0.212368  0.206759  0.248892  -0.0463831  0.00329742  0.00451982  88  LYS   C O    
4987 C CB   . LYS   C 76  ? 0.216817  0.240374  0.264352  -0.11465    0.0226953   -0.0274836  88  LYS   C CB   
4988 H H    . LYS   C 76  ? 0.176738  0.202729  0.210254  -0.0566344  0.0180979   -0.0029358  88  LYS   C H    
4989 H HA   . LYS   C 76  ? 0.189758  0.203841  0.223147  -0.0664034  0.0119319   -0.00646342 88  LYS   C HA   
4990 H HB2  . LYS   C 76  ? 0.238358  0.238358  0.238358  0           0           0           88  LYS   C HB2  
4991 H HB3  . LYS   C 76  ? 0.238358  0.238358  0.238358  0           0           0           88  LYS   C HB3  
4992 N N    . ALA   C 77  ? 0.194052  0.201313  0.198824  -0.0468054  -0.00925702 0.0117884   89  ALA   C N    
4993 C CA   . ALA   C 77  ? 0.134724  0.214429  0.184212  -0.0321397  0.0113273   0.0236053   89  ALA   C CA   
4994 C C    . ALA   C 77  ? 0.143097  0.228959  0.181186  -0.0421846  0.021272    0.0162174   89  ALA   C C    
4995 O O    . ALA   C 77  ? 0.187678  0.237366  0.149926  -0.0595081  0.0178479   0.00932611  89  ALA   C O    
4996 C CB   . ALA   C 77  ? 0.110153  0.219915  0.187661  -0.0189642  0.00443333  0.0243211   89  ALA   C CB   
4997 H H    . ALA   C 77  ? 0.181794  0.203557  0.203205  -0.0420416  -0.0023775  0.0124996   89  ALA   C H    
4998 H HA   . ALA   C 77  ? 0.147129  0.211875  0.186345  -0.0294035  0.00837559  0.0184953   89  ALA   C HA   
4999 H HB1  . ALA   C 77  ? 0.121313  0.213002  0.185809  -0.0211632  0.0079515   0.0219873   89  ALA   C HB1  
5000 H HB2  . ALA   C 77  ? 0.124886  0.213208  0.185419  -0.0198135  0.00751703  0.0213972   89  ALA   C HB2  
5001 H HB3  . ALA   C 77  ? 0.124915  0.213743  0.186215  -0.0197508  0.00758724  0.0215141   89  ALA   C HB3  
5002 N N    . TRP   C 78  ? 0.115993  0.23266   0.171862  -0.048878   0.0415531   0.0166717   90  TRP   C N    
5003 C CA   . TRP   C 78  ? 0.124857  0.216602  0.159437  -0.0526562  0.0526814   0.0158109   90  TRP   C CA   
5004 C C    . TRP   C 78  ? 0.144817  0.194127  0.15555   -0.0394666  0.0336718   0.00271155  90  TRP   C C    
5005 O O    . TRP   C 78  ? 0.150132  0.21853   0.162677  -0.0363886  0.037599    0.0210134   90  TRP   C O    
5006 C CB   . TRP   C 78  ? 0.133902  0.209558  0.144492  -0.0482246  0.0441785   0.0137452   90  TRP   C CB   
5007 C CG   . TRP   C 78  ? 0.122639  0.195703  0.144955  -0.0460059  0.0402395   0.0100989   90  TRP   C CG   
5008 C CD1  . TRP   C 78  ? 0.11795   0.200398  0.15298   -0.0421732  0.0340155   0.00042272  90  TRP   C CD1  
5009 C CD2  . TRP   C 78  ? 0.126061  0.190438  0.120706  -0.0409647  0.0496052   0.00113207  90  TRP   C CD2  
5010 N NE1  . TRP   C 78  ? 0.122263  0.196698  0.167128  -0.018364   0.0241621   -0.00442278 90  TRP   C NE1  
5011 C CE2  . TRP   C 78  ? 0.11672   0.198394  0.121769  -0.0330451  0.0556518   0.0020569   90  TRP   C CE2  
5012 C CE3  . TRP   C 78  ? 0.136229  0.184019  0.130403  -0.0329385  0.0487232   0.00296608  90  TRP   C CE3  
5013 C CZ2  . TRP   C 78  ? 0.140507  0.20909   0.123404  -0.0293772  0.0483664   0.00970465  90  TRP   C CZ2  
5014 C CZ3  . TRP   C 78  ? 0.127794  0.196617  0.14957   -0.0343532  0.0500697   0.00718397  90  TRP   C CZ3  
5015 C CH2  . TRP   C 78  ? 0.132141  0.205962  0.136826  -0.0385293  0.059985    0.0237934   90  TRP   C CH2  
5016 H H    . TRP   C 78  ? 0.131706  0.221783  0.170383  -0.0410154  0.0363873   0.0150387   90  TRP   C H    
5017 H HA   . TRP   C 78  ? 0.134194  0.208917  0.159499  -0.041773   0.0406802   0.0124361   90  TRP   C HA   
5018 H HB2  . TRP   C 78  ? 0.133194  0.202809  0.148244  -0.0420461  0.0414001   0.012683    90  TRP   C HB2  
5019 H HB3  . TRP   C 78  ? 0.135268  0.202737  0.149479  -0.0418404  0.0407889   0.0119736   90  TRP   C HB3  
5020 H HD1  . TRP   C 78  ? 0.121806  0.193496  0.153852  -0.0340823  0.0299463   0.00155755  90  TRP   C HD1  
5021 H HE1  . TRP   C 78  ? 0.124116  0.193066  0.152946  -0.0216012  0.0304669   -0.00010504 90  TRP   C HE1  
5022 H HE3  . TRP   C 78  ? 0.133286  0.182852  0.134365  -0.0294003  0.0438807   0.00395437  90  TRP   C HE3  
5023 H HZ2  . TRP   C 78  ? 0.135745  0.200715  0.13052   -0.0276152  0.0475287   0.0100292   90  TRP   C HZ2  
5024 H HZ3  . TRP   C 78  ? 0.132391  0.191977  0.143638  -0.0302435  0.0459877   0.00887355  90  TRP   C HZ3  
5025 H HH2  . TRP   C 78  ? 0.136089  0.198765  0.139346  -0.0307097  0.0490129   0.0146295   90  TRP   C HH2  
5026 N N    . ASP   C 79  ? 0.173962  0.188163  0.152564  -0.0394581  0.0108067   -0.00399181 91  ASP   C N    
5027 C CA   . ASP   C 79  ? 0.156406  0.208291  0.190017  -0.0287572  0.0255866   0.00578441  91  ASP   C CA   
5028 C C    . ASP   C 79  ? 0.155471  0.208339  0.229692  -0.0444021  0.0126539   -0.0260627  91  ASP   C C    
5029 O O    . ASP   C 79  ? 0.119131  0.298949  0.278405  -0.0455746  0.0286604   -0.0399478  91  ASP   C O    
5030 C CB   . ASP   C 79  ? 0.219676  0.209374  0.23494   -0.0345473  0.00891232  0.00755379  91  ASP   C CB   
5031 C CG   . ASP   C 79  ? 0.270206  0.218693  0.245729  -0.0371833  0.0171835   0.0232698   91  ASP   C CG   
5032 O OD1  . ASP   C 79  ? 0.262948  0.226324  0.218154  -0.0384582  0.00322391  -0.0238823  91  ASP   C OD1  
5033 O OD2  . ASP   C 79  ? 0.247503  0.240602  0.310056  -0.0280253  0.0739426   0.0273078   91  ASP   C OD2  
5034 H H    . ASP   C 79  ? 0.16659   0.191419  0.165106  -0.0326046  0.0154212   0.00038302  91  ASP   C H    
5035 H HA   . ASP   C 79  ? 0.167487  0.201768  0.193241  -0.0314124  0.0156589   -0.00130711 91  ASP   C HA   
5036 H HB2  . ASP   C 79  ? 0.216665  0.213185  0.223283  -0.0288712  0.0128613   0.00875856  91  ASP   C HB2  
5037 H HB3  . ASP   C 79  ? 0.212359  0.213659  0.223623  -0.0292275  0.0136012   0.00884731  91  ASP   C HB3  
5038 N N    . ILE   C 80  ? 0.196063  0.197739  0.216745  -0.048493   -0.0194642  -0.00796755 92  ILE   C N    
5039 C CA   . ILE   C 80  ? 0.204016  0.22037   0.19986   -0.0438814  0.00501719  -0.0244284  92  ILE   C CA   
5040 C C    . ILE   C 80  ? 0.206507  0.200645  0.214952  -0.0270876  0.00439101  -0.00990051 92  ILE   C C    
5041 O O    . ILE   C 80  ? 0.259577  0.248223  0.204766  -0.00542317 0.0131628   -0.0230256  92  ILE   C O    
5042 C CB   . ILE   C 80  ? 0.237496  0.26245   0.236102  -0.065544   -0.0129004  -0.019422   92  ILE   C CB   
5043 C CG1  . ILE   C 80  ? 0.249594  0.28985   0.245661  -0.0746103  0.0231554   -0.0246323  92  ILE   C CG1  
5044 C CG2  . ILE   C 80  ? 0.271217  0.309392  0.259671  -0.0560658  -0.0234737  -0.0406347  92  ILE   C CG2  
5045 C CD1  . ILE   C 80  ? 0.253261  0.293844  0.251762  -0.051316   0.00821441  -0.00767756 92  ILE   C CD1  
5046 H H    . ILE   C 80  ? 0.195068  0.208167  0.217016  -0.0427727  -0.00795937 -0.0120904  92  ILE   C H    
5047 H HA   . ILE   C 80  ? 0.206213  0.216878  0.211359  -0.0384247  -0.00166406 -0.015605   92  ILE   C HA   
5048 H HB   . ILE   C 80  ? 0.237804  0.264819  0.235009  -0.0538202  -0.00389576 -0.0206368  92  ILE   C HB   
5049 H HG12 . ILE   C 80  ? 0.248659  0.281532  0.247883  -0.0582822  0.0100406   -0.0167079  92  ILE   C HG12 
5050 H HG13 . ILE   C 80  ? 0.248801  0.279903  0.251007  -0.0578701  0.0118179   -0.0168503  92  ILE   C HG13 
5051 H HG21 . ILE   C 80  ? 0.267632  0.294741  0.256093  -0.0501441  -0.0164265  -0.0295131  92  ILE   C HG21 
5052 H HG22 . ILE   C 80  ? 0.264157  0.296488  0.256515  -0.0515405  -0.0175454  -0.02884    92  ILE   C HG22 
5053 H HG23 . ILE   C 80  ? 0.263794  0.299274  0.257964  -0.0481848  -0.0181614  -0.0328369  92  ILE   C HG23 
5054 H HD11 . ILE   C 80  ? 0.253329  0.290856  0.25235   -0.0505733  0.0105163   -0.0105809  92  ILE   C HD11 
5055 H HD12 . ILE   C 80  ? 0.253301  0.290358  0.25227   -0.0501741  0.0105653   -0.0113655  92  ILE   C HD12 
5056 H HD13 . ILE   C 80  ? 0.253184  0.290049  0.25161   -0.0503377  0.01024     -0.0112216  92  ILE   C HD13 
5057 N N    . GLY   C 81  ? 0.220576  0.213579  0.208761  -0.045374   -0.012199   -0.0127826  93  GLY   C N    
5058 C CA   . GLY   C 81  ? 0.207631  0.203409  0.163386  -0.0214128  0.00889307  -0.00974131 93  GLY   C CA   
5059 C C    . GLY   C 81  ? 0.212163  0.191571  0.162399  -0.0215298  0.0050934   -0.00842798 93  GLY   C C    
5060 O O    . GLY   C 81  ? 0.223151  0.220175  0.144439  -0.0226487  0.00909424  0.00167195  93  GLY   C O    
5061 H H    . GLY   C 81  ? 0.214822  0.210946  0.207397  -0.0317269  -0.00471063 -0.0074745  93  GLY   C H    
5062 H HA2  . GLY   C 81  ? 0.208091  0.202531  0.174184  -0.0228433  0.00323974  -0.00969809 93  GLY   C HA2  
5063 H HA3  . GLY   C 81  ? 0.207455  0.200456  0.174901  -0.0216576  0.00444999  -0.0092141  93  GLY   C HA3  
5064 N N    . VAL   C 82  ? 0.181055  0.187794  0.158148  -0.0166149  0.0181404   -0.00210254 94  VAL   C N    
5065 C CA   . VAL   C 82  ? 0.169562  0.189037  0.135548  -0.0345194  0.046002    0.0122607   94  VAL   C CA   
5066 C C    . VAL   C 82  ? 0.201922  0.190977  0.149757  -0.0281242  0.0423883   0.0165755   94  VAL   C C    
5067 O O    . VAL   C 82  ? 0.186037  0.189897  0.152054  -0.0153869  0.0492712   0.0198156   94  VAL   C O    
5068 C CB   . VAL   C 82  ? 0.195393  0.219522  0.148741  -0.0235811  0.0234596   0.0135249   94  VAL   C CB   
5069 C CG1  . VAL   C 82  ? 0.224342  0.250428  0.177348  -0.0335179  -0.0070272  0.00040222  94  VAL   C CG1  
5070 C CG2  . VAL   C 82  ? 0.214804  0.22721   0.152096  -0.0127274  -0.00567158 -0.00159271 94  VAL   C CG2  
5071 H H    . VAL   C 82  ? 0.185037  0.188853  0.158879  -0.0193276  0.0183982   4.321e-05   94  VAL   C H    
5072 H HA   . VAL   C 82  ? 0.179467  0.18795   0.145113  -0.0245977  0.0327523   0.0123847   94  VAL   C HA   
5073 H HB   . VAL   C 82  ? 0.196555  0.214289  0.154635  -0.0225773  0.0176557   0.00988795  94  VAL   C HB   
5074 H HG11 . VAL   C 82  ? 0.215623  0.242816  0.179153  -0.0258561  0.00332507  0.00108593  94  VAL   C HG11 
5075 H HG12 . VAL   C 82  ? 0.216495  0.242496  0.176059  -0.0281596  0.00387153  0.00489159  94  VAL   C HG12 
5076 H HG13 . VAL   C 82  ? 0.215225  0.239883  0.175573  -0.0264594  0.00363355  0.00363115  94  VAL   C HG13 
5077 H HG21 . VAL   C 82  ? 0.20784   0.222189  0.154963  -0.0140061  0.00286499  0.001628    94  VAL   C HG21 
5078 H HG22 . VAL   C 82  ? 0.211132  0.22254   0.157497  -0.0127677  0.00377247  0.00258704  94  VAL   C HG22 
5079 H HG23 . VAL   C 82  ? 0.208326  0.224131  0.158934  -0.0134122  0.00382385  0.0012399   94  VAL   C HG23 
5080 N N    . ALA   C 83  ? 0.238591  0.195477  0.157352  -0.00400348 0.0423905   0.0193556   95  ALA   C N    
5081 C CA   . ALA   C 83  ? 0.239063  0.193139  0.176766  0.0151349   0.0391804   0.0159617   95  ALA   C CA   
5082 C C    . ALA   C 83  ? 0.255528  0.210982  0.192728  0.036004    0.0345781   0.0160249   95  ALA   C C    
5083 O O    . ALA   C 83  ? 0.286463  0.261825  0.200835  0.0449516   0.0709146   0.036146    95  ALA   C O    
5084 C CB   . ALA   C 83  ? 0.321427  0.208617  0.2116    0.0189645   0.0374488   0.0201875   95  ALA   C CB   
5085 H H    . ALA   C 83  ? 0.225257  0.195351  0.165634  -0.00480522 0.0355055   0.0156681   95  ALA   C H    
5086 H HA   . ALA   C 83  ? 0.240256  0.201155  0.183261  0.0136997   0.032837    0.0157766   95  ALA   C HA   
5087 H HB1  . ALA   C 83  ? 0.286358  0.212317  0.212509  0.015497    0.0351066   0.0172184   95  ALA   C HB1  
5088 H HB2  . ALA   C 83  ? 0.293949  0.211688  0.208639  0.0155924   0.0369525   0.0176468   95  ALA   C HB2  
5089 H HB3  . ALA   C 83  ? 0.28791   0.214623  0.209364  0.014046    0.0343146   0.0192964   95  ALA   C HB3  
5090 N N    . THR   C 84  ? 0.254362  0.189361  0.179746  0.0109376   0.014519    2.526e-05   96  THR   C N    
5091 C CA   . THR   C 84  ? 0.280909  0.199878  0.172614  -0.00295969 0.00394062  -0.0303526  96  THR   C CA   
5092 C C    . THR   C 84  ? 0.286487  0.191731  0.160348  0.0129428   0.0138254   -0.0302995  96  THR   C C    
5093 O O    . THR   C 84  ? 0.311398  0.235422  0.172529  -0.00642753 0.0264114   -0.0211282  96  THR   C O    
5094 C CB   . THR   C 84  ? 0.31437   0.259371  0.185774  -0.014224   -0.0171382  -0.014823   96  THR   C CB   
5095 O OG1  . THR   C 84  ? 0.306328  0.24864   0.194478  -0.0260791  -0.0208649  -0.0263443  96  THR   C OG1  
5096 C CG2  . THR   C 84  ? 0.330238  0.28608   0.23923   -0.0518067  -0.00920386 -0.0318764  96  THR   C CG2  
5097 H H    . THR   C 84  ? 0.253553  0.200535  0.184381  0.0117625   0.0161521   -0.00175607 96  THR   C H    
5098 H HA   . THR   C 84  ? 0.273456  0.205945  0.179785  0.00395025  0.00687638  -0.0182474  96  THR   C HA   
5099 H HB   . THR   C 84  ? 0.301455  0.25123   0.196426  -0.0165484  -0.00845949 -0.0189466  96  THR   C HB   
5100 H HG1  . THR   C 84  ? 0.250137  0.250137  0.250137  0           0           0           96  THR   C HG1  
5101 H HG21 . THR   C 84  ? 0.323934  0.280713  0.233262  -0.0345326  -0.0071093  -0.0211995  96  THR   C HG21 
5102 H HG22 . THR   C 84  ? 0.319747  0.279518  0.238809  -0.0332673  -0.00805837 -0.0203899  96  THR   C HG22 
5103 H HG23 . THR   C 84  ? 0.321277  0.284269  0.233126  -0.0352514  -0.00876238 -0.0198414  96  THR   C HG23 
5104 N N    . MET   C 85  ? 0.252266  0.199213  0.183681  -0.00426484 0.00797451  -0.0106683  97  MET   C N    
5105 C CA   . MET   C 85  ? 0.243545  0.179356  0.158279  0.011869    0.014243    -0.00505638 97  MET   C CA   
5106 C C    . MET   C 85  ? 0.235044  0.182577  0.134813  0.0248291   0.0136289   -0.0064911  97  MET   C C    
5107 O O    . MET   C 85  ? 0.259193  0.196698  0.154872  0.0505738   0.0367955   0.00817584  97  MET   C O    
5108 C CB   . MET   C 85  ? 0.200785  0.162926  0.186187  0.0108236   0.0129904   -0.00792145 97  MET   C CB   
5109 C CG   . MET   C 85  ? 0.192092  0.17213   0.188071  -0.0126933  0.0284338   0.00293396  97  MET   C CG   
5110 S SD   . MET   C 85  ? 0.188704  0.191464  0.17658   0.00019377  0.0471719   0.0142479   97  MET   C SD   
5111 C CE   . MET   C 85  ? 0.229319  0.161062  0.18353   0.014576    0.0220499   0.0185118   97  MET   C CE   
5112 H H    . MET   C 85  ? 0.251771  0.196746  0.182456  0.00424169  0.0116533   -0.0118791  97  MET   C H    
5113 H HA   . MET   C 85  ? 0.229946  0.184048  0.16681   0.0107346   0.0125008   -0.00472846 97  MET   C HA   
5114 H HB2  . MET   C 85  ? 0.204543  0.172255  0.181318  0.00488014  0.0161419   -0.00373836 97  MET   C HB2  
5115 H HB3  . MET   C 85  ? 0.20474   0.172033  0.180902  0.00530473  0.01588     -0.00366823 97  MET   C HB3  
5116 H HG2  . MET   C 85  ? 0.192137  0.175329  0.186175  -0.00468631 0.0260076   0.00208802  97  MET   C HG2  
5117 H HG3  . MET   C 85  ? 0.190852  0.172571  0.184783  -0.00625819 0.0260662   0.00319378  97  MET   C HG3  
5118 H HE1  . MET   C 85  ? 0.215462  0.17119   0.182248  0.0098323   0.0253952   0.0141714   97  MET   C HE1  
5119 H HE2  . MET   C 85  ? 0.219511  0.17236   0.183048  0.00904851  0.024437    0.0151038   97  MET   C HE2  
5120 H HE3  . MET   C 85  ? 0.215627  0.17223   0.182153  0.00982099  0.0247525   0.015189    97  MET   C HE3  
5121 N N    . LYS   C 86  ? 0.231765  0.192146  0.164976  0.0243028   0.0356842   0.00032379  98  LYS   C N    
5122 C CA   . LYS   C 86  ? 0.223946  0.225346  0.167784  0.0251412   0.0422105   -0.00574518 98  LYS   C CA   
5123 C C    . LYS   C 86  ? 0.205756  0.204357  0.198657  0.018093    0.0854519   0.0144517   98  LYS   C C    
5124 O O    . LYS   C 86  ? 0.217587  0.21268   0.20569   -0.00389651 0.0961679   0.0002959   98  LYS   C O    
5125 C CB   . LYS   C 86  ? 0.254731  0.264724  0.1787    0.0200731   0.0454816   -0.00761109 98  LYS   C CB   
5126 C CG   . LYS   C 86  ? 0.355641  0.302048  0.188773  0.0397072   0.0597744   -0.0549085  98  LYS   C CG   
5127 C CD   . LYS   C 86  ? 0.454962  0.367021  0.226241  0.0431519   0.0826708   -0.0495028  98  LYS   C CD   
5128 C CE   . LYS   C 86  ? 0.551858  0.347086  0.230265  0.0498968   0.0630919   -0.109079   98  LYS   C CE   
5129 N NZ   . LYS   C 86  ? 0.654003  0.445245  0.391012  0.0764289   0.11126     -0.0456666  98  LYS   C NZ   
5130 H H    . LYS   C 86  ? 0.227233  0.198541  0.163273  0.0209085   0.029535    -0.00187097 98  LYS   C H    
5131 H HA   . LYS   C 86  ? 0.223755  0.219717  0.178007  0.0198452   0.0452515   -0.00047304 98  LYS   C HA   
5132 H HB2  . LYS   C 86  ? 0.258471  0.25791   0.185019  0.0224342   0.0436169   -0.0129849  98  LYS   C HB2  
5133 H HB3  . LYS   C 86  ? 0.254714  0.257991  0.184971  0.0218294   0.0442848   -0.012965   98  LYS   C HB3  
5134 H HG2  . LYS   C 86  ? 0.335627  0.301942  0.204659  0.0308369   0.0555905   -0.0344159  98  LYS   C HG2  
5135 H HG3  . LYS   C 86  ? 0.339283  0.300373  0.205116  0.0336233   0.0531929   -0.0345475  98  LYS   C HG3  
5136 H HD2  . LYS   C 86  ? 0.436151  0.354793  0.236738  0.0384262   0.0688967   -0.0530246  98  LYS   C HD2  
5137 H HD3  . LYS   C 86  ? 0.437042  0.349932  0.237514  0.0408232   0.0685488   -0.0514367  98  LYS   C HD3  
5138 H HE2  . LYS   C 86  ? 0.523428  0.372628  0.272495  0.0508554   0.0734612   -0.0666334  98  LYS   C HE2  
5139 H HE3  . LYS   C 86  ? 0.525109  0.372452  0.27243   0.050361    0.0732275   -0.0665779  98  LYS   C HE3  
5140 H HZ1  . LYS   C 86  ? 0.613227  0.425367  0.348712  0.0603351   0.0874924   -0.0538332  98  LYS   C HZ1  
5141 H HZ2  . LYS   C 86  ? 0.603056  0.433645  0.350982  0.0619327   0.0894959   -0.0583848  98  LYS   C HZ2  
5142 H HZ3  . LYS   C 86  ? 0.610929  0.434379  0.35266   0.0718512   0.0941374   -0.0478418  98  LYS   C HZ3  
5143 N N    A LYS   C 87  ? 0.184698  0.21412   0.191394  0.0290145   0.109531    0.021566    99  LYS   C N    
5144 N N    B LYS   C 87  ? 0.191275  0.224947  0.18018   0.030043    0.109582    0.0137795   99  LYS   C N    
5145 C CA   A LYS   C 87  ? 0.182596  0.21883   0.216708  0.0235895   0.114399    0.0204093   99  LYS   C CA   
5146 C CA   B LYS   C 87  ? 0.20529   0.239899  0.196677  0.0246253   0.11249     0.00567325  99  LYS   C CA   
5147 C C    A LYS   C 87  ? 0.236906  0.223196  0.192963  -0.0030354  0.126544    0.0316903   99  LYS   C C    
5148 C C    B LYS   C 87  ? 0.246106  0.237756  0.182791  -0.00312836 0.127292    0.0215333   99  LYS   C C    
5149 O O    A LYS   C 87  ? 0.282635  0.23702   0.189603  -0.00095389 0.108493    0.00678939  99  LYS   C O    
5150 O O    B LYS   C 87  ? 0.279211  0.247759  0.182999  -0.00442113 0.119787    -0.0023818  99  LYS   C O    
5151 C CB   A LYS   C 87  ? 0.177849  0.233976  0.237128  0.0216724   0.134441    0.0331788   99  LYS   C CB   
5152 C CB   B LYS   C 87  ? 0.213671  0.277134  0.198306  0.0278207   0.129556    0.004254    99  LYS   C CB   
5153 C CG   A LYS   C 87  ? 0.176516  0.231671  0.260617  0.0263538   0.124065    0.0242427   99  LYS   C CG   
5154 C CG   B LYS   C 87  ? 0.245012  0.310179  0.193023  0.0351204   0.109454    -0.0174772  99  LYS   C CG   
5155 C CD   A LYS   C 87  ? 0.180934  0.27037   0.328211  0.023366    0.112609    0.0296506   99  LYS   C CD   
5156 C CD   B LYS   C 87  ? 0.260687  0.312162  0.228884  0.0387311   0.0928171   -0.0233078  99  LYS   C CD   
5157 C CE   A LYS   C 87  ? 0.209519  0.298019  0.378358  0.0438353   0.0955278   0.0174998   99  LYS   C CE   
5158 C CE   B LYS   C 87  ? 0.270993  0.312931  0.193144  0.0323826   0.0831224   -0.0428893  99  LYS   C CE   
5159 N NZ   A LYS   C 87  ? 0.198538  0.367521  0.412345  0.0220915   0.101973    0.0226311   99  LYS   C NZ   
5160 N NZ   B LYS   C 87  ? 0.278117  0.313314  0.187785  0.053593    0.0918677   -0.0372458  99  LYS   C NZ   
5161 H H    A LYS   C 87  ? 0.18867   0.209351  0.19773   0.0232129   0.0925425   0.0161084   99  LYS   C H    
5162 H H    B LYS   C 87  ? 0.196514  0.218537  0.189024  0.0238202   0.0919712   0.00984542  99  LYS   C H    
5163 H HA   A LYS   C 87  ? 0.192646  0.220187  0.210703  0.016853    0.104302    0.0216969   99  LYS   C HA   
5164 H HA   B LYS   C 87  ? 0.210389  0.239637  0.193533  0.0185879   0.103317    0.00873241  99  LYS   C HA   
5165 H HB2  A LYS   C 87  ? 0.182602  0.229205  0.233969  0.020284    0.112505    0.0241541   99  LYS   C HB2  
5166 H HB2  B LYS   C 87  ? 0.219525  0.268849  0.199867  0.0254359   0.10676     -0.00066146 99  LYS   C HB2  
5167 H HB3  A LYS   C 87  ? 0.181817  0.229115  0.229833  0.0204467   0.113967    0.0238988   99  LYS   C HB3  
5168 H HB3  B LYS   C 87  ? 0.219611  0.269047  0.200729  0.0249803   0.106496    8.509e-05   99  LYS   C HB3  
5169 H HG2  A LYS   C 87  ? 0.183471  0.237871  0.261867  0.0220047   0.110328    0.0251564   99  LYS   C HG2  
5170 H HG2  B LYS   C 87  ? 0.242401  0.293948  0.204576  0.0311219   0.0980682   -0.0143415  99  LYS   C HG2  
5171 H HG3  A LYS   C 87  ? 0.18228   0.238625  0.256824  0.0222463   0.111737    0.023297    99  LYS   C HG3  
5172 H HG3  B LYS   C 87  ? 0.244013  0.297752  0.208421  0.0313215   0.096783    -0.0117991  99  LYS   C HG3  
5173 H HD2  A LYS   C 87  ? 0.196814  0.267142  0.313433  0.0256943   0.0995884   0.0220741   99  LYS   C HD2  
5174 H HD2  B LYS   C 87  ? 0.263487  0.307245  0.224391  0.0315556   0.0802422   -0.0219445  99  LYS   C HD2  
5175 H HD3  A LYS   C 87  ? 0.197347  0.266279  0.315366  0.0254955   0.098222    0.0233601   99  LYS   C HD3  
5176 H HD3  B LYS   C 87  ? 0.263128  0.30788   0.220883  0.0321271   0.0821326   -0.0217797  99  LYS   C HD3  
5177 H HE2  A LYS   C 87  ? 0.215504  0.305758  0.363887  0.0316373   0.090787    0.0196427   99  LYS   C HE2  
5178 H HE2  B LYS   C 87  ? 0.268055  0.305155  0.203914  0.0331972   0.0775799   -0.0317047  99  LYS   C HE2  
5179 H HE3  A LYS   C 87  ? 0.215978  0.305574  0.364989  0.0312817   0.0897174   0.0202776   99  LYS   C HE3  
5180 H HE3  B LYS   C 87  ? 0.270197  0.302182  0.205687  0.0322797   0.0746128   -0.0342083  99  LYS   C HE3  
5181 H HZ1  A LYS   C 87  ? 0.224329  0.345652  0.397102  0.0281613   0.0890409   0.0198656   99  LYS   C HZ1  
5182 H HZ1  B LYS   C 87  ? 0.275738  0.306751  0.198966  0.0412449   0.0773556   -0.0321324  99  LYS   C HZ1  
5183 H HZ2  A LYS   C 87  ? 0.223865  0.349805  0.397198  0.0282324   0.0903151   0.0161978   99  LYS   C HZ2  
5184 H HZ2  B LYS   C 87  ? 0.273183  0.30644   0.19434   0.0411579   0.0804176   -0.0324971  99  LYS   C HZ2  
5185 H HZ3  A LYS   C 87  ? 0.223997  0.345242  0.394712  0.0282439   0.0900606   0.0191726   99  LYS   C HZ3  
5186 H HZ3  B LYS   C 87  ? 0.275672  0.305772  0.198496  0.0411885   0.0772208   -0.0320476  99  LYS   C HZ3  
5187 N N    . GLY   C 88  ? 0.238228  0.235841  0.192304  -0.00377797 0.127856    0.0312602   100 GLY   C N    
5188 C CA   . GLY   C 88  ? 0.265537  0.242311  0.19233   -0.00095085 0.10582     0.0229168   100 GLY   C CA   
5189 C C    . GLY   C 88  ? 0.238311  0.229904  0.17044   0.0036477   0.103526    0.03328     100 GLY   C C    
5190 O O    . GLY   C 88  ? 0.274694  0.237812  0.214837  -0.0141528  0.103079    0.0372951   100 GLY   C O    
5191 H H    A GLY   C 88  ? 0.240014  0.233854  0.194012  -0.00210043 0.10883     0.0261988   100 GLY   C H    
5192 H H    B GLY   C 88  ? 0.242139  0.237067  0.192975  -0.00207801 0.108835    0.0240208   100 GLY   C H    
5193 H HA2  . GLY   C 88  ? 0.250287  0.238659  0.194347  0.00061776  0.0967198   0.0231327   100 GLY   C HA2  
5194 H HA3  . GLY   C 88  ? 0.251208  0.238602  0.195973  0.00046489  0.0951874   0.0235686   100 GLY   C HA3  
5195 N N    . GLU   C 89  ? 0.239685  0.222912  0.16288   0.0175044   0.0571867   0.0247426   101 GLU   C N    
5196 C CA   . GLU   C 89  ? 0.222002  0.219971  0.179322  -0.00670721 0.0544407   0.0284152   101 GLU   C CA   
5197 C C    . GLU   C 89  ? 0.210247  0.209828  0.171016  -0.00712601 0.036579    0.0280047   101 GLU   C C    
5198 O O    . GLU   C 89  ? 0.177795  0.219135  0.169304  0.0070561   0.0364047   0.0217636   101 GLU   C O    
5199 C CB   . GLU   C 89  ? 0.215992  0.215146  0.171304  0.00726277  0.0657041   0.0254426   101 GLU   C CB   
5200 C CG   . GLU   C 89  ? 0.227135  0.199478  0.169671  0.00380363  0.0659771   0.0173551   101 GLU   C CG   
5201 C CD   . GLU   C 89  ? 0.235702  0.220371  0.194797  1.153e-05   0.0493088   0.0170404   101 GLU   C CD   
5202 O OE1  . GLU   C 89  ? 0.245845  0.20949   0.209215  0.0325654   0.0368383   0.0039425   101 GLU   C OE1  
5203 O OE2  . GLU   C 89  ? 0.250533  0.256952  0.159949  -0.0324268  0.0391396   0.0279491   101 GLU   C OE2  
5204 H H    . GLU   C 89  ? 0.230583  0.220353  0.174069  0.00937053  0.0606936   0.0258285   101 GLU   C H    
5205 H HA   . GLU   C 89  ? 0.220393  0.21822   0.179747  0.00082259  0.048227    0.0231086   101 GLU   C HA   
5206 H HB2  . GLU   C 89  ? 0.215665  0.211238  0.175642  0.00458758  0.0569123   0.0201558   101 GLU   C HB2  
5207 H HB3  . GLU   C 89  ? 0.216494  0.211859  0.175419  0.00363239  0.056333    0.021391    101 GLU   C HB3  
5208 H HG2  . GLU   C 89  ? 0.220395  0.206631  0.176314  0.00526664  0.0568698   0.0155039   101 GLU   C HG2  
5209 H HG3  . GLU   C 89  ? 0.222729  0.207328  0.176242  0.00420396  0.0553902   0.017649    101 GLU   C HG3  
5210 N N    . ILE   C 90  ? 0.25639   0.215788  0.142046  0.00283875  0.0457937   0.040845    102 ILE   C N    
5211 C CA   . ILE   C 90  ? 0.238416  0.196618  0.162463  0.00603845  0.0218107   0.0138384   102 ILE   C CA   
5212 C C    . ILE   C 90  ? 0.275817  0.216946  0.162132  -0.00366506 0.00228837  0.00770531  102 ILE   C C    
5213 O O    . ILE   C 90  ? 0.275616  0.255623  0.181731  -0.00976183 -0.0135654  -0.0195832  102 ILE   C O    
5214 C CB   . ILE   C 90  ? 0.274384  0.192929  0.167404  -0.00490862 0.0345014   0.0113007   102 ILE   C CB   
5215 C CG1  . ILE   C 90  ? 0.318428  0.218365  0.195986  -0.0087602  0.0126646   -0.0007415  102 ILE   C CG1  
5216 C CG2  . ILE   C 90  ? 0.295586  0.160563  0.190888  0.00621189  0.0476054   0.0129774   102 ILE   C CG2  
5217 C CD1  . ILE   C 90  ? 0.342283  0.224884  0.227517  -0.0110538  0.0107537   0.0131436   102 ILE   C CD1  
5218 H H    . ILE   C 90  ? 0.235174  0.210739  0.15038   0.00183827  0.0352195   0.0294993   102 ILE   C H    
5219 H HA   . ILE   C 90  ? 0.245821  0.204559  0.165837  0.00242206  0.023662    0.015512    102 ILE   C HA   
5220 H HB   . ILE   C 90  ? 0.26983   0.197156  0.176149  0.00031893  0.0280332   0.0110367   102 ILE   C HB   
5221 H HG12 . ILE   C 90  ? 0.302032  0.219303  0.20205   -0.0058052  0.0177309   0.00644607  102 ILE   C HG12 
5222 H HG13 . ILE   C 90  ? 0.304653  0.220127  0.202466  -0.00684104 0.0166505   0.0069523   102 ILE   C HG13 
5223 H HG21 . ILE   C 90  ? 0.280788  0.172315  0.189764  0.00446527  0.0396656   0.0130605   102 ILE   C HG21 
5224 H HG22 . ILE   C 90  ? 0.280521  0.178295  0.191348  0.00445531  0.0399849   0.0120358   102 ILE   C HG22 
5225 H HG23 . ILE   C 90  ? 0.280396  0.178492  0.189455  0.00451683  0.0397838   0.0124835   102 ILE   C HG23 
5226 H HD11 . ILE   C 90  ? 0.327045  0.230861  0.228335  -0.00765325 0.0123372   0.00870863  102 ILE   C HD11 
5227 H HD12 . ILE   C 90  ? 0.327244  0.230937  0.225755  -0.00734129 0.012209    0.00920369  102 ILE   C HD12 
5228 H HD13 . ILE   C 90  ? 0.32834   0.231064  0.226325  -0.00873023 0.0109777   0.0101103   102 ILE   C HD13 
5229 N N    . ALA   C 91  ? 0.238246  0.200848  0.106534  -0.0088625  0.00143097  -0.0206625  103 ALA   C N    
5230 C CA   . ALA   C 91  ? 0.23578   0.210839  0.129661  -0.00168179 0.00208506  -0.00073778 103 ALA   C CA   
5231 C C    . ALA   C 91  ? 0.222463  0.200891  0.139176  0.00616682  -0.0158219  0.00687194  103 ALA   C C    
5232 O O    . ALA   C 91  ? 0.212956  0.213365  0.154049  0.00711238  -0.0304485  0.00129546  103 ALA   C O    
5233 C CB   . ALA   C 91  ? 0.253141  0.232907  0.168335  -0.00100955 -0.02815    -0.0129906  103 ALA   C CB   
5234 H H    . ALA   C 91  ? 0.234804  0.205149  0.118507  -0.00378242 -0.00045492 -0.00807257 103 ALA   C H    
5235 H HA   . ALA   C 91  ? 0.231123  0.210289  0.139865  -0.00042991 -0.00416008 -0.00301215 103 ALA   C HA   
5236 H HB1  . ALA   C 91  ? 0.247088  0.227687  0.167485  -0.00225211 -0.0169144  -0.00571559 103 ALA   C HB1  
5237 H HB2  . ALA   C 91  ? 0.244833  0.226848  0.168095  -0.00088076 -0.0143717  -0.00724389 103 ALA   C HB2  
5238 H HB3  . ALA   C 91  ? 0.244663  0.226832  0.165794  -0.00075524 -0.0148807  -0.00693487 103 ALA   C HB3  
5239 N N    . HIS   C 92  ? 0.19698   0.216238  0.156475  0.00027111  -0.00182577 0.0192955   104 HIS   C N    
5240 C CA   . HIS   C 92  ? 0.194679  0.218244  0.175026  -0.00763952 -0.00786056 0.0173463   104 HIS   C CA   
5241 C C    . HIS   C 92  ? 0.216574  0.222293  0.179432  -0.0140203  -0.0250357  0.00705097  104 HIS   C C    
5242 O O    . HIS   C 92  ? 0.196569  0.239387  0.200678  -0.0153585  -0.0135711  -0.0062308  104 HIS   C O    
5243 C CB   . HIS   C 92  ? 0.178006  0.230858  0.165832  -0.00161452 -0.00629955 0.0241029   104 HIS   C CB   
5244 C CG   . HIS   C 92  ? 0.15158   0.237135  0.135617  0.0150803   0.0396344   0.0275333   104 HIS   C CG   
5245 N ND1  . HIS   C 92  ? 0.150308  0.258383  0.158324  0.0183662   0.0481784   0.0268882   104 HIS   C ND1  
5246 C CD2  . HIS   C 92  ? 0.17637   0.234634  0.0987089 0.0156134   0.0301389   0.0312989   104 HIS   C CD2  
5247 C CE1  . HIS   C 92  ? 0.165528  0.248257  0.164519  0.00784145  0.0304305   0.0394721   104 HIS   C CE1  
5248 N NE2  . HIS   C 92  ? 0.17309   0.241883  0.149825  0.0304515   0.0285874   0.0382996   104 HIS   C NE2  
5249 H H    . HIS   C 92  ? 0.201078  0.211324  0.161829  0.00041211  -0.00434124 0.0143493   104 HIS   C H    
5250 H HA   . HIS   C 92  ? 0.195459  0.218947  0.174324  -0.00467575 -0.00658737 0.0155524   104 HIS   C HA   
5251 H HB2  . HIS   C 92  ? 0.178285  0.226048  0.166604  0.00153365  0.00544692  0.0209699   104 HIS   C HB2  
5252 H HB3  . HIS   C 92  ? 0.181908  0.226137  0.166565  0.00143222  0.00373302  0.0206506   104 HIS   C HB3  
5253 H HD1  . HIS   C 92  ? 0.194663  0.194663  0.194663  0           0           0           104 HIS   C HD1  
5254 H HD2  . HIS   C 92  ? 0.168863  0.228916  0.125694  0.0183016   0.0285847   0.0291509   104 HIS   C HD2  
5255 H HE1  . HIS   C 92  ? 0.167549  0.243139  0.164169  0.0142773   0.031791    0.0319673   104 HIS   C HE1  
5256 H HE2  . HIS   C 92  ? 0.19441   0.19441   0.19441   0           0           0           104 HIS   C HE2  
5257 N N    . LEU   C 93  ? 0.190445  0.215022  0.16388   -0.0303729  -0.0194539  -0.0104145  105 LEU   C N    
5258 C CA   . LEU   C 93  ? 0.198931  0.199088  0.192468  -0.0200379  -0.00385877 -0.00267042 105 LEU   C CA   
5259 C C    . LEU   C 93  ? 0.200348  0.181672  0.186156  -0.0229067  -0.00872551 -0.0081275  105 LEU   C C    
5260 O O    . LEU   C 93  ? 0.150876  0.204383  0.177105  -0.022792   0.0405243   -0.0184572  105 LEU   C O    
5261 C CB   . LEU   C 93  ? 0.208945  0.202943  0.200549  -0.0222381  -6.131e-05  -0.00825488 105 LEU   C CB   
5262 C CG   . LEU   C 93  ? 0.236954  0.201244  0.210898  0.0017021   -0.0221057  -0.00861138 105 LEU   C CG   
5263 C CD1  . LEU   C 93  ? 0.262984  0.188139  0.241153  0.00595196  -0.00327649 -0.00059514 105 LEU   C CD1  
5264 C CD2  . LEU   C 93  ? 0.251943  0.2316    0.226014  0.0280161   -0.0203528  -0.0193245  105 LEU   C CD2  
5265 H H    . LEU   C 93  ? 0.195567  0.207156  0.172788  -0.0217225  -0.0150516  -0.00681917 105 LEU   C H    
5266 H HA   . LEU   C 93  ? 0.198587  0.202762  0.190576  -0.0191275  -0.00533675 -0.00355784 105 LEU   C HA   
5267 H HB2  . LEU   C 93  ? 0.210082  0.202115  0.200943  -0.014728   -0.00414927 -0.00580105 105 LEU   C HB2  
5268 H HB3  . LEU   C 93  ? 0.208961  0.200573  0.200905  -0.0160382  -0.00358531 -0.00497664 105 LEU   C HB3  
5269 H HG   . LEU   C 93  ? 0.233737  0.206736  0.216246  0.00175716  -0.0111338  -0.00712679 105 LEU   C HG   
5270 H HD11 . LEU   C 93  ? 0.251336  0.200097  0.233618  0.00445541  -0.00624639 -0.0001977  105 LEU   C HD11 
5271 H HD12 . LEU   C 93  ? 0.252403  0.199427  0.23237   0.00384966  -0.00658909 -0.00119042 105 LEU   C HD12 
5272 H HD13 . LEU   C 93  ? 0.251226  0.199153  0.232315  0.00427704  -0.00633828 -0.00126681 105 LEU   C HD13 
5273 H HD21 . LEU   C 93  ? 0.244889  0.22601   0.225268  0.0166569   -0.0159731  -0.0145378  105 LEU   C HD21 
5274 H HD22 . LEU   C 93  ? 0.247781  0.2285    0.22401   0.0202836   -0.0174258  -0.0142892  105 LEU   C HD22 
5275 H HD23 . LEU   C 93  ? 0.245027  0.225377  0.223858  0.017722    -0.0167234  -0.013587   105 LEU   C HD23 
5276 N N    . LEU   C 94  ? 0.194461  0.222188  0.19326   -0.00792449 -0.00622496 -0.0225733  106 LEU   C N    
5277 C CA   . LEU   C 94  ? 0.18254   0.228186  0.17837   -0.0102093  -0.0137227  -0.0196277  106 LEU   C CA   
5278 C C    . LEU   C 94  ? 0.197897  0.237572  0.183372  -0.00745916 -0.00889347 -0.0190439  106 LEU   C C    
5279 O O    . LEU   C 94  ? 0.238054  0.240907  0.180653  -0.0324295  -0.022634   -0.00189208 106 LEU   C O    
5280 C CB   . LEU   C 94  ? 0.213344  0.252611  0.185799  0.00608499  -0.0192671  -0.00567066 106 LEU   C CB   
5281 C CG   . LEU   C 94  ? 0.224891  0.325912  0.212356  -0.00202969 -0.00957569 -0.00939005 106 LEU   C CG   
5282 C CD1  . LEU   C 94  ? 0.191772  0.330091  0.195622  -0.0210875  0.0169403   -0.0124172  106 LEU   C CD1  
5283 C CD2  . LEU   C 94  ? 0.207433  0.375128  0.2638    0.0121611   -0.0316236  -0.029338   106 LEU   C CD2  
5284 H H    . LEU   C 94  ? 0.193907  0.212907  0.190541  -0.0108401  -0.00655059 -0.0149286  106 LEU   C H    
5285 H HA   . LEU   C 94  ? 0.191234  0.226899  0.183194  -0.00621259 -0.00879765 -0.0166639  106 LEU   C HA   
5286 H HB2  . LEU   C 94  ? 0.206995  0.253687  0.192414  -5.036e-05  -0.011969   -0.00762151 106 LEU   C HB2  
5287 H HB3  . LEU   C 94  ? 0.207114  0.254076  0.192543  0.00018216  -0.0121389  -0.00804029 106 LEU   C HB3  
5288 H HG   . LEU   C 94  ? 0.218038  0.311918  0.218606  -0.00061261 -0.0069013  -0.0101646  106 LEU   C HG   
5289 H HD11 . LEU   C 94  ? 0.204713  0.317358  0.206909  -0.0127369  0.0117909   -0.00793274 106 LEU   C HD11 
5290 H HD12 . LEU   C 94  ? 0.200527  0.318277  0.206394  -0.0116575  0.013428    -0.00813549 106 LEU   C HD12 
5291 H HD13 . LEU   C 94  ? 0.204356  0.316732  0.206134  -0.013553   0.0124896   -0.00663166 106 LEU   C HD13 
5292 H HD21 . LEU   C 94  ? 0.221926  0.354167  0.25517   0.00843888  -0.0191053  -0.0175903  106 LEU   C HD21 
5293 H HD22 . LEU   C 94  ? 0.222864  0.356679  0.256601  0.0102493   -0.0206482  -0.0217398  106 LEU   C HD22 
5294 H HD23 . LEU   C 94  ? 0.221437  0.352614  0.254281  0.00851528  -0.0188733  -0.0188578  106 LEU   C HD23 
5295 N N    . ILE   C 95  ? 0.161108  0.236225  0.177592  -0.00297349 -0.00242549 -0.0118533  107 ILE   C N    
5296 C CA   . ILE   C 95  ? 0.177964  0.252116  0.212283  -0.0183563  -0.00309667 -0.0170654  107 ILE   C CA   
5297 C C    . ILE   C 95  ? 0.169094  0.260435  0.263951  -0.012808   -0.013579   -0.024168   107 ILE   C C    
5298 O O    . ILE   C 95  ? 0.18546   0.286775  0.242605  -0.0151394  -0.0080692  -0.0432907  107 ILE   C O    
5299 C CB   . ILE   C 95  ? 0.173053  0.231143  0.200942  -0.0241037  -0.00798367 -0.00796198 107 ILE   C CB   
5300 C CG1  . ILE   C 95  ? 0.179086  0.230835  0.217024  -0.0256035  -0.00123351 0.0037087   107 ILE   C CG1  
5301 C CG2  . ILE   C 95  ? 0.171713  0.226481  0.200148  -0.0262535  -0.036745   -0.0144859  107 ILE   C CG2  
5302 C CD1  . ILE   C 95  ? 0.206329  0.238754  0.201431  -0.0338983  0.0109394   -0.00726419 107 ILE   C CD1  
5303 H H    . ILE   C 95  ? 0.175044  0.231942  0.187277  -0.00514452 -0.00204114 -0.0133343  107 ILE   C H    
5304 H HA   . ILE   C 95  ? 0.177577  0.24373   0.212585  -0.0130665  -0.00374477 -0.0122907  107 ILE   C HA   
5305 H HB   . ILE   C 95  ? 0.177898  0.229271  0.204567  -0.0200651  -0.00825529 -0.00781693 107 ILE   C HB   
5306 H HG12 . ILE   C 95  ? 0.185846  0.230564  0.209421  -0.0231275  0.00113163  -0.00063599 107 ILE   C HG12 
5307 H HG13 . ILE   C 95  ? 0.186183  0.2307    0.209185  -0.0229225  0.0010327   -0.00090642 107 ILE   C HG13 
5308 H HG21 . ILE   C 95  ? 0.172527  0.224578  0.197573  -0.0218928  -0.0263987  -0.0108138  107 ILE   C HG21 
5309 H HG22 . ILE   C 95  ? 0.175714  0.223653  0.199598  -0.0217003  -0.023979   -0.0111081  107 ILE   C HG22 
5310 H HG23 . ILE   C 95  ? 0.177587  0.224851  0.200723  -0.0217835  -0.0250364  -0.0105563  107 ILE   C HG23 
5311 H HD11 . ILE   C 95  ? 0.199158  0.234917  0.20697   -0.0270409  0.00703396  -0.00285897 107 ILE   C HD11 
5312 H HD12 . ILE   C 95  ? 0.199956  0.234606  0.207499  -0.0269111  0.00672247  -0.00302358 107 ILE   C HD12 
5313 H HD13 . ILE   C 95  ? 0.198754  0.234684  0.207741  -0.0269149  0.00694954  -0.0032923  107 ILE   C HD13 
5314 N N    . LYS   C 96  ? 0.173022  0.274062  0.271051  -0.0220004  -0.0107311  -0.0088002  108 LYS   C N    
5315 C CA   . LYS   C 96  ? 0.169821  0.267486  0.270993  -0.0198696  -0.0237271  0.00246707  108 LYS   C CA   
5316 C C    . LYS   C 96  ? 0.196873  0.27176   0.261727  -0.0405063  -0.0263487  -0.0088903  108 LYS   C C    
5317 O O    . LYS   C 96  ? 0.206718  0.267141  0.208395  -0.030021   -0.00714857 0.0225637   108 LYS   C O    
5318 C CB   . LYS   C 96  ? 0.184373  0.307014  0.278567  -0.0306498  -0.0286301  -0.0289745  108 LYS   C CB   
5319 C CG   . LYS   C 96  ? 0.239479  0.319023  0.27566   -0.009296   -0.0333618  -0.0184765  108 LYS   C CG   
5320 H H    . LYS   C 96  ? 0.181021  0.268375  0.265538  -0.0164773  -0.0106983  -0.00716707 108 LYS   C H    
5321 H HA   . LYS   C 96  ? 0.184413  0.268576  0.266198  -0.0188372  -0.0174449  -0.00521025 108 LYS   C HA   
5322 H HB2  . LYS   C 96  ? 0.20127   0.296945  0.273907  -0.0212359  -0.0230263  -0.0147813  108 LYS   C HB2  
5323 H HB3  . LYS   C 96  ? 0.200305  0.296306  0.273669  -0.0209506  -0.0221988  -0.0144484  108 LYS   C HB3  
5324 H HG2  . LYS   C 96  ? 0.283193  0.283193  0.283193  0           0           0           108 LYS   C HG2  
5325 H HG3  . LYS   C 96  ? 0.283193  0.283193  0.283193  0           0           0           108 LYS   C HG3  
5326 N N    . PRO   C 97  ? 0.186855  0.275755  0.254835  -0.0475429  -0.0242443  -0.00074892 109 PRO   C N    
5327 C CA   . PRO   C 97  ? 0.236072  0.318464  0.26037   -0.0575325  -0.0293225  0.010377    109 PRO   C CA   
5328 C C    . PRO   C 97  ? 0.183596  0.321934  0.254593  -0.0622746  -0.0155068  -0.00761613 109 PRO   C C    
5329 O O    . PRO   C 97  ? 0.171685  0.396139  0.242346  -0.0846715  -0.00101651 0.0115637   109 PRO   C O    
5330 C CB   . PRO   C 97  ? 0.237327  0.341173  0.257522  -0.0479455  -0.0406794  -0.00558518 109 PRO   C CB   
5331 C CG   . PRO   C 97  ? 0.247439  0.319914  0.273747  -0.0419145  -0.0255471  -0.0134667  109 PRO   C CG   
5332 C CD   . PRO   C 97  ? 0.224454  0.303693  0.275679  -0.0435978  -0.0261019  0.0131007   109 PRO   C CD   
5333 H HA   . PRO   C 97  ? 0.223964  0.311691  0.260147  -0.0443866  -0.0210493  0.00363903  109 PRO   C HA   
5334 H HB2  . PRO   C 97  ? 0.244923  0.328742  0.264365  -0.0401831  -0.0285814  -0.00336817 109 PRO   C HB2  
5335 H HB3  . PRO   C 97  ? 0.244553  0.325629  0.262875  -0.0416507  -0.0285281  -0.00355871 109 PRO   C HB3  
5336 H HG2  . PRO   C 97  ? 0.247997  0.316647  0.271747  -0.0365582  -0.0235997  -0.00404159 109 PRO   C HG2  
5337 H HG3  . PRO   C 97  ? 0.245084  0.314626  0.271533  -0.0375264  -0.0233924  -0.00443694 109 PRO   C HG3  
5338 H HD2  . PRO   C 97  ? 0.226464  0.298449  0.270799  -0.0359878  -0.0190205  0.00585607  109 PRO   C HD2  
5339 H HD3  . PRO   C 97  ? 0.224982  0.295418  0.269306  -0.0374909  -0.0201778  0.00493846  109 PRO   C HD3  
5340 N N    . GLU   C 98  ? 0.233153  0.340415  0.285877  -0.0750319  -0.0456411  -0.0100583  110 GLU   C N    
5341 C CA   . GLU   C 98  ? 0.214597  0.311041  0.297856  -0.0959795  -0.0315201  -0.00648006 110 GLU   C CA   
5342 C C    . GLU   C 98  ? 0.236169  0.314672  0.302679  -0.0630937  -0.0316272  0.022064    110 GLU   C C    
5343 O O    . GLU   C 98  ? 0.176938  0.33128   0.369466  -0.0616214  -0.00575091 0.0661113   110 GLU   C O    
5344 C CB   . GLU   C 98  ? 0.206701  0.344374  0.292696  -0.114044   -0.0295759  -0.0191892  110 GLU   C CB   
5345 H H    . GLU   C 98  ? 0.224357  0.324622  0.280701  -0.0649181  -0.028355   -0.00617934 110 GLU   C H    
5346 H HA   . GLU   C 98  ? 0.227542  0.318986  0.292412  -0.0766706  -0.0275585  -0.00261474 110 GLU   C HA   
5347 H HB2  . GLU   C 98  ? 0.281673  0.281673  0.281673  0           0           0           110 GLU   C HB2  
5348 H HB3  . GLU   C 98  ? 0.281673  0.281673  0.281673  0           0           0           110 GLU   C HB3  
5349 N N    . TYR   C 99  ? 0.234726  0.255875  0.268875  -0.073125   -0.0602693  0.0166041   111 TYR   C N    
5350 C CA   . TYR   C 99  ? 0.238764  0.234447  0.226173  -0.0422893  -0.00563978 0.0171628   111 TYR   C CA   
5351 C C    . TYR   C 99  ? 0.195119  0.255165  0.207185  -0.0321063  0.00244558  0.0134666   111 TYR   C C    
5352 O O    . TYR   C 99  ? 0.189898  0.2745    0.22274   -0.0249683  0.0321354   -0.00094172 111 TYR   C O    
5353 C CB   . TYR   C 99  ? 0.234725  0.223527  0.210861  -0.0400535  -0.0215393  0.00534457  111 TYR   C CB   
5354 C CG   . TYR   C 99  ? 0.243835  0.257125  0.233375  -0.0472504  -0.0399253  -0.00426394 111 TYR   C CG   
5355 C CD1  . TYR   C 99  ? 0.213627  0.238375  0.301816  -0.069371   -0.041725   -0.0132947  111 TYR   C CD1  
5356 C CD2  . TYR   C 99  ? 0.231029  0.264435  0.250431  -0.051419   0.00022819  -0.00838112 111 TYR   C CD2  
5357 C CE1  . TYR   C 99  ? 0.233212  0.237477  0.31331   -0.0442372  -0.0475705  -0.0309268  111 TYR   C CE1  
5358 C CE2  . TYR   C 99  ? 0.235346  0.259675  0.295779  -0.0551738  -0.00514594 -0.0206177  111 TYR   C CE2  
5359 C CZ   . TYR   C 99  ? 0.219953  0.265974  0.305165  -0.0461176  -0.0101054  -0.0522897  111 TYR   C CZ   
5360 O OH   . TYR   C 99  ? 0.256886  0.29078   0.313244  -0.0762898  -0.010259   -0.0302124  111 TYR   C OH   
5361 H H    . TYR   C 99  ? 0.236406  0.261712  0.262675  -0.0540625  -0.0348501  0.0159866   111 TYR   C H    
5362 H HA   . TYR   C 99  ? 0.2286    0.239635  0.228105  -0.0389512  -0.0139669  0.0134108   111 TYR   C HA   
5363 H HB2  . TYR   C 99  ? 0.233643  0.23056   0.21764   -0.0348192  -0.018677   0.00686223  111 TYR   C HB2  
5364 H HB3  . TYR   C 99  ? 0.23323   0.232836  0.218171  -0.0359374  -0.0176322  0.00591476  111 TYR   C HB3  
5365 H HD1  . TYR   C 99  ? 0.229128  0.246723  0.282632  -0.0510374  -0.0349141  -0.0123053  111 TYR   C HD1  
5366 H HD2  . TYR   C 99  ? 0.238475  0.260901  0.254993  -0.0444177  -0.00771195 -0.0081438  111 TYR   C HD2  
5367 H HE1  . TYR   C 99  ? 0.229238  0.248456  0.301076  -0.0437357  -0.0314405  -0.0258856  111 TYR   C HE1  
5368 H HE2  . TYR   C 99  ? 0.235831  0.264952  0.283056  -0.0459391  -0.00374923 -0.0202213  111 TYR   C HE2  
5369 H HH   . TYR   C 99  ? 0.288132  0.288132  0.288132  0           0           0           111 TYR   C HH   
5370 N N    . ALA   C 100 ? 0.153206  0.293606  0.213014  -0.0398762  0.00617063  -0.0121386  112 ALA   C N    
5371 C CA   . ALA   C 100 ? 0.157036  0.304037  0.217773  -0.0636154  0.027775    0.0100333   112 ALA   C CA   
5372 C C    . ALA   C 100 ? 0.141174  0.299784  0.209543  -0.0650617  0.05092     0.0103147   112 ALA   C C    
5373 O O    . ALA   C 100 ? 0.151191  0.331058  0.254532  -0.0645557  0.0702883   0.00946232  112 ALA   C O    
5374 C CB   . ALA   C 100 ? 0.132347  0.289659  0.223858  -0.0702085  0.0310446   0.00224091  112 ALA   C CB   
5375 H H    . ALA   C 100 ? 0.166982  0.279023  0.214898  -0.0392076  0.0113989   0.00111397  112 ALA   C H    
5376 H HA   . ALA   C 100 ? 0.163204  0.290716  0.218951  -0.050509   0.0273028   0.0058275   112 ALA   C HA   
5377 H HB1  . ALA   C 100 ? 0.149133  0.284955  0.221931  -0.0572262  0.0287277   0.0055696   112 ALA   C HB1  
5378 H HB2  . ALA   C 100 ? 0.143491  0.285162  0.22208   -0.0565971  0.0282031   0.00566187  112 ALA   C HB2  
5379 H HB3  . ALA   C 100 ? 0.148952  0.282413  0.220859  -0.0581597  0.0279398   0.00388076  112 ALA   C HB3  
5380 N N    . TYR   C 101 ? 0.146516  0.334847  0.220097  -0.023212   0.0204132   0.0290938   113 TYR   C N    
5381 C CA   . TYR   C 101 ? 0.188759  0.329691  0.196157  -0.0402569  0.0255897   0.024033    113 TYR   C CA   
5382 C C    . TYR   C 101 ? 0.187997  0.357939  0.181234  -0.0403168  0.0461634   0.00566437  113 TYR   C C    
5383 O O    . TYR   C 101 ? 0.208854  0.37085   0.187897  -0.101698   0.0528929   0.0303829   113 TYR   C O    
5384 C CB   . TYR   C 101 ? 0.173954  0.309247  0.197817  -0.0388809  0.0388933   0.0231826   113 TYR   C CB   
5385 C CG   . TYR   C 101 ? 0.17821   0.314881  0.190694  -0.0294421  0.0264347   0.0186626   113 TYR   C CG   
5386 C CD1  . TYR   C 101 ? 0.145168  0.283965  0.180558  -0.00945286 0.0337195   0.0188463   113 TYR   C CD1  
5387 C CD2  . TYR   C 101 ? 0.168239  0.297178  0.142709  -0.0458352  0.0170771   0.00956805  113 TYR   C CD2  
5388 C CE1  . TYR   C 101 ? 0.150608  0.272451  0.180544  -0.0252235  0.0208241   0.0141731   113 TYR   C CE1  
5389 C CE2  . TYR   C 101 ? 0.165344  0.285625  0.143157  -0.0460452  0.0477462   0.00133424  113 TYR   C CE2  
5390 C CZ   . TYR   C 101 ? 0.125356  0.258492  0.174165  -0.01603    0.0442827   0.00588568  113 TYR   C CZ   
5391 O OH   . TYR   C 101 ? 0.117141  0.27089   0.185403  -0.0165888  0.0325416   0.00884343  113 TYR   C OH   
5392 H H    . TYR   C 101 ? 0.164523  0.312057  0.215226  -0.0290315  0.0272519   0.024487    113 TYR   C H    
5393 H HA   . TYR   C 101 ? 0.186769  0.322096  0.206037  -0.030182   0.030339    0.0204894   113 TYR   C HA   
5394 H HB2  . TYR   C 101 ? 0.185335  0.305468  0.201396  -0.0302548  0.0317444   0.0209514   113 TYR   C HB2  
5395 H HB3  . TYR   C 101 ? 0.185772  0.305755  0.199755  -0.0307343  0.0322075   0.0212974   113 TYR   C HB3  
5396 H HD1  . TYR   C 101 ? 0.161276  0.277716  0.185471  -0.0143292  0.0283868   0.0177207   113 TYR   C HD1  
5397 H HD2  . TYR   C 101 ? 0.170811  0.286601  0.158314  -0.0326337  0.0225585   0.0120422   113 TYR   C HD2  
5398 H HE1  . TYR   C 101 ? 0.151336  0.264417  0.181715  -0.0152943  0.0269835   0.0133159   113 TYR   C HE1  
5399 H HE2  . TYR   C 101 ? 0.163332  0.272593  0.158064  -0.0316725  0.0376329   0.00755903  113 TYR   C HE2  
5400 H HH   . TYR   C 101 ? 0.191877  0.191877  0.191877  0           0           0           113 TYR   C HH   
5401 N N    . GLY   C 102 ? 0.174751  0.361699  0.223581  -0.0642507  0.0218446   0.0280514   114 GLY   C N    
5402 C CA   . GLY   C 102 ? 0.188085  0.385917  0.222643  -0.0760127  0.0151713   0.0214326   114 GLY   C CA   
5403 C C    . GLY   C 102 ? 0.19265   0.392193  0.264175  -0.0850944  0.011015    0.0278183   114 GLY   C C    
5404 O O    . GLY   C 102 ? 0.165754  0.428283  0.242573  -0.0762576  0.0233284   0.0384623   114 GLY   C O    
5405 H H    . GLY   C 102 ? 0.191745  0.354323  0.223482  -0.0493648  0.0254464   0.0204557   114 GLY   C H    
5406 H HA2  . GLY   C 102 ? 0.197882  0.368021  0.232367  -0.0630242  0.0158376   0.0215193   114 GLY   C HA2  
5407 H HA3  . GLY   C 102 ? 0.197931  0.369539  0.237946  -0.0627058  0.0169841   0.0234056   114 GLY   C HA3  
5408 N N    . SER   C 103 ? 0.203733  0.391943  0.323055  -0.10898    -0.0302109  0.0194353   115 SER   C N    
5409 C CA   . SER   C 103 ? 0.210198  0.414758  0.373388  -0.106045   -0.0171751  0.0211      115 SER   C CA   
5410 C C    . SER   C 103 ? 0.209607  0.403309  0.414941  -0.108241   0.00992317  0.00459041  115 SER   C C    
5411 O O    . SER   C 103 ? 0.288389  0.477256  0.504836  -0.101078   0.024941    -0.0308382  115 SER   C O    
5412 C CB   . SER   C 103 ? 0.281159  0.393786  0.420688  -0.119882   -0.0141856  0.0489252   115 SER   C CB   
5413 O OG   . SER   C 103 ? 0.347674  0.354692  0.414103  -0.167237   -0.0255479  0.0488228   115 SER   C OG   
5414 H H    . SER   C 103 ? 0.216854  0.383875  0.316835  -0.0862243  -0.0113928  0.0213918   115 SER   C H    
5415 H HA   . SER   C 103 ? 0.234931  0.400065  0.370713  -0.0930253  -0.00973946 0.021918    115 SER   C HA   
5416 H HB2  . SER   C 103 ? 0.289979  0.389581  0.402861  -0.109183   -0.0126753  0.0383827   115 SER   C HB2  
5417 H HB3  . SER   C 103 ? 0.290442  0.390268  0.407669  -0.109232   -0.0120039  0.0401005   115 SER   C HB3  
5418 H HG   . SER   C 103 ? 0.373495  0.373495  0.373495  0           0           0           115 SER   C HG   
5419 N N    . ALA   C 104 ? 0.279812  0.425467  0.344938  -0.133473   0.0282025   0.0184364   116 ALA   C N    
5420 C CA   . ALA   C 104 ? 0.303216  0.440417  0.39239   -0.130764   0.017857    -0.00044185 116 ALA   C CA   
5421 C C    . ALA   C 104 ? 0.242156  0.449854  0.332956  -0.121182   0.0366282   0.002602    116 ALA   C C    
5422 O O    . ALA   C 104 ? 0.228772  0.49443   0.388238  -0.102465   0.0411408   -0.0105957  116 ALA   C O    
5423 C CB   . ALA   C 104 ? 0.337834  0.441702  0.391335  -0.136335   0.00460006  0.00832909  116 ALA   C CB   
5424 H H    . ALA   C 104 ? 0.277259  0.417196  0.369766  -0.109225   0.0194983   0.0114593   116 ALA   C H    
5425 H HA   . ALA   C 104 ? 0.308987  0.434375  0.374486  -0.112582   0.0167696   0.00621109  116 ALA   C HA   
5426 H HB1  . ALA   C 104 ? 0.335921  0.435507  0.391257  -0.115943   0.00805873  0.00548174  116 ALA   C HB1  
5427 H HB2  . ALA   C 104 ? 0.339522  0.436546  0.392381  -0.1164     0.0060767   0.00570359  116 ALA   C HB2  
5428 H HB3  . ALA   C 104 ? 0.336051  0.436386  0.390948  -0.1159     0.00793521  0.00525366  116 ALA   C HB3  
5429 N N    . GLY   C 105 ? 0.169269  0.43471   0.247257  -0.0888123  0.00250872  -0.0116453  117 GLY   C N    
5430 C CA   . GLY   C 105 ? 0.180868  0.399207  0.274171  -0.0595145  -0.0298676  -0.0046123  117 GLY   C CA   
5431 C C    . GLY   C 105 ? 0.114657  0.343439  0.257396  -0.0434653  0.00237463  0.0225002   117 GLY   C C    
5432 O O    . GLY   C 105 ? 0.108921  0.337732  0.253262  -0.078175   0.00362791  0.0498067   117 GLY   C O    
5433 H H    . GLY   C 105 ? 0.203626  0.408011  0.267904  -0.0739097  0.00646088  -0.00799296 117 GLY   C H    
5434 H HA2  . GLY   C 105 ? 0.182528  0.384055  0.279588  -0.0507709  -0.0120629  0.00361851  117 GLY   C HA2  
5435 H HA3  . GLY   C 105 ? 0.181548  0.384559  0.271764  -0.0514611  -0.00809635 0.00439675  117 GLY   C HA3  
5436 N N    . SER   C 106 ? 0.118469  0.339552  0.212115  -0.0359923  0.0263836   0.00575967  118 SER   C N    
5437 C CA   . SER   C 106 ? 0.14105   0.312443  0.200731  -0.0548139  0.0398431   0.00666311  118 SER   C CA   
5438 C C    . SER   C 106 ? 0.162601  0.323884  0.181157  -0.0484777  0.0428677   0.0059671   118 SER   C C    
5439 O O    . SER   C 106 ? 0.185793  0.306509  0.222978  -0.0579236  0.0310314   0.0376064   118 SER   C O    
5440 C CB   . SER   C 106 ? 0.153824  0.301394  0.191428  -0.050199   0.0495099   -0.00492888 118 SER   C CB   
5441 O OG   . SER   C 106 ? 0.16323   0.284825  0.163283  -0.0738935  0.0567584   0.0241951   118 SER   C OG   
5442 H H    . SER   C 106 ? 0.139463  0.323476  0.223671  -0.0332848  0.0254497   0.0120921   118 SER   C H    
5443 H HA   . SER   C 106 ? 0.153955  0.306975  0.202351  -0.0407756  0.0382125   0.00789784  118 SER   C HA   
5444 H HB2  . SER   C 106 ? 0.162711  0.288256  0.19199   -0.0480218  0.0448126   0.00385021  118 SER   C HB2  
5445 H HB3  . SER   C 106 ? 0.163383  0.294282  0.195042  -0.0463878  0.0438835   0.0030804   118 SER   C HB3  
5446 H HG   . SER   C 106 ? 0.205429  0.205429  0.205429  0           0           0           118 SER   C HG   
5447 N N    . LEU   C 107 ? 0.112704  0.375499  0.23585   -0.0175985  0.0372766   0.00505065  119 LEU   C N    
5448 C CA   . LEU   C 107 ? 0.186459  0.383188  0.244275  -0.0228129  0.0599553   -0.00544319 119 LEU   C CA   
5449 C C    . LEU   C 107 ? 0.217274  0.380493  0.226499  -0.00549216 0.0605764   -0.025044   119 LEU   C C    
5450 O O    . LEU   C 107 ? 0.229395  0.397911  0.258374  -0.0573614  0.0158386   -0.00646129 119 LEU   C O    
5451 C CB   . LEU   C 107 ? 0.188     0.43684   0.277955  -0.0201282  0.0563322   -0.00607263 119 LEU   C CB   
5452 C CG   . LEU   C 107 ? 0.269107  0.491149  0.349218  0.00244185  0.0173108   -0.00345904 119 LEU   C CG   
5453 C CD1  . LEU   C 107 ? 0.308929  0.530043  0.385156  -0.00484799 0.034419    -0.00836537 119 LEU   C CD1  
5454 C CD2  . LEU   C 107 ? 0.282936  0.541558  0.346344  0.041858    0.0284522   0.00488383  119 LEU   C CD2  
5455 H H    . LEU   C 107 ? 0.157937  0.352327  0.228221  -0.0188997  0.0425124   0.00570529  119 LEU   C H    
5456 H HA   . LEU   C 107 ? 0.191177  0.377157  0.249132  -0.0126459  0.0513607   -0.00183276 119 LEU   C HA   
5457 H HB2  . LEU   C 107 ? 0.216011  0.41785   0.285568  -0.0115134  0.0476668   -0.00225644 119 LEU   C HB2  
5458 H HB3  . LEU   C 107 ? 0.216964  0.41648   0.284883  -0.0112243  0.0477175   -0.00305189 119 LEU   C HB3  
5459 H HG   . LEU   C 107 ? 0.273722  0.479983  0.343661  0.00548298  0.0305494   -3.4e-06    119 LEU   C HG   
5460 H HD11 . LEU   C 107 ? 0.312964  0.51025   0.381729  0.0002123   0.0296039   -0.0057876  119 LEU   C HD11 
5461 H HD12 . LEU   C 107 ? 0.315918  0.507336  0.383009  0.00038525  0.0319044   -0.00414331 119 LEU   C HD12 
5462 H HD13 . LEU   C 107 ? 0.312986  0.508271  0.381808  0.00014197  0.0292976   -0.00312997 119 LEU   C HD13 
5463 H HD21 . LEU   C 107 ? 0.293759  0.508578  0.353744  0.0283173   0.026003    0.00498948  119 LEU   C HD21 
5464 H HD22 . LEU   C 107 ? 0.294877  0.511306  0.355891  0.0288194   0.0255842   0.00577444  119 LEU   C HD22 
5465 H HD23 . LEU   C 107 ? 0.294774  0.510541  0.355061  0.0289026   0.0252347   0.00506434  119 LEU   C HD23 
5466 N N    . PRO   C 108 ? 0.281213  0.424146  0.240559  -0.0165618  0.0321686   -0.057289   120 PRO   C N    
5467 C CA   . PRO   C 108 ? 0.29601   0.401111  0.237821  0.0194354   0.0325777   -0.0622549  120 PRO   C CA   
5468 C C    . PRO   C 108 ? 0.309096  0.382581  0.243201  0.0413646   0.0215474   -0.0230116  120 PRO   C C    
5469 O O    . PRO   C 108 ? 0.386567  0.41397   0.261962  0.0709044   0.0139614   -0.0305692  120 PRO   C O    
5470 C CB   . PRO   C 108 ? 0.298095  0.436352  0.288565  0.0308792   0.032695    -0.0613448  120 PRO   C CB   
5471 C CG   . PRO   C 108 ? 0.270507  0.39079   0.251384  0.0249838   0.0318789   -0.0852874  120 PRO   C CG   
5472 C CD   . PRO   C 108 ? 0.257231  0.443964  0.246197  0.00707956  0.0266081   -0.0643685  120 PRO   C CD   
5473 H HA   . PRO   C 108 ? 0.297224  0.39804   0.257412  0.0173728   0.0293215   -0.0445439  120 PRO   C HA   
5474 H HB2  . PRO   C 108 ? 0.299355  0.411666  0.280162  0.0253077   0.0294855   -0.0584468  120 PRO   C HB2  
5475 H HB3  . PRO   C 108 ? 0.301409  0.40927   0.2828    0.0244527   0.0266695   -0.0561999  120 PRO   C HB3  
5476 H HG2  . PRO   C 108 ? 0.276955  0.398125  0.261715  0.0206962   0.0295087   -0.0642506  120 PRO   C HG2  
5477 H HG3  . PRO   C 108 ? 0.276986  0.394579  0.256172  0.0192756   0.0264004   -0.0686247  120 PRO   C HG3  
5478 H HD2  . PRO   C 108 ? 0.272772  0.414645  0.256678  0.00809313  0.0285395   -0.0555455  120 PRO   C HD2  
5479 H HD3  . PRO   C 108 ? 0.274063  0.4155    0.256126  0.00754498  0.0289304   -0.0556484  120 PRO   C HD3  
5480 N N    . LYS   C 109 ? 0.251086  0.318624  0.208458  0.00560114  0.0335542   -0.0151041  121 LYS   C N    
5481 C CA   . LYS   C 109 ? 0.243223  0.307403  0.231197  0.0157015   0.00249629  -0.00953089 121 LYS   C CA   
5482 C C    . LYS   C 109 ? 0.178269  0.315243  0.268251  0.0115464   -0.0130833  -0.00038753 121 LYS   C C    
5483 O O    . LYS   C 109 ? 0.172439  0.307704  0.242069  0.00485043  0.0292216   0.00074932  121 LYS   C O    
5484 C CB   . LYS   C 109 ? 0.246997  0.312102  0.225854  0.0367817   0.0304604   -0.018494   121 LYS   C CB   
5485 C CG   . LYS   C 109 ? 0.29017   0.344435  0.307817  0.038721    0.0242527   0.00098524  121 LYS   C CG   
5486 C CD   . LYS   C 109 ? 0.349822  0.339363  0.408191  0.0645481   0.0564808   -0.0163905  121 LYS   C CD   
5487 C CE   . LYS   C 109 ? 0.35994   0.342058  0.520296  0.0818501   0.0162708   -0.0432329  121 LYS   C CE   
5488 N NZ   . LYS   C 109 ? 0.392642  0.302365  0.55473   0.106022    0.00996631  -0.0613127  121 LYS   C NZ   
5489 H H    . LYS   C 109 ? 0.259154  0.321404  0.226114  0.0143358   0.0227109   -0.0130351  121 LYS   C H    
5490 H HA   . LYS   C 109 ? 0.236315  0.30466   0.236961  0.0156051   0.0110386   -0.00882041 121 LYS   C HA   
5491 H HB2  . LYS   C 109 ? 0.253218  0.310448  0.241901  0.0280905   0.0194128   -0.0114483  121 LYS   C HB2  
5492 H HB3  . LYS   C 109 ? 0.254019  0.307693  0.243396  0.0283156   0.0208309   -0.0111947  121 LYS   C HB3  
5493 H HG2  . LYS   C 109 ? 0.294492  0.334043  0.302234  0.035715    0.0285348   -0.00678333 121 LYS   C HG2  
5494 H HG3  . LYS   C 109 ? 0.289679  0.332859  0.300874  0.037255    0.0292794   -0.00679437 121 LYS   C HG3  
5495 H HD2  . LYS   C 109 ? 0.341671  0.34887   0.398109  0.0509197   0.0391828   -0.0169894  121 LYS   C HD2  
5496 H HD3  . LYS   C 109 ? 0.336834  0.346611  0.396886  0.053252    0.0364857   -0.0145325  121 LYS   C HD3  
5497 H HE2  . LYS   C 109 ? 0.370095  0.34622   0.488093  0.07432     0.0245845   -0.0326012  121 LYS   C HE2  
5498 H HE3  . LYS   C 109 ? 0.369525  0.346797  0.493497  0.0735597   0.0242487   -0.0301732  121 LYS   C HE3  
5499 H HZ1  . LYS   C 109 ? 0.389644  0.333068  0.528848  0.0898705   0.0139081   -0.0452402  121 LYS   C HZ1  
5500 H HZ2  . LYS   C 109 ? 0.389566  0.333004  0.529298  0.0898728   0.0138809   -0.0451568  121 LYS   C HZ2  
5501 H HZ3  . LYS   C 109 ? 0.393701  0.333191  0.529901  0.0907565   0.0125733   -0.0455716  121 LYS   C HZ3  
5502 N N    . ILE   C 110 ? 0.145928  0.316956  0.233375  -0.0202852  0.0121025   0.0134243   122 ILE   C N    
5503 C CA   . ILE   C 110 ? 0.150863  0.329156  0.24909   -0.0420591  0.0415922   -0.00547806 122 ILE   C CA   
5504 C C    . ILE   C 110 ? 0.13999   0.3528    0.236706  -0.0241948  0.061514    0.00728176  122 ILE   C C    
5505 O O    . ILE   C 110 ? 0.201125  0.367032  0.259621  -0.0181647  0.0125798   0.0161566   122 ILE   C O    
5506 C CB   . ILE   C 110 ? 0.134306  0.339569  0.20632   -0.0273911  0.0607556   -0.0167758  122 ILE   C CB   
5507 C CG1  . ILE   C 110 ? 0.147511  0.372904  0.228043  -0.0576638  0.0508939   -0.0325407  122 ILE   C CG1  
5508 C CG2  . ILE   C 110 ? 0.0900306 0.328281  0.214949  -0.0426094  0.0624465   -0.0305239  122 ILE   C CG2  
5509 C CD1  . ILE   C 110 ? 0.184203  0.396694  0.21522   -0.0446285  0.0460741   -0.0305259  122 ILE   C CD1  
5510 H H    . ILE   C 110 ? 0.166418  0.308069  0.238958  -0.0124126  0.013675    0.0107602   122 ILE   C H    
5511 H HA   . ILE   C 110 ? 0.158121  0.327208  0.241345  -0.0248079  0.0418964   0.0002145   122 ILE   C HA   
5512 H HB   . ILE   C 110 ? 0.145491  0.32819   0.221999  -0.0297286  0.0534362   -0.0110879  122 ILE   C HB   
5513 H HG12 . ILE   C 110 ? 0.167095  0.357097  0.223956  -0.038045   0.0485874   -0.021392   122 ILE   C HG12 
5514 H HG13 . ILE   C 110 ? 0.16768   0.358384  0.226015  -0.0383048  0.049704    -0.0200188  122 ILE   C HG13 
5515 H HG21 . ILE   C 110 ? 0.117336  0.317145  0.215423  -0.0283671  0.0600493   -0.0175958  122 ILE   C HG21 
5516 H HG22 . ILE   C 110 ? 0.117487  0.319339  0.216491  -0.0293151  0.0601015   -0.0174987  122 ILE   C HG22 
5517 H HG23 . ILE   C 110 ? 0.103035  0.317005  0.216142  -0.0343198  0.0629865   -0.0162874  122 ILE   C HG23 
5518 H HD11 . ILE   C 110 ? 0.18692   0.374906  0.224032  -0.0387993  0.0444222   -0.0244024  122 ILE   C HD11 
5519 H HD12 . ILE   C 110 ? 0.190036  0.37529   0.226941  -0.0379457  0.0455542   -0.0229192  122 ILE   C HD12 
5520 H HD13 . ILE   C 110 ? 0.18801   0.376353  0.227511  -0.0385421  0.0456677   -0.0231496  122 ILE   C HD13 
5521 N N    . PRO   C 111 ? 0.06165   0.393225  0.212208  -0.0595612  0.0967004   0.00491381  123 PRO   C N    
5522 C CA   . PRO   C 111 ? 0.0510315 0.450477  0.271692  -0.0334771  0.102339    0.0374315   123 PRO   C CA   
5523 C C    . PRO   C 111 ? 0.0343911 0.459627  0.2822    -0.0506257  0.0696132   0.067626    123 PRO   C C    
5524 O O    . PRO   C 111 ? 0.157513  0.462125  0.271388  -0.0333774  -0.0252764  0.00300318  123 PRO   C O    
5525 C CB   . PRO   C 111 ? 0.130382  0.437891  0.285252  -0.0350421  0.118946    0.0222027   123 PRO   C CB   
5526 C CG   . PRO   C 111 ? 0.0526193 0.438477  0.309661  -0.0440312  0.112074    0.00507709  123 PRO   C CG   
5527 C CD   . PRO   C 111 ? 0.0647783 0.403823  0.305619  -0.0336533  0.0627074   0.0112221   123 PRO   C CD   
5528 H HA   . PRO   C 111 ? 0.0768123 0.420758  0.266086  -0.0300045  0.102754    0.0397069   123 PRO   C HA   
5529 H HB2  . PRO   C 111 ? 0.119091  0.427529  0.293475  -0.0231251  0.113824    0.0282822   123 PRO   C HB2  
5530 H HB3  . PRO   C 111 ? 0.114899  0.425128  0.290753  -0.0238151  0.113056    0.0251612   123 PRO   C HB3  
5531 H HG2  . PRO   C 111 ? 0.0934813 0.412517  0.296109  -0.027518   0.102008    0.0145081   123 PRO   C HG2  
5532 H HG3  . PRO   C 111 ? 0.0923682 0.411401  0.302756  -0.0264327  0.10357     0.017016    123 PRO   C HG3  
5533 H HD2  . PRO   C 111 ? 0.0912619 0.396867  0.294026  -0.0327314  0.0771805   0.0198163   123 PRO   C HD2  
5534 H HD3  . PRO   C 111 ? 0.0887998 0.388425  0.283696  -0.0331762  0.0813387   0.0137474   123 PRO   C HD3  
5535 N N    . SER   C 112 ? 0.0686333 0.508913  0.287471  -0.0969103  0.0974301   0.0612969   124 SER   C N    
5536 C CA   . SER   C 112 ? 0.0864533 0.543503  0.277563  -0.118361   0.101263    0.0782238   124 SER   C CA   
5537 C C    . SER   C 112 ? 0.0934637 0.475492  0.292972  -0.052811   0.0356103   0.030905    124 SER   C C    
5538 O O    . SER   C 112 ? 0.151979  0.45784   0.31269   -0.0108417  0.0319107   0.00968982  124 SER   C O    
5539 C CB   . SER   C 112 ? 0.119094  0.627858  0.237783  -0.145351   0.115148    0.073917    124 SER   C CB   
5540 O OG   . SER   C 112 ? 0.310843  0.621699  0.38282   -0.136043   0.0675619   0.0545356   124 SER   C OG   
5541 H H    . SER   C 112 ? 0.0718593 0.487483  0.289361  -0.073393   0.105538    0.07279     124 SER   C H    
5542 H HA   . SER   C 112 ? 0.0872016 0.513113  0.280141  -0.0918427  0.108442    0.0729179   124 SER   C HA   
5543 H HB2  . SER   C 112 ? 0.122993  0.570811  0.244079  -0.123318   0.124346    0.0822717   124 SER   C HB2  
5544 H HB3  . SER   C 112 ? 0.12131   0.571736  0.267942  -0.123166   0.126867    0.0816752   124 SER   C HB3  
5545 H HG   . SER   C 112 ? 0.433148  0.433148  0.433148  0           0           0           124 SER   C HG   
5546 N N    . ASN   C 113 ? 0.0870716 0.467094  0.264973  -0.0424068  -0.0129408  0.00242429  125 ASN   C N    
5547 C CA   . ASN   C 113 ? 0.105386  0.450824  0.288661  -0.0740077  -0.0088801  0.0275108   125 ASN   C CA   
5548 C C    . ASN   C 113 ? 0.160279  0.417469  0.236814  -0.0581491  0.0201866   -0.0016168  125 ASN   C C    
5549 O O    . ASN   C 113 ? 0.144696  0.420454  0.288657  -0.0247296  -0.0209728  -0.00359862 125 ASN   C O    
5550 C CB   . ASN   C 113 ? 0.118955  0.522553  0.298018  -0.107173   -0.0235955  0.00861287  125 ASN   C CB   
5551 C CG   . ASN   C 113 ? 0.150631  0.538251  0.304803  -0.134005   -0.0249575  0.0159554   125 ASN   C CG   
5552 O OD1  . ASN   C 113 ? 0.239401  0.73307   0.280602  -0.152702   0.0243487   0.0853276   125 ASN   C OD1  
5553 N ND2  . ASN   C 113 ? 0.273953  0.545064  0.376093  -0.113059   -0.0204035  0.0261522   125 ASN   C ND2  
5554 H H    . ASN   C 113 ? 0.12291   0.448519  0.283842  -0.0343289  0.0100344   0.0250659   125 ASN   C H    
5555 H HA   . ASN   C 113 ? 0.144103  0.442171  0.284655  -0.0516374  0.00323373  0.0186003   125 ASN   C HA   
5556 H HB2  . ASN   C 113 ? 0.155071  0.490661  0.307192  -0.0799801  -0.00669113 0.021167    125 ASN   C HB2  
5557 H HB3  . ASN   C 113 ? 0.155824  0.490844  0.303798  -0.0805601  -0.00809954 0.0221152   125 ASN   C HB3  
5558 H HD21 . ASN   C 113 ? 0.256282  0.530349  0.361733  -0.0986184  -0.0158747  0.0237493   125 ASN   C HD21 
5559 H HD22 . ASN   C 113 ? 0.264801  0.528384  0.366222  -0.0964932  -0.0236534  0.0228269   125 ASN   C HD22 
5560 N N    . ALA   C 114 ? 0.171153  0.376334  0.209047  -0.0185076  -0.0215156  -0.0309631  126 ALA   C N    
5561 C CA   . ALA   C 114 ? 0.166479  0.336889  0.196243  -0.0295587  0.0069344   -0.0165512  126 ALA   C CA   
5562 C C    . ALA   C 114 ? 0.205558  0.341162  0.189719  -0.00559326 -0.0165289  -0.00966466 126 ALA   C C    
5563 O O    . ALA   C 114 ? 0.190226  0.320353  0.198936  -0.00522534 -0.00634269 0.0131901   126 ALA   C O    
5564 C CB   . ALA   C 114 ? 0.175769  0.327825  0.182699  -0.0312498  -0.00105131 0.00697405  126 ALA   C CB   
5565 H H    . ALA   C 114 ? 0.180099  0.362074  0.217158  -0.0213297  -0.00235604 -0.0117344  126 ALA   C H    
5566 H HA   . ALA   C 114 ? 0.186152  0.333057  0.202692  -0.0186744  0.00027599  -0.00891906 126 ALA   C HA   
5567 H HB1  . ALA   C 114 ? 0.182802  0.31967   0.194266  -0.0244055  0.00424359  0.00315544  126 ALA   C HB1  
5568 H HB2  . ALA   C 114 ? 0.182043  0.318913  0.193474  -0.0234897  0.00422699  0.00315735  126 ALA   C HB2  
5569 H HB3  . ALA   C 114 ? 0.182107  0.317763  0.192941  -0.0251357  0.00517296  0.00393972  126 ALA   C HB3  
5570 N N    . THR   C 115 ? 0.166177  0.337164  0.244631  -0.0136323  -0.0319058  0.0180755   127 THR   C N    
5571 C CA   . THR   C 115 ? 0.186031  0.307127  0.228229  -0.0345554  -0.0397212  0.0220611   127 THR   C CA   
5572 C C    . THR   C 115 ? 0.161506  0.280597  0.208056  -0.0220711  -0.0430798  0.0154781   127 THR   C C    
5573 O O    . THR   C 115 ? 0.170903  0.308469  0.255803  -0.0108199  -0.0170151  0.00407621  127 THR   C O    
5574 C CB   . THR   C 115 ? 0.210839  0.304339  0.252354  -0.0553703  -0.0636334  0.0222236   127 THR   C CB   
5575 O OG1  . THR   C 115 ? 0.261388  0.350496  0.311724  -0.078509   -0.11481    0.0283881   127 THR   C OG1  
5576 C CG2  . THR   C 115 ? 0.229684  0.270476  0.216639  -0.0484297  -0.0609976  0.014663    127 THR   C CG2  
5577 H H    . THR   C 115 ? 0.188171  0.320229  0.231343  -0.010956   -0.0238314  0.0122417   127 THR   C H    
5578 H HA   . THR   C 115 ? 0.190432  0.299537  0.232027  -0.0262273  -0.0347421  0.017783    127 THR   C HA   
5579 H HB   . THR   C 115 ? 0.222822  0.298921  0.250421  -0.0453621  -0.0566855  0.0189504   127 THR   C HB   
5580 H HG1  . THR   C 115 ? 0.30485   0.30485   0.30485   0           0           0           127 THR   C HG1  
5581 H HG21 . THR   C 115 ? 0.224726  0.273885  0.225239  -0.0425999  -0.0542843  0.0149155   127 THR   C HG21 
5582 H HG22 . THR   C 115 ? 0.224905  0.271656  0.227131  -0.0414182  -0.0526212  0.0139769   127 THR   C HG22 
5583 H HG23 . THR   C 115 ? 0.22522   0.273249  0.227187  -0.0429468  -0.0529741  0.0144501   127 THR   C HG23 
5584 N N    . LEU   C 116 ? 0.196709  0.275521  0.196631  -0.0118217  -0.0210041  0.00743601  128 LEU   C N    
5585 C CA   . LEU   C 116 ? 0.162702  0.273612  0.159076  -0.0137379  0.0153707   0.00345162  128 LEU   C CA   
5586 C C    . LEU   C 116 ? 0.155917  0.260088  0.149187  -0.0147717  0.0172636   0.00091278  128 LEU   C C    
5587 O O    . LEU   C 116 ? 0.125679  0.263491  0.188438  -0.0133478  0.0507349   0.0259822   128 LEU   C O    
5588 C CB   . LEU   C 116 ? 0.147783  0.294664  0.163024  -0.0287942  0.0102978   0.00970603  128 LEU   C CB   
5589 C CG   . LEU   C 116 ? 0.202613  0.359836  0.183893  0.0041041   0.00749819  0.00286505  128 LEU   C CG   
5590 C CD1  . LEU   C 116 ? 0.182466  0.392659  0.181422  0.00820415  0.00705026  -0.00669951 128 LEU   C CD1  
5591 C CD2  . LEU   C 116 ? 0.231436  0.403205  0.219516  0.00024102  0.00947092  -0.0126022  128 LEU   C CD2  
5592 H H    . LEU   C 116 ? 0.185782  0.270248  0.195355  -0.0121405  -0.0135095  0.00750379  128 LEU   C H    
5593 H HA   . LEU   C 116 ? 0.170094  0.264799  0.169704  -0.0121429  0.00982777  0.00362155  128 LEU   C HA   
5594 H HB2  . LEU   C 116 ? 0.166048  0.28759   0.171146  -0.0153326  0.0128676   0.00743222  128 LEU   C HB2  
5595 H HB3  . LEU   C 116 ? 0.160036  0.284016  0.17157   -0.0203908  0.0122793   0.00716525  128 LEU   C HB3  
5596 H HG   . LEU   C 116 ? 0.200682  0.346509  0.194489  0.00095702  0.0113673   0.00287837  128 LEU   C HG   
5597 H HD11 . LEU   C 116 ? 0.199902  0.368529  0.195003  0.00968351  0.0113241   0.0005728   128 LEU   C HD11 
5598 H HD12 . LEU   C 116 ? 0.199701  0.367965  0.194695  0.00929126  0.0116611   0.00075716  128 LEU   C HD12 
5599 H HD13 . LEU   C 116 ? 0.199312  0.366802  0.194984  0.00880039  0.0113029   0.00060249  128 LEU   C HD13 
5600 H HD21 . LEU   C 116 ? 0.233927  0.374072  0.221524  0.00341607  0.0122857   -0.00382868 128 LEU   C HD21 
5601 H HD22 . LEU   C 116 ? 0.23369   0.378093  0.222185  0.00479824  0.0111316   -0.00391105 128 LEU   C HD22 
5602 H HD23 . LEU   C 116 ? 0.233044  0.377503  0.226023  0.0043773   0.0101916   -0.00528536 128 LEU   C HD23 
5603 N N    . PHE   C 117 ? 0.173674  0.238778  0.153436  -0.0115551  0.0285789   -0.0226077  129 PHE   C N    
5604 C CA   . PHE   C 117 ? 0.153824  0.238281  0.166719  -0.0120164  0.0104143   -0.00691131 129 PHE   C CA   
5605 C C    . PHE   C 117 ? 0.150452  0.234839  0.171761  -0.0029593  0.0220779   -0.0114208  129 PHE   C C    
5606 O O    . PHE   C 117 ? 0.0854816 0.250106  0.21508   -0.00247206 0.044369    -0.0397854  129 PHE   C O    
5607 C CB   . PHE   C 117 ? 0.159654  0.248206  0.195967  0.00434168  0.00677245  -0.0159317  129 PHE   C CB   
5608 C CG   . PHE   C 117 ? 0.167061  0.276046  0.200117  0.0115683   0.0190816   0.0035353   129 PHE   C CG   
5609 C CD1  . PHE   C 117 ? 0.182345  0.300808  0.208292  0.00289978  0.06468     0.00804974  129 PHE   C CD1  
5610 C CD2  . PHE   C 117 ? 0.173104  0.266502  0.196749  0.0187119   0.0341817   -0.00907237 129 PHE   C CD2  
5611 C CE1  . PHE   C 117 ? 0.187118  0.284175  0.218631  0.0208238   0.0584224   0.0147912   129 PHE   C CE1  
5612 C CE2  . PHE   C 117 ? 0.229468  0.26508   0.223498  0.022508    0.026418    0.0193021   129 PHE   C CE2  
5613 C CZ   . PHE   C 117 ? 0.1815    0.276058  0.188058  0.0356368   0.0878346   0.0222859   129 PHE   C CZ   
5614 H H    . PHE   C 117 ? 0.168016  0.233754  0.156395  -0.00962985 0.0210486   -0.0149119  129 PHE   C H    
5615 H HA   . PHE   C 117 ? 0.161374  0.234341  0.172297  -0.00600663 0.0152202   -0.00934187 129 PHE   C HA   
5616 H HB2  . PHE   C 117 ? 0.163972  0.245189  0.190291  0.00179377  0.00994482  -0.00792054 129 PHE   C HB2  
5617 H HB3  . PHE   C 117 ? 0.165004  0.243885  0.189502  0.00224671  0.0104991   -0.008894   129 PHE   C HB3  
5618 H HD1  . PHE   C 117 ? 0.186281  0.284432  0.211209  0.00916327  0.0474422   0.00798824  129 PHE   C HD1  
5619 H HD2  . PHE   C 117 ? 0.186184  0.261769  0.198477  0.0155681   0.0267543   -0.00201451 129 PHE   C HD2  
5620 H HE1  . PHE   C 117 ? 0.190144  0.281038  0.213186  0.0183606   0.0603414   0.0141552   129 PHE   C HE1  
5621 H HE2  . PHE   C 117 ? 0.207826  0.267808  0.211254  0.023002    0.0400726   0.0114761   129 PHE   C HE2  
5622 H HZ   . PHE   C 117 ? 0.186924  0.267611  0.189554  0.0211631   0.0706426   0.0225089   129 PHE   C HZ   
5623 N N    . PHE   C 118 ? 0.147917  0.224644  0.151929  0.0155211   0.00573636  -0.00888454 130 PHE   C N    
5624 C CA   . PHE   C 118 ? 0.16368   0.233074  0.15878   0.0101886   0.0140424   0.00180899  130 PHE   C CA   
5625 C C    . PHE   C 118 ? 0.192462  0.232836  0.153629  0.0137324   0.00638592  0.0116481   130 PHE   C C    
5626 O O    . PHE   C 118 ? 0.180975  0.223215  0.163831  -0.00083179 -0.0268854  0.0193516   130 PHE   C O    
5627 C CB   . PHE   C 118 ? 0.155865  0.238066  0.151507  0.00619572  0.00539193  0.0049707   130 PHE   C CB   
5628 C CG   . PHE   C 118 ? 0.155315  0.211306  0.155449  -0.0104141  0.00179851  0.00325116  130 PHE   C CG   
5629 C CD1  . PHE   C 118 ? 0.167784  0.215864  0.151528  -0.0270264  0.00826028  -0.00646211 130 PHE   C CD1  
5630 C CD2  . PHE   C 118 ? 0.161875  0.210102  0.177181  -0.0242427  0.00232538  -0.00491077 130 PHE   C CD2  
5631 C CE1  . PHE   C 118 ? 0.162087  0.226925  0.159522  -0.0308616  0.0302538   -0.00400743 130 PHE   C CE1  
5632 C CE2  . PHE   C 118 ? 0.156099  0.19845   0.171258  -0.0292277  0.0105031   -0.00886112 130 PHE   C CE2  
5633 C CZ   . PHE   C 118 ? 0.154633  0.230571  0.174537  -0.0270091  0.0264135   0.00144524  130 PHE   C CZ   
5634 H H    . PHE   C 118 ? 0.154385  0.220951  0.158468  0.00817895  0.0108382   -0.00785011 130 PHE   C H    
5635 H HA   . PHE   C 118 ? 0.165749  0.227791  0.15955   0.00991626  0.0105931   0.00184426  130 PHE   C HA   
5636 H HB2  . PHE   C 118 ? 0.160621  0.226549  0.158381  0.00308397  0.00746142  0.00467648  130 PHE   C HB2  
5637 H HB3  . PHE   C 118 ? 0.160423  0.225604  0.157943  0.00287063  0.00737801  0.00404256  130 PHE   C HB3  
5638 H HD1  . PHE   C 118 ? 0.164664  0.212367  0.155322  -0.0216881  0.0098719   -0.00428242 130 PHE   C HD1  
5639 H HD2  . PHE   C 118 ? 0.162123  0.205897  0.171692  -0.0189136  0.00517996  -0.00315413 130 PHE   C HD2  
5640 H HE1  . PHE   C 118 ? 0.163583  0.219263  0.163692  -0.0257167  0.0223585   -0.00229789 130 PHE   C HE1  
5641 H HE2  . PHE   C 118 ? 0.158385  0.20375   0.170298  -0.0244089  0.0104005   -0.00581698 130 PHE   C HE2  
5642 H HZ   . PHE   C 118 ? 0.160798  0.218164  0.17229   -0.0238861  0.0213596   -0.00168609 130 PHE   C HZ   
5643 N N    . GLU   C 119 ? 0.155944  0.235322  0.133051  0.0225171   0.0353528   0.00113497  131 GLU   C N    
5644 C CA   . GLU   C 119 ? 0.133753  0.225111  0.142962  0.0289419   0.0420476   -0.00505819 131 GLU   C CA   
5645 C C    . GLU   C 119 ? 0.170093  0.213436  0.132013  0.0398      0.0232791   -0.00347064 131 GLU   C C    
5646 O O    . GLU   C 119 ? 0.167653  0.237217  0.159818  0.069829    0.00513079  -0.0409924  131 GLU   C O    
5647 C CB   . GLU   C 119 ? 0.0897895 0.214862  0.138673  0.0303348   0.0559782   0.00581191  131 GLU   C CB   
5648 C CG   . GLU   C 119 ? 0.0894998 0.208817  0.145378  0.0215121   0.0528618   0.014713    131 GLU   C CG   
5649 C CD   . GLU   C 119 ? 0.117277  0.213132  0.169655  0.0115423   0.036932    0.0145039   131 GLU   C CD   
5650 O OE1  . GLU   C 119 ? 0.154652  0.218881  0.192144  -0.00152862 0.0219259   0.0267487   131 GLU   C OE1  
5651 O OE2  . GLU   C 119 ? 0.180595  0.225506  0.238078  -0.0146041  0.00778752  0.00086677  131 GLU   C OE2  
5652 H H    . GLU   C 119 ? 0.160702  0.225319  0.143371  0.019423    0.0284986   0.0009943   131 GLU   C H    
5653 H HA   . GLU   C 119 ? 0.140912  0.216887  0.142181  0.0259426   0.0358938   -0.0004372  131 GLU   C HA   
5654 H HB2  . GLU   C 119 ? 0.103652  0.208451  0.142052  0.0262874   0.0461454   0.00668144  131 GLU   C HB2  
5655 H HB3  . GLU   C 119 ? 0.105801  0.207958  0.141413  0.0255196   0.0473833   0.00538934  131 GLU   C HB3  
5656 H HG2  . GLU   C 119 ? 0.101447  0.204776  0.148444  0.0205127   0.0446739   0.012364    131 GLU   C HG2  
5657 H HG3  . GLU   C 119 ? 0.103253  0.204275  0.147659  0.0199196   0.0456515   0.0113759   131 GLU   C HG3  
5658 N N    . ILE   C 120 ? 0.159052  0.203476  0.116511  0.0155858   0.0235837   -0.0111977  132 ILE   C N    
5659 C CA   . ILE   C 120 ? 0.153658  0.172997  0.125047  0.019412    0.029485    0.00330532  132 ILE   C CA   
5660 C C    . ILE   C 120 ? 0.155945  0.163418  0.140783  0.0197153   0.0308432   0.0113373   132 ILE   C C    
5661 O O    . ILE   C 120 ? 0.13141   0.192352  0.153623  -1.393e-05  0.0392302   0.00150525  132 ILE   C O    
5662 C CB   . ILE   C 120 ? 0.145141  0.193743  0.119579  0.0132552   0.0239314   0.00423877  132 ILE   C CB   
5663 C CG1  . ILE   C 120 ? 0.145371  0.20193   0.117726  0.0135629   0.0275976   0.00416607  132 ILE   C CG1  
5664 C CG2  . ILE   C 120 ? 0.154925  0.202888  0.143934  0.0236367   0.0250967   -0.00341533 132 ILE   C CG2  
5665 C CD1  . ILE   C 120 ? 0.149331  0.211485  0.104953  0.00411981  0.0364163   0.00514304  132 ILE   C CD1  
5666 H H    . ILE   C 120 ? 0.159085  0.193668  0.122319  0.0191709   0.0217914   -0.00596614 132 ILE   C H    
5667 H HA   . ILE   C 120 ? 0.153198  0.178622  0.128628  0.0155175   0.0248463   0.00187632  132 ILE   C HA   
5668 H HB   . ILE   C 120 ? 0.14871   0.188302  0.126625  0.0144927   0.023481    0.00202731  132 ILE   C HB   
5669 H HG12 . ILE   C 120 ? 0.147514  0.19735   0.120858  0.0109405   0.0266296   0.00456314  132 ILE   C HG12 
5670 H HG13 . ILE   C 120 ? 0.146907  0.197209  0.120683  0.0114494   0.0261989   0.00477347  132 ILE   C HG13 
5671 H HG21 . ILE   C 120 ? 0.153879  0.198694  0.140504  0.0183245   0.0226521   -0.00048802 132 ILE   C HG21 
5672 H HG22 . ILE   C 120 ? 0.153954  0.197773  0.14185   0.0184352   0.0229252   0.00045234  132 ILE   C HG22 
5673 H HG23 . ILE   C 120 ? 0.154831  0.197218  0.141506  0.0182916   0.0216721   -0.00023749 132 ILE   C HG23 
5674 H HD11 . ILE   C 120 ? 0.149406  0.202772  0.113735  0.00675006  0.0317294   0.00399071  132 ILE   C HD11 
5675 H HD12 . ILE   C 120 ? 0.147432  0.203229  0.114085  0.0066456   0.0333629   0.0048629   132 ILE   C HD12 
5676 H HD13 . ILE   C 120 ? 0.150323  0.203508  0.115529  0.00654408  0.0324213   0.00441298  132 ILE   C HD13 
5677 N N    . GLU   C 121 ? 0.175151  0.188026  0.143715  -0.00705351 0.0311201   0.00895211  133 GLU   C N    
5678 C CA   . GLU   C 121 ? 0.18104   0.195883  0.13582   -0.0007032  0.0325569   0.0168375   133 GLU   C CA   
5679 C C    . GLU   C 121 ? 0.182639  0.170954  0.124278  -0.0218058  0.0417719   0.0234939   133 GLU   C C    
5680 O O    . GLU   C 121 ? 0.194744  0.178516  0.128901  0.00592963  0.0271027   0.00191621  133 GLU   C O    
5681 C CB   . GLU   C 121 ? 0.190016  0.184766  0.156046  0.00315754  0.030821    0.0358652   133 GLU   C CB   
5682 C CG   . GLU   C 121 ? 0.198115  0.220344  0.192724  -0.00084984 0.0378321   0.0355815   133 GLU   C CG   
5683 C CD   . GLU   C 121 ? 0.235728  0.231181  0.273915  -0.0204231  0.0495482   0.00795578  133 GLU   C CD   
5684 O OE1  . GLU   C 121 ? 0.268795  0.266584  0.376319  -0.00870563 0.0644855   -0.0160097  133 GLU   C OE1  
5685 O OE2  . GLU   C 121 ? 0.282089  0.253822  0.308562  -0.0131142  0.093117    0.0617458   133 GLU   C OE2  
5686 H H    . GLU   C 121 ? 0.17011   0.182993  0.144778  0.00137497  0.0286668   0.0100573   133 GLU   C H    
5687 H HA   . GLU   C 121 ? 0.178688  0.18695   0.141258  -0.00473028 0.0309266   0.0171589   133 GLU   C HA   
5688 H HB2  . GLU   C 121 ? 0.185332  0.191363  0.159161  0.00311878  0.0284046   0.0285958   133 GLU   C HB2  
5689 H HB3  . GLU   C 121 ? 0.186327  0.192868  0.159793  0.00167913  0.0295056   0.0276069   133 GLU   C HB3  
5690 H HG2  . GLU   C 121 ? 0.200988  0.211074  0.196621  -0.00231511 0.033573    0.027064    133 GLU   C HG2  
5691 H HG3  . GLU   C 121 ? 0.201853  0.212125  0.197998  -0.00292529 0.0342538   0.0267251   133 GLU   C HG3  
5692 N N    . LEU   C 122 ? 0.153424  0.195654  0.135476  -0.034245   0.0638786   0.0269955   134 LEU   C N    
5693 C CA   . LEU   C 122 ? 0.148902  0.205946  0.155437  -0.0331391  0.0574024   0.0340423   134 LEU   C CA   
5694 C C    . LEU   C 122 ? 0.148387  0.220098  0.174458  -0.0455376  0.0749034   0.0168741   134 LEU   C C    
5695 O O    . LEU   C 122 ? 0.24286   0.268827  0.154032  -0.02061    0.0481146   0.00555841  134 LEU   C O    
5696 C CB   . LEU   C 122 ? 0.165063  0.215915  0.171165  -0.0176036  0.0591979   0.0152882   134 LEU   C CB   
5697 C CG   . LEU   C 122 ? 0.208439  0.239614  0.191463  -0.00462837 0.0470735   0.0177747   134 LEU   C CG   
5698 C CD1  . LEU   C 122 ? 0.186356  0.236505  0.177142  -0.00609671 0.0534785   0.014658    134 LEU   C CD1  
5699 C CD2  . LEU   C 122 ? 0.208764  0.251937  0.231709  0.00940539  0.0400584   0.00648651  134 LEU   C CD2  
5700 H H    . LEU   C 122 ? 0.159755  0.189024  0.140882  -0.026436   0.0509255   0.024449    134 LEU   C H    
5701 H HA   . LEU   C 122 ? 0.154253  0.204304  0.156953  -0.0279243  0.0554376   0.0229062   134 LEU   C HA   
5702 H HB2  . LEU   C 122 ? 0.167652  0.214004  0.172676  -0.0170787  0.0503302   0.0181995   134 LEU   C HB2  
5703 H HB3  . LEU   C 122 ? 0.169734  0.214353  0.172623  -0.0164462  0.0502084   0.0180291   134 LEU   C HB3  
5704 H HG   . LEU   C 122 ? 0.202374  0.234062  0.19382   -0.00305706 0.0428311   0.0128217   134 LEU   C HG   
5705 H HD11 . LEU   C 122 ? 0.191165  0.231663  0.183297  -0.00579225 0.0457639   0.0138992   134 LEU   C HD11 
5706 H HD12 . LEU   C 122 ? 0.191491  0.232482  0.184033  -0.00508568 0.0454052   0.014189    134 LEU   C HD12 
5707 H HD13 . LEU   C 122 ? 0.188736  0.232573  0.183633  -0.00609508 0.0464657   0.0143306   134 LEU   C HD13 
5708 H HD21 . LEU   C 122 ? 0.211241  0.246076  0.227868  0.00433774  0.0370527   0.00785939  134 LEU   C HD21 
5709 H HD22 . LEU   C 122 ? 0.212261  0.245883  0.222265  0.00453039  0.037085    0.00835997  134 LEU   C HD22 
5710 H HD23 . LEU   C 122 ? 0.21123   0.246379  0.222518  0.00415463  0.037449    0.00843903  134 LEU   C HD23 
5711 N N    . LEU   C 123 ? 0.170512  0.218072  0.144285  -0.024869   0.0768137   -0.00891206 135 LEU   C N    
5712 C CA   . LEU   C 123 ? 0.155645  0.235776  0.160107  -0.0109728  0.0784246   0.00580162  135 LEU   C CA   
5713 C C    . LEU   C 123 ? 0.187687  0.254511  0.167983  0.00289919  0.0786801   -0.00211236 135 LEU   C C    
5714 O O    . LEU   C 123 ? 0.192228  0.321684  0.202066  0.0134058   0.103374    -0.0112787  135 LEU   C O    
5715 C CB   . LEU   C 123 ? 0.19324   0.240277  0.182443  -0.008122   0.0519928   0.00474548  135 LEU   C CB   
5716 C CG   . LEU   C 123 ? 0.259123  0.228155  0.192142  0.00307216  0.0248662   -0.0062157  135 LEU   C CG   
5717 C CD1  . LEU   C 123 ? 0.273926  0.232858  0.19431   0.0229943   0.00773834  -0.00662428 135 LEU   C CD1  
5718 C CD2  . LEU   C 123 ? 0.265722  0.267623  0.197686  -0.0178909  0.0128631   0.00842401  135 LEU   C CD2  
5719 H H    . LEU   C 123 ? 0.162157  0.217704  0.152591  -0.0236909  0.0701545   0.00223908  135 LEU   C H    
5720 H HA   . LEU   C 123 ? 0.172467  0.229733  0.163069  -0.00980909 0.0652554   0.00308713  135 LEU   C HA   
5721 H HB2  . LEU   C 123 ? 0.197138  0.233957  0.182896  -0.00597948 0.0472816   0.00232155  135 LEU   C HB2  
5722 H HB3  . LEU   C 123 ? 0.195881  0.233726  0.18246   -0.00688513 0.0475299   0.00279182  135 LEU   C HB3  
5723 H HG   . LEU   C 123 ? 0.247855  0.238486  0.195687  0.00164737  0.0238427   -0.00075898 135 LEU   C HG   
5724 H HD11 . LEU   C 123 ? 0.264017  0.234208  0.200642  0.014944    0.0131973   -0.00561385 135 LEU   C HD11 
5725 H HD12 . LEU   C 123 ? 0.263836  0.233052  0.200496  0.0155546   0.0133993   -0.00525014 135 LEU   C HD12 
5726 H HD13 . LEU   C 123 ? 0.265832  0.233911  0.200005  0.0158059   0.0134406   -0.00500973 135 LEU   C HD13 
5727 H HD21 . LEU   C 123 ? 0.259854  0.255796  0.203417  -0.0106412  0.0167202   0.00508999  135 LEU   C HD21 
5728 H HD22 . LEU   C 123 ? 0.260265  0.255644  0.20254   -0.0109249  0.0159278   0.00452862  135 LEU   C HD22 
5729 H HD23 . LEU   C 123 ? 0.263345  0.258704  0.202707  -0.0134306  0.0152665   0.0051779   135 LEU   C HD23 
5730 N N    . ASP   C 124 ? 0.154552  0.244054  0.187682  0.00552566  0.0474369   -0.0248217  136 ASP   C N    
5731 C CA   . ASP   C 124 ? 0.186088  0.249533  0.208536  0.00412746  0.0285617   -0.00880698 136 ASP   C CA   
5732 C C    . ASP   C 124 ? 0.13305   0.23837   0.196247  -0.017755   0.0365846   -0.0137686  136 ASP   C C    
5733 O O    . ASP   C 124 ? 0.153808  0.23167   0.191505  -0.00022562 0.0317207   0.00106765  136 ASP   C O    
5734 C CB   . ASP   C 124 ? 0.181197  0.307825  0.233781  0.00207419  0.0416704   -0.00928346 136 ASP   C CB   
5735 C CG   . ASP   C 124 ? 0.219761  0.353245  0.289964  0.0320349   0.0397861   -0.0374119  136 ASP   C CG   
5736 O OD1  . ASP   C 124 ? 0.24846   0.359506  0.251003  0.0228693   0.109594    -0.0179208  136 ASP   C OD1  
5737 O OD2  . ASP   C 124 ? 0.225873  0.385113  0.366421  -0.00380477 0.0634867   -0.0300354  136 ASP   C OD2  
5738 H H    . ASP   C 124 ? 0.16843   0.241283  0.186812  0.00331381  0.0482215   -0.012642   136 ASP   C H    
5739 H HA   . ASP   C 124 ? 0.173984  0.251076  0.210288  0.0004007   0.0335291   -0.00963702 136 ASP   C HA   
5740 H HB2  . ASP   C 124 ? 0.196302  0.293723  0.236901  0.00833922  0.0358711   -0.0119959  136 ASP   C HB2  
5741 H HB3  . ASP   C 124 ? 0.195898  0.292556  0.234971  0.00805617  0.035704    -0.0116269  136 ASP   C HB3  
5742 N N    . PHE   C 125 ? 0.166865  0.226535  0.191679  -0.00149495 0.03918     -0.00909443 137 PHE   C N    
5743 C CA   . PHE   C 125 ? 0.159516  0.240617  0.201022  0.0166636   0.0416064   -0.00819291 137 PHE   C CA   
5744 C C    . PHE   C 125 ? 0.149203  0.28084   0.224565  0.035881    0.0600506   -0.00161935 137 PHE   C C    
5745 O O    . PHE   C 125 ? 0.179168  0.310499  0.218405  0.0544643   0.0841108   -0.0112191  137 PHE   C O    
5746 C CB   . PHE   C 125 ? 0.17507   0.2648    0.228464  0.0224123   0.0315953   -0.0106061  137 PHE   C CB   
5747 C CG   . PHE   C 125 ? 0.193802  0.285829  0.242797  0.0130985   0.0403611   -0.0194887  137 PHE   C CG   
5748 C CD1  . PHE   C 125 ? 0.257076  0.300291  0.262158  0.0341626   0.0464914   -0.00471583 137 PHE   C CD1  
5749 C CD2  . PHE   C 125 ? 0.241673  0.293508  0.252553  0.0159486   0.047214    -0.00538379 137 PHE   C CD2  
5750 C CE1  . PHE   C 125 ? 0.276993  0.288337  0.265455  0.0301443   0.0517259   -0.0185609  137 PHE   C CE1  
5751 C CE2  . PHE   C 125 ? 0.299082  0.328192  0.273102  -0.00626842 0.0316155   -0.0370974  137 PHE   C CE2  
5752 C CZ   . PHE   C 125 ? 0.304848  0.296031  0.298137  0.0130634   0.0427559   -0.0265984  137 PHE   C CZ   
5753 H H    . PHE   C 125 ? 0.163129  0.229748  0.195641  -0.00042867 0.0349973   -0.00834387 137 PHE   C H    
5754 H HA   . PHE   C 125 ? 0.167305  0.242901  0.203201  0.0157537   0.0394311   -0.00706942 137 PHE   C HA   
5755 H HB2  . PHE   C 125 ? 0.181327  0.259155  0.224311  0.0172827   0.0326433   -0.010405   137 PHE   C HB2  
5756 H HB3  . PHE   C 125 ? 0.180589  0.2582    0.223946  0.0177428   0.0327829   -0.0100271  137 PHE   C HB3  
5757 H HD1  . PHE   C 125 ? 0.248128  0.293315  0.259363  0.0230204   0.0407174   -0.00997831 137 PHE   C HD1  
5758 H HD2  . PHE   C 125 ? 0.242457  0.292748  0.252231  0.0104621   0.0359291   -0.0112534  137 PHE   C HD2  
5759 H HE1  . PHE   C 125 ? 0.276893  0.290978  0.270049  0.0236217   0.042869    -0.0143945  137 PHE   C HE1  
5760 H HE2  . PHE   C 125 ? 0.288242  0.319646  0.276664  -0.00021869 0.0330243   -0.02108    137 PHE   C HE2  
5761 H HZ   . PHE   C 125 ? 0.295714  0.302681  0.290385  0.0111528   0.0374867   -0.02118    137 PHE   C HZ   
5762 N N    . LYS   C 126 ? 0.15397   0.298914  0.261261  0.0418264   0.0610311   0.0171151   138 LYS   C N    
5763 C CA   . LYS   C 126 ? 0.204658  0.305762  0.307726  0.0573397   0.0107842   0.0286469   138 LYS   C CA   
5764 C C    . LYS   C 126 ? 0.260222  0.305481  0.377481  0.0730757   0.0113017   0.0268871   138 LYS   C C    
5765 O O    . LYS   C 126 ? 0.218701  0.27885   0.36431   0.0673935   0.0298375   0.0315687   138 LYS   C O    
5766 C CB   . LYS   C 126 ? 0.187009  0.345804  0.367106  0.0279325   -0.0390952  0.0466377   138 LYS   C CB   
5767 H H    . LYS   C 126 ? 0.167781  0.288977  0.250549  0.0389186   0.0521728   0.0131761   138 LYS   C H    
5768 H HA   . LYS   C 126 ? 0.20885   0.308164  0.30931   0.046245    0.0160713   0.0250661   138 LYS   C HA   
5769 H HB2  . LYS   C 126 ? 0.297504  0.297504  0.297504  0           0           0           138 LYS   C HB2  
5770 H HB3  . LYS   C 126 ? 0.297504  0.297504  0.297504  0           0           0           138 LYS   C HB3  
5771 N N    . GLY   C 127 ? 0.280114  0.350846  0.420428  0.104655    0.0388033   0.0201797   139 GLY   C N    
5772 C CA   . GLY   C 127 ? 0.348432  0.332641  0.451922  0.133325    0.0201204   0.0431387   139 GLY   C CA   
5773 C C    . GLY   C 127 ? 0.365773  0.458699  0.480143  0.0824085   0.00798296  0.0605639   139 GLY   C C    
5774 O O    . GLY   C 127 ? 0.466276  0.456808  0.541373  0.0506184   -0.0844752  0.13075     139 GLY   C O    
5775 H H    . GLY   C 127 ? 0.290668  0.337851  0.401109  0.0884414   0.0289944   0.0241896   139 GLY   C H    
5776 H HA2  . GLY   C 127 ? 0.345855  0.361265  0.435245  0.102511    0.0225993   0.0345131   139 GLY   C HA2  
5777 H HA3  . GLY   C 127 ? 0.336263  0.353609  0.436783  0.105261    0.0226889   0.0301936   139 GLY   C HA3  
5778 N N    . GLU   C 128 ? 0.356356  0.551052  0.51446   0.0441076   -0.00128751 0.118704    140 GLU   C N    
5779 C CA   . GLU   C 128 ? 0.381557  0.691242  0.551195  0.00332108  0.00260001  0.0709149   140 GLU   C CA   
5780 C C    . GLU   C 128 ? 0.502366  0.712239  0.588154  0.087745    -0.112787   0.0265976   140 GLU   C C    
5781 O O    . GLU   C 128 ? 0.452749  0.689221  0.703243  0.146094    -0.0518064  0.0809296   140 GLU   C O    
5782 C CB   . GLU   C 128 ? 0.347664  0.776301  0.622532  -0.0195819  0.0516116   0.0846946   140 GLU   C CB   
5783 O OXT  . GLU   C 128 ? 0.748067  0.808876  0.525455  0.00655919  -0.104445   -0.0242305  140 GLU   C OXT  
5784 H H    . GLU   C 128 ? 0.378409  0.541998  0.508608  0.0422453   0.00602385  0.0821093   140 GLU   C H    
5785 H HA   . GLU   C 128 ? 0.412101  0.660442  0.560935  0.02126     -0.00264033 0.0697892   140 GLU   C HA   
5786 H HB2  . GLU   C 128 ? 0.58019   0.58019   0.58019   0           0           0           140 GLU   C HB2  
5787 H HB3  . GLU   C 128 ? 0.58019   0.58019   0.58019   0           0           0           140 GLU   C HB3  
5788 C C4   . A1INZ D .   ? 0.141405  0.284849  0.135699  0.00081698  0.0182996   -0.00821061 201 A1INZ A C4   
5789 C C14  . A1INZ D .   ? 0.0864813 0.285641  0.166889  0.00832988  0.0189126   0.0384304   201 A1INZ A C14  
5790 C C5   . A1INZ D .   ? 0.142413  0.290737  0.152862  -0.00769137 0.0147692   0.00653999  201 A1INZ A C5   
5791 C C6   . A1INZ D .   ? 0.167102  0.311594  0.137277  -0.00676685 0.0311007   0.0186186   201 A1INZ A C6   
5792 C C11  . A1INZ D .   ? 0.179805  0.384488  0.200554  0.0280097   0.029273    0.0242506   201 A1INZ A C11  
5793 C C7   . A1INZ D .   ? 0.187512  0.355574  0.141723  -0.0202747  0.0332105   0.016567    201 A1INZ A C7   
5794 C C8   . A1INZ D .   ? 0.269001  0.454447  0.188598  0.00522343  0.0450391   -0.0477982  201 A1INZ A C8   
5795 C C9   . A1INZ D .   ? 0.145243  0.338698  0.181464  0.0373471   0.0395734   0.0405417   201 A1INZ A C9   
5796 C C10  . A1INZ D .   ? 0.183797  0.372807  0.192747  0.0223122   0.0436435   0.042573    201 A1INZ A C10  
5797 C C12  . A1INZ D .   ? 0.166226  0.299784  0.187131  0.00102985  0.0106565   0.0294101   201 A1INZ A C12  
5798 C C13  . A1INZ D .   ? 0.0890648 0.297062  0.190213  0.00329041  0.0103235   0.0317954   201 A1INZ A C13  
5799 N N1   . A1INZ D .   ? 0.158911  0.329427  0.21081   0.0187943   0.0132179   0.0199417   201 A1INZ A N1   
5800 N N2   . A1INZ D .   ? 0.14821   0.315505  0.206722  -0.0109471  0.0228622   0.0320336   201 A1INZ A N2   
5801 C C3   . A1INZ D .   ? 0.121371  0.313165  0.168833  -0.0221829  0.028984    -0.0022997  201 A1INZ A C3   
5802 N N3   . A1INZ D .   ? 0.143656  0.334069  0.209413  0.0204171   -0.00983339 0.00912887  201 A1INZ A N3   
5803 C C1   . A1INZ D .   ? 0.239459  0.416639  0.233024  -0.109621   0.0290205   0.0208157   201 A1INZ A C1   
5804 O O1   . A1INZ D .   ? 0.204402  0.408213  0.211095  -0.0839516  -0.00167323 0.0266927   201 A1INZ A O1   
5805 C C2   . A1INZ D .   ? 0.148491  0.332498  0.182573  -0.0413241  0.0347742   -0.0137891  201 A1INZ A C2   
5806 O O2   . A1INZ D .   ? 0.24081   0.424504  0.139427  0.00932079  0.0317394   -0.0153464  201 A1INZ A O2   
5807 O O3   . A1INZ D .   ? 0.157941  0.315368  0.156617  0.0141955   0.0516095   0.0402445   201 A1INZ A O3   
5808 C C15  . A1INZ D .   ? 0.0446907 0.268824  0.132011  -0.0145447  0.0665104   0.0263608   201 A1INZ A C15  
5809 C C16  . A1INZ D .   ? 0.0306427 0.276939  0.171779  -0.0226025  0.0547416   0.051708    201 A1INZ A C16  
5810 C C17  . A1INZ D .   ? 0.0765289 0.263646  0.12028   -0.00355182 0.0768968   0.0232584   201 A1INZ A C17  
5811 O O4   . A1INZ D .   ? 0.0844364 0.247641  0.128977  -0.0124074  0.0588431   0.0218      201 A1INZ A O4   
5812 C C18  . A1INZ D .   ? 0.0660323 0.233182  0.141562  0.018476    0.088082    -0.00688265 201 A1INZ A C18  
5813 O O5   . A1INZ D .   ? 0.0905572 0.233496  0.119961  -0.0180348  0.0956193   -0.00347077 201 A1INZ A O5   
5814 C C19  . A1INZ D .   ? 0.0681028 0.229416  0.124132  0.00628055  0.0756706   0.00219798  201 A1INZ A C19  
5815 C C20  . A1INZ D .   ? 0.0939404 0.24473   0.121259  0.0128504   0.0862541   0.00131617  201 A1INZ A C20  
5816 C C21  . A1INZ D .   ? 0.135442  0.242002  0.118857  0.00099699  0.0583378   0.00526145  201 A1INZ A C21  
5817 C C22  . A1INZ D .   ? 0.105325  0.232388  0.128101  0.00721767  0.0668142   0.0131335   201 A1INZ A C22  
5818 C C23  . A1INZ D .   ? 0.121644  0.21187   0.118661  0.0103983   0.0681964   0.00177142  201 A1INZ A C23  
5819 N N4   . A1INZ D .   ? 0.106557  0.218923  0.123358  0.016873    0.0478266   0.00452552  201 A1INZ A N4   
5820 C C24  . A1INZ D .   ? 0.123964  0.225338  0.127038  0.019439    0.0528496   0.00105916  201 A1INZ A C24  
5821 O O6   . A1INZ D .   ? 0.148202  0.258412  0.130911  0.0277555   0.0438716   -0.0157184  201 A1INZ A O6   
5822 C C25  . A1INZ D .   ? 0.128394  0.239195  0.116184  0.0169013   0.040049    -0.00107101 201 A1INZ A C25  
5823 C C26  . A1INZ D .   ? 0.114415  0.232517  0.13866   0.017582    0.0169673   0.00383242  201 A1INZ A C26  
5824 C C27  . A1INZ D .   ? 0.0859546 0.237573  0.144693  0.0426859   0.032572    0.00542881  201 A1INZ A C27  
5825 C C28  . A1INZ D .   ? 0.0793286 0.267631  0.153241  0.0447521   0.0405002   -0.00236789 201 A1INZ A C28  
5826 C C29  . A1INZ D .   ? 0.109727  0.262887  0.173896  0.0590126   0.0280447   0.0149135   201 A1INZ A C29  
5827 C C30  . A1INZ D .   ? 0.145885  0.272239  0.185867  0.0470958   0.0124855   0.00644307  201 A1INZ A C30  
5828 C C31  . A1INZ D .   ? 0.125672  0.26819   0.15812   0.0395737   0.0137372   0.00588654  201 A1INZ A C31  
5829 H H17  . A1INZ D .   ? 0.0885872 0.272101  0.166409  0.00330433  0.0301886   0.0322414   201 A1INZ A H17  
5830 H H16  . A1INZ D .   ? 0.089367  0.271716  0.167769  0.00476168  0.0319813   0.0329327   201 A1INZ A H16  
5831 H H5   . A1INZ D .   ? 0.15211   0.280306  0.153485  -0.00506922 0.0188618   0.00589703  201 A1INZ A H5   
5832 H H13  . A1INZ D .   ? 0.18821   0.357239  0.214542  0.0252942   0.0270547   0.0241409   201 A1INZ A H13  
5833 H H14  . A1INZ D .   ? 0.187661  0.354587  0.212363  0.0239497   0.0284024   0.0257182   201 A1INZ A H14  
5834 H H7   . A1INZ D .   ? 0.269129  0.431061  0.200054  0.0104425   0.0430002   -0.0267295  201 A1INZ A H7   
5835 H H8   . A1INZ D .   ? 0.267125  0.428871  0.195618  0.0101077   0.0420695   -0.0257028  201 A1INZ A H8   
5836 H H6   . A1INZ D .   ? 0.268564  0.432702  0.196046  0.0103928   0.042198    -0.0270541  201 A1INZ A H6   
5837 H H9   . A1INZ D .   ? 0.164218  0.324602  0.183884  0.029103    0.0421073   0.0368187   201 A1INZ A H9   
5838 H H10  . A1INZ D .   ? 0.162455  0.325415  0.181384  0.0285513   0.0380392   0.0388748   201 A1INZ A H10  
5839 H H11  . A1INZ D .   ? 0.185075  0.353461  0.202976  0.0240327   0.0381522   0.0354513   201 A1INZ A H11  
5840 H H12  . A1INZ D .   ? 0.186658  0.355813  0.203571  0.0230325   0.0363672   0.036849    201 A1INZ A H12  
5841 H H15  . A1INZ D .   ? 0.154267  0.291276  0.198044  0.005018    0.0123609   0.0254381   201 A1INZ A H15  
5842 H H4   . A1INZ D .   ? 0.144918  0.298689  0.169973  -0.0163558  0.0294592   0.0002442   201 A1INZ A H4   
5843 H H2   . A1INZ D .   ? 0.237919  0.401891  0.2377    -0.0849512  0.0212568   0.0215014   201 A1INZ A H2   
5844 H H3   . A1INZ D .   ? 0.239715  0.403222  0.237934  -0.0863635  0.0236003   0.0195549   201 A1INZ A H3   
5845 H H1   . A1INZ D .   ? 0.236902  0.400988  0.237816  -0.0839373  0.0210153   0.0218229   201 A1INZ A H1   
5846 H H18  . A1INZ D .   ? 0.0644473 0.255961  0.146391  -0.00232844 0.0607768   0.033122    201 A1INZ A H18  
5847 H H20  . A1INZ D .   ? 0.0510435 0.263499  0.163286  -0.0116437  0.060061    0.0437955   201 A1INZ A H20  
5848 H H21  . A1INZ D .   ? 0.0502714 0.26109   0.159503  -0.0140465  0.0579431   0.0417293   201 A1INZ A H21  
5849 H H19  . A1INZ D .   ? 0.0508802 0.264245  0.16347   -0.0122807  0.0606601   0.0433187   201 A1INZ A H19  
5850 H H23  . A1INZ D .   ? 0.081314  0.249206  0.131978  -0.0024168  0.0685059   0.0239892   201 A1INZ A H23  
5851 H H22  . A1INZ D .   ? 0.0769523 0.250675  0.130963  -0.00477223 0.0706994   0.0257235   201 A1INZ A H22  
5852 H H24  . A1INZ D .   ? 0.0835993 0.220854  0.129307  0.0113697   0.0656804   0.00205313  201 A1INZ A H24  
5853 H H26  . A1INZ D .   ? 0.104555  0.230505  0.128674  0.0101461   0.0717247   0.00355514  201 A1INZ A H26  
5854 H H25  . A1INZ D .   ? 0.104697  0.23192   0.129546  0.00987842  0.0716201   0.00344075  201 A1INZ A H25  
5855 H H27  . A1INZ D .   ? 0.129125  0.233268  0.13229   0.00553441  0.0573729   0.00782901  201 A1INZ A H27  
5856 H H28  . A1INZ D .   ? 0.125923  0.233056  0.128871  0.00654311  0.0604072   0.0076509   201 A1INZ A H28  
5857 H H29  . A1INZ D .   ? 0.120828  0.222332  0.129359  0.00707389  0.0593914   0.00890653  201 A1INZ A H29  
5858 H H30  . A1INZ D .   ? 0.118809  0.221654  0.129055  0.00611084  0.0580512   0.00839529  201 A1INZ A H30  
5859 H H31  . A1INZ D .   ? 0.119393  0.208728  0.126728  0.0115015   0.0570952   0.00522676  201 A1INZ A H31  
5860 H H32  . A1INZ D .   ? 0.119203  0.211226  0.127043  0.0108946   0.0573839   0.00532727  201 A1INZ A H32  
5861 H H33  . A1INZ D .   ? 0.13112   0.234356  0.131446  0.0131932   0.0341668   0.00161145  201 A1INZ A H33  
5862 H H34  . A1INZ D .   ? 0.118692  0.229767  0.142557  0.0218657   0.0248269   0.00559584  201 A1INZ A H34  
5863 H H36  . A1INZ D .   ? 0.10113   0.232455  0.148357  0.0338359   0.0311117   0.00542254  201 A1INZ A H36  
5864 H H35  . A1INZ D .   ? 0.102162  0.23077   0.147865  0.0347518   0.0312394   0.00365803  201 A1INZ A H35  
5865 H H37  . A1INZ D .   ? 0.0986325 0.249224  0.159057  0.0421081   0.0362584   0.00623551  201 A1INZ A H37  
5866 H H38  . A1INZ D .   ? 0.0998858 0.250611  0.158317  0.0435173   0.0357679   0.00598358  201 A1INZ A H38  
5867 H H39  . A1INZ D .   ? 0.115886  0.25704   0.17357   0.0499454   0.0263012   0.0105827   201 A1INZ A H39  
5868 H H40  . A1INZ D .   ? 0.119514  0.257413  0.173839  0.0479469   0.0276687   0.010218    201 A1INZ A H40  
5869 H H41  . A1INZ D .   ? 0.145201  0.264117  0.180973  0.0450121   0.0162742   0.00819224  201 A1INZ A H41  
5870 H H42  . A1INZ D .   ? 0.143334  0.26263   0.180673  0.0436428   0.017049    0.00868068  201 A1INZ A H42  
5871 H H44  . A1INZ D .   ? 0.136567  0.252222  0.162741  0.0331833   0.0150663   0.00631328  201 A1INZ A H44  
5872 H H43  . A1INZ D .   ? 0.13571   0.251929  0.162217  0.0327182   0.0152371   0.00662273  201 A1INZ A H43  
5873 C C1   . EDO   E .   ? 0.276753  0.506473  0.312035  -0.0469411  0.21917     -0.00672053 202 EDO   A C1   
5874 O O1   . EDO   E .   ? 0.301699  0.449016  0.296448  -0.0464307  0.213908    -0.00333872 202 EDO   A O1   
5875 C C2   . EDO   E .   ? 0.287081  0.51483   0.307001  -0.0814732  0.168323    0.00216924  202 EDO   A C2   
5876 O O2   . EDO   E .   ? 0.278479  0.531028  0.397287  -0.0681686  0.136622    0.00037943  202 EDO   A O2   
5877 H H11  . EDO   E .   ? 0.292574  0.482805  0.314318  -0.0457559  0.187475    -0.00180925 202 EDO   A H11  
5878 H H12  . EDO   E .   ? 0.294141  0.485459  0.314214  -0.0449139  0.186224    -0.0028773  202 EDO   A H12  
5879 H HO1  . EDO   E .   ? 0.333093  0.333093  0.333093  0           0           0           202 EDO   A HO1  
5880 H H21  . EDO   E .   ? 0.294015  0.504046  0.33172   -0.0618199  0.158788    0.0030337   202 EDO   A H21  
5881 H H22  . EDO   E .   ? 0.291585  0.496864  0.327232  -0.0601386  0.158126    0.00457035  202 EDO   A H22  
5882 H HO2  . EDO   E .   ? 0.366276  0.366276  0.366276  0           0           0           202 EDO   A HO2  
5883 C C4   . A1INZ F .   ? 0.128232  0.350731  0.1323    0.0312119   0.0306864   0.00694208  201 A1INZ B C4   
5884 C C14  . A1INZ F .   ? 0.122054  0.40483   0.151963  0.0172119   0.0174918   -0.00340715 201 A1INZ B C14  
5885 C C5   . A1INZ F .   ? 0.187168  0.316078  0.152803  0.0458494   0.0222032   -0.00071228 201 A1INZ B C5   
5886 C C6   . A1INZ F .   ? 0.194818  0.377     0.153466  0.0505559   0.0229289   0.0253274   201 A1INZ B C6   
5887 C C11  . A1INZ F .   ? 0.15363   0.343982  0.186193  0.00984504  0.0622082   0.0165938   201 A1INZ B C11  
5888 C C7   . A1INZ F .   ? 0.221525  0.438475  0.157859  0.0569619   0.0285608   0.0412028   201 A1INZ B C7   
5889 C C8   . A1INZ F .   ? 0.279649  0.472429  0.200605  0.0135996   -0.0119889  0.108661    201 A1INZ B C8   
5890 C C9   . A1INZ F .   ? 0.125474  0.369604  0.156643  0.0172011   0.0678262   0.0287816   201 A1INZ B C9   
5891 C C10  . A1INZ F .   ? 0.151653  0.343788  0.155627  0.0146229   0.0680791   0.0174306   201 A1INZ B C10  
5892 C C12  . A1INZ F .   ? 0.170691  0.339107  0.145027  0.0401244   0.0523346   -0.037758   201 A1INZ B C12  
5893 C C13  . A1INZ F .   ? 0.141438  0.365999  0.158973  0.0331981   0.0303873   -0.0113104  201 A1INZ B C13  
5894 N N1   . A1INZ F .   ? 0.145776  0.311919  0.198431  0.0201122   0.0415545   0.00057181  201 A1INZ B N1   
5895 N N2   . A1INZ F .   ? 0.181285  0.373502  0.205757  0.0339039   0.0460873   0.0105412   201 A1INZ B N2   
5896 C C3   . A1INZ F .   ? 0.225221  0.394364  0.155435  0.110247    -0.00137951 0.00677488  201 A1INZ B C3   
5897 N N3   . A1INZ F .   ? 0.20603   0.340338  0.224251  0.0212119   0.0204713   -0.00698045 201 A1INZ B N3   
5898 C C1   . A1INZ F .   ? 0.29113   0.741358  0.261852  0.157647    0.149486    0.0696957   201 A1INZ B C1   
5899 O O1   . A1INZ F .   ? 0.224208  0.661917  0.229171  0.127335    0.0312635   0.0529975   201 A1INZ B O1   
5900 C C2   . A1INZ F .   ? 0.246092  0.473811  0.165658  0.100824    0.0163253   0.0214353   201 A1INZ B C2   
5901 O O2   . A1INZ F .   ? 0.236924  0.47897   0.134578  0.0542755   0.0624621   0.0204385   201 A1INZ B O2   
5902 O O3   . A1INZ F .   ? 0.20276   0.360871  0.178169  0.0495724   0.0559958   0.0387488   201 A1INZ B O3   
5903 C C15  . A1INZ F .   ? 0.0840503 0.399018  0.167056  0.015768    0.0285918   -0.00751481 201 A1INZ B C15  
5904 C C16  . A1INZ F .   ? 0.0840633 0.433573  0.193157  0.0416921   0.0395848   -0.0107715  201 A1INZ B C16  
5905 C C17  . A1INZ F .   ? 0.160167  0.370702  0.148023  0.0100622   0.0155883   5.635e-05   201 A1INZ B C17  
5906 O O4   . A1INZ F .   ? 0.131657  0.359145  0.117245  0.0317657   0.0532202   -0.00172589 201 A1INZ B O4   
5907 C C18  . A1INZ F .   ? 0.0790518 0.299039  0.131427  0.0275132   0.0506833   0.00050288  201 A1INZ B C18  
5908 O O5   . A1INZ F .   ? 0.122659  0.308601  0.135509  0.0271915   0.046605    -0.00157181 201 A1INZ B O5   
5909 C C19  . A1INZ F .   ? 0.0722676 0.277361  0.118694  0.040334    0.0808301   -0.00293148 201 A1INZ B C19  
5910 C C20  . A1INZ F .   ? 0.097881  0.283735  0.100489  0.0303401   0.0866378   -0.0147486  201 A1INZ B C20  
5911 C C21  . A1INZ F .   ? 0.111635  0.2946    0.102673  0.0307048   0.0916573   -0.0143686  201 A1INZ B C21  
5912 C C22  . A1INZ F .   ? 0.0905853 0.29619   0.117814  0.0161187   0.092176    0.00663415  201 A1INZ B C22  
5913 C C23  . A1INZ F .   ? 0.0805321 0.281419  0.117152  0.0390567   0.0877643   0.00395512  201 A1INZ B C23  
5914 N N4   . A1INZ F .   ? 0.104263  0.28347   0.150572  0.0310094   0.0291351   0.0232833   201 A1INZ B N4   
5915 C C24  . A1INZ F .   ? 0.116884  0.291632  0.133555  0.031185    0.0375821   0.0253884   201 A1INZ B C24  
5916 O O6   . A1INZ F .   ? 0.0748605 0.296779  0.156577  0.0186499   0.0395109   0.048342    201 A1INZ B O6   
5917 C C25  . A1INZ F .   ? 0.149237  0.315434  0.148006  0.0287037   -0.00377668 0.0267999   201 A1INZ B C25  
5918 C C26  . A1INZ F .   ? 0.163615  0.303159  0.128493  -0.0140318  0.0156327   0.029193    201 A1INZ B C26  
5919 C C27  . A1INZ F .   ? 0.190613  0.320218  0.127353  -0.0291394  0.0121127   0.0277926   201 A1INZ B C27  
5920 C C28  . A1INZ F .   ? 0.185704  0.336668  0.132936  -0.0296828  0.0279875   0.0572846   201 A1INZ B C28  
5921 C C29  . A1INZ F .   ? 0.209257  0.315937  0.160013  -0.0575952  0.0320102   0.0412742   201 A1INZ B C29  
5922 C C30  . A1INZ F .   ? 0.242986  0.332732  0.166611  -0.0546133  0.00644277  0.0548814   201 A1INZ B C30  
5923 C C31  . A1INZ F .   ? 0.186844  0.311125  0.144154  -0.0164771  0.00457777  0.046377    201 A1INZ B C31  
5924 H H17  . A1INZ F .   ? 0.137446  0.377763  0.171817  0.0268416   0.027042    0.00339205  201 A1INZ B H17  
5925 H H16  . A1INZ F .   ? 0.138574  0.373982  0.173228  0.0245219   0.0286281   0.00274392  201 A1INZ B H16  
5926 H H5   . A1INZ F .   ? 0.182813  0.326361  0.160223  0.0402069   0.0267638   0.0103109   201 A1INZ B H5   
5927 H H13  . A1INZ F .   ? 0.164382  0.326298  0.192361  0.0141824   0.0539128   0.0153013   201 A1INZ B H13  
5928 H H14  . A1INZ F .   ? 0.164283  0.326781  0.191573  0.0144299   0.0547716   0.0139561   201 A1INZ B H14  
5929 H H7   . A1INZ F .   ? 0.278177  0.459667  0.202595  0.0293282   0.0183436   0.074581    201 A1INZ B H7   
5930 H H8   . A1INZ F .   ? 0.279892  0.458825  0.201473  0.0290326   0.0190344   0.0739308   201 A1INZ B H8   
5931 H H6   . A1INZ F .   ? 0.277977  0.460863  0.201836  0.0292257   0.0183834   0.0749242   201 A1INZ B H6   
5932 H H9   . A1INZ F .   ? 0.156959  0.342727  0.169871  0.0208164   0.0630761   0.0315398   201 A1INZ B H9   
5933 H H10  . A1INZ F .   ? 0.154912  0.34369   0.168237  0.0211385   0.0561731   0.0275161   201 A1INZ B H10  
5934 H H11  . A1INZ F .   ? 0.158659  0.335609  0.173822  0.01684     0.0626556   0.0226487   201 A1INZ B H11  
5935 H H12  . A1INZ F .   ? 0.158307  0.335913  0.1734    0.0153669   0.0634586   0.0223924   201 A1INZ B H12  
5936 H H15  . A1INZ F .   ? 0.168931  0.325398  0.17132   0.0338954   0.0436897   -0.0161271  201 A1INZ B H15  
5937 H H4   . A1INZ F .   ? 0.20902   0.380032  0.170688  0.0778773   0.0167046   0.015173    201 A1INZ B H4   
5938 H H2   . A1INZ F .   ? 0.306606  0.68741   0.289619  0.132262    0.116679    0.0607722   201 A1INZ B H2   
5939 H H3   . A1INZ F .   ? 0.298639  0.677495  0.281745  0.1365      0.109134    0.0629908   201 A1INZ B H3   
5940 H H1   . A1INZ F .   ? 0.298987  0.678926  0.284528  0.136847    0.110477    0.0643835   201 A1INZ B H1   
5941 H H18  . A1INZ F .   ? 0.127318  0.375744  0.179523  0.022861    0.03227     0.00374286  201 A1INZ B H18  
5942 H H20  . A1INZ F .   ? 0.112481  0.401834  0.199386  0.0370296   0.0418058   0.00057266  201 A1INZ B H20  
5943 H H21  . A1INZ F .   ? 0.112405  0.404989  0.199125  0.0381758   0.0413549   0.0005096   201 A1INZ B H21  
5944 H H19  . A1INZ F .   ? 0.113118  0.403523  0.196354  0.0378927   0.0417482   -0.00135931 201 A1INZ B H19  
5945 H H23  . A1INZ F .   ? 0.154178  0.355573  0.1611    0.0190782   0.0310535   0.00512067  201 A1INZ B H23  
5946 H H22  . A1INZ F .   ? 0.165457  0.360131  0.163978  0.019401    0.0252902   0.0043319   201 A1INZ B H22  
5947 H H24  . A1INZ F .   ? 0.0944631 0.272414  0.131252  0.0355456   0.062599    0.00522137  201 A1INZ B H24  
5948 H H26  . A1INZ F .   ? 0.10723   0.269159  0.115869  0.0327262   0.0808571   -0.00589457 201 A1INZ B H26  
5949 H H25  . A1INZ F .   ? 0.107257  0.268763  0.111765  0.032017    0.0793907   -0.00967513 201 A1INZ B H25  
5950 H H27  . A1INZ F .   ? 0.111577  0.279701  0.114632  0.0269633   0.0873933   -0.00359187 201 A1INZ B H27  
5951 H H28  . A1INZ F .   ? 0.11519   0.278132  0.113016  0.0276035   0.0839688   -0.00721467 201 A1INZ B H28  
5952 H H29  . A1INZ F .   ? 0.105989  0.280743  0.124241  0.0264919   0.0859624   0.00439854  201 A1INZ B H29  
5953 H H30  . A1INZ F .   ? 0.105464  0.28156   0.125144  0.0268323   0.0857711   0.00529154  201 A1INZ B H30  
5954 H H31  . A1INZ F .   ? 0.100008  0.266938  0.131589  0.0313921   0.0726232   0.0111072   201 A1INZ B H31  
5955 H H32  . A1INZ F .   ? 0.0994568 0.271441  0.126833  0.0319547   0.0718688   0.00982648  201 A1INZ B H32  
5956 H H33  . A1INZ F .   ? 0.156185  0.306677  0.151216  0.0204505   0.0157497   0.0252865   201 A1INZ B H33  
5957 H H34  . A1INZ F .   ? 0.174068  0.298096  0.14513   -0.00356752 0.0129074   0.0300577   201 A1INZ B H34  
5958 H H36  . A1INZ F .   ? 0.191063  0.31065   0.142852  -0.020175   0.017873    0.0335647   201 A1INZ B H36  
5959 H H35  . A1INZ F .   ? 0.18902   0.310337  0.143017  -0.0185573  0.0191614   0.0320346   201 A1INZ B H35  
5960 H H37  . A1INZ F .   ? 0.197126  0.31678   0.149732  -0.0267404  0.0263324   0.0431151   201 A1INZ B H37  
5961 H H38  . A1INZ F .   ? 0.198207  0.317151  0.145356  -0.0276209  0.0257348   0.0429281   201 A1INZ B H38  
5962 H H39  . A1INZ F .   ? 0.210041  0.312718  0.166443  -0.0431407  0.0239116   0.0430695   201 A1INZ B H39  
5963 H H40  . A1INZ F .   ? 0.213075  0.313368  0.166352  -0.0406531  0.0254385   0.0433466   201 A1INZ B H40  
5964 H H41  . A1INZ F .   ? 0.233264  0.319564  0.17347   -0.0421744  0.0105291   0.0466897   201 A1INZ B H41  
5965 H H42  . A1INZ F .   ? 0.227272  0.318054  0.172982  -0.0383061  0.012703    0.0446518   201 A1INZ B H42  
5966 H H44  . A1INZ F .   ? 0.193736  0.301994  0.154861  -0.0160025  0.010508    0.0401168   201 A1INZ B H44  
5967 H H43  . A1INZ F .   ? 0.195646  0.303286  0.153523  -0.0174479  0.0103764   0.0399436   201 A1INZ B H43  
5968 C C1   . EDO   G .   ? 0.346138  0.525162  0.303667  0.100771    0.0896928   -0.0288246  202 EDO   B C1   
5969 O O1   . EDO   G .   ? 0.387965  0.583695  0.343792  0.159249    0.122843    -0.0279696  202 EDO   B O1   
5970 C C2   . EDO   G .   ? 0.329179  0.560307  0.256929  0.00098279  0.115847    -0.0244411  202 EDO   B C2   
5971 O O2   . EDO   G .   ? 0.409921  0.51009   0.261497  -0.0138786  0.0124962   -0.040771   202 EDO   B O2   
5972 H H11  . EDO   G .   ? 0.349928  0.529338  0.307178  0.0795337   0.0969897   -0.0231991  202 EDO   B H11  
5973 H H12  . EDO   G .   ? 0.351011  0.533367  0.310819  0.0815671   0.0961257   -0.0242318  202 EDO   B H12  
5974 H HO1  . EDO   G .   ? 0.400219  0.400219  0.400219  0           0           0           202 EDO   B HO1  
5975 H H21  . EDO   G .   ? 0.356425  0.529045  0.281652  0.0185213   0.0806756   -0.0225639  202 EDO   B H21  
5976 H H22  . EDO   G .   ? 0.35332   0.520535  0.281071  0.0165083   0.0826643   -0.0221716  202 EDO   B H22  
5977 H HO2  . EDO   G .   ? 0.35931   0.35931   0.35931   0           0           0           202 EDO   B HO2  
5978 C C4   . A1INZ H .   ? 0.105424  0.258881  0.140851  -0.0289113  0.0199708   0.0138756   201 A1INZ C C4   
5979 C C14  . A1INZ H .   ? 0.119324  0.259202  0.144859  -0.0294755  0.0491078   0.00215539  201 A1INZ C C14  
5980 C C5   . A1INZ H .   ? 0.122938  0.275103  0.112869  -0.0340431  0.0221881   0.0140578   201 A1INZ C C5   
5981 C C6   . A1INZ H .   ? 0.125839  0.281159  0.103281  -0.0299363  0.0277801   0.0167336   201 A1INZ C C6   
5982 C C11  . A1INZ H .   ? 0.110329  0.270943  0.157562  -0.0263766  0.0731066   -0.00036936 201 A1INZ C C11  
5983 C C7   . A1INZ H .   ? 0.153617  0.292732  0.125251  -0.0408782  0.0259368   0.0143685   201 A1INZ C C7   
5984 C C8   . A1INZ H .   ? 0.192569  0.285139  0.133031  -0.0219387  0.02815     -0.00115312 201 A1INZ C C8   
5985 C C9   . A1INZ H .   ? 0.0864538 0.259565  0.140874  -0.025657   0.0515015   0.0113107   201 A1INZ C C9   
5986 C C10  . A1INZ H .   ? 0.109484  0.270332  0.156353  -0.0412994  0.0719193   0.0031128   201 A1INZ C C10  
5987 C C12  . A1INZ H .   ? 0.153182  0.262974  0.161225  -0.0303309  0.0459461   0.0294525   201 A1INZ C C12  
5988 C C13  . A1INZ H .   ? 0.124879  0.252205  0.137303  -0.0242812  0.0598358   0.0147771   201 A1INZ C C13  
5989 N N1   . A1INZ H .   ? 0.128609  0.260097  0.151479  -0.0225107  0.0626668   0.00586091  201 A1INZ C N1   
5990 N N2   . A1INZ H .   ? 0.14699   0.273935  0.148854  -0.0173389  0.0693818   0.0252436   201 A1INZ C N2   
5991 C C3   . A1INZ H .   ? 0.134805  0.30176   0.149977  -0.0558638  0.00493803  0.00994429  201 A1INZ C C3   
5992 N N3   . A1INZ H .   ? 0.160787  0.263579  0.166977  0.00268076  0.0763895   0.0202319   201 A1INZ C N3   
5993 C C1   . A1INZ H .   ? 0.215428  0.475856  0.156731  -0.15146    0.0543919   0.0248314   201 A1INZ C C1   
5994 O O1   . A1INZ H .   ? 0.139556  0.414856  0.171992  -0.107155   0.021551    0.0277062   201 A1INZ C O1   
5995 C C2   . A1INZ H .   ? 0.157642  0.329674  0.152134  -0.0699676  0.0159305   0.0137667   201 A1INZ C C2   
5996 O O2   . A1INZ H .   ? 0.194726  0.293239  0.136579  -0.0348533  0.0102624   0.0112188   201 A1INZ C O2   
5997 O O3   . A1INZ H .   ? 0.116082  0.282659  0.135852  -0.0339479  0.0459722   0.0122234   201 A1INZ C O3   
5998 C C15  . A1INZ H .   ? 0.143254  0.236432  0.154915  -0.0148778  0.0287814   0.0131436   201 A1INZ C C15  
5999 C C16  . A1INZ H .   ? 0.15515   0.248998  0.15775   -0.0177576  0.0363605   0.0203816   201 A1INZ C C16  
6000 C C17  . A1INZ H .   ? 0.185265  0.227354  0.13656   -0.0189041  0.026073    0.00543658  201 A1INZ C C17  
6001 O O4   . A1INZ H .   ? 0.172439  0.211468  0.123619  -0.00982397 0.0330899   0.00376164  201 A1INZ C O4   
6002 C C18  . A1INZ H .   ? 0.137229  0.183602  0.13602   -0.0236757  0.0368661   0.00683387  201 A1INZ C C18  
6003 O O5   . A1INZ H .   ? 0.175257  0.170104  0.146358  -0.0242106  0.0162529   0.0133138   201 A1INZ C O5   
6004 C C19  . A1INZ H .   ? 0.133424  0.205018  0.117541  -0.0262668  0.0502423   0.0107406   201 A1INZ C C19  
6005 C C20  . A1INZ H .   ? 0.102433  0.200475  0.133471  -0.0219526  0.0483191   0.00892625  201 A1INZ C C20  
6006 C C21  . A1INZ H .   ? 0.111924  0.215115  0.139916  -0.0322773  0.0570718   0.0145275   201 A1INZ C C21  
6007 C C22  . A1INZ H .   ? 0.104015  0.216294  0.14498   -0.0206918  0.0428127   0.0095941   201 A1INZ C C22  
6008 C C23  . A1INZ H .   ? 0.111019  0.197247  0.138673  -0.026418   0.0423927   0.00384001  201 A1INZ C C23  
6009 N N4   . A1INZ H .   ? 0.116496  0.192086  0.132534  -0.0287315  0.044952    0.011065    201 A1INZ C N4   
6010 C C24  . A1INZ H .   ? 0.111171  0.204335  0.156233  -0.0248301  0.030966    0.0109289   201 A1INZ C C24  
6011 O O6   . A1INZ H .   ? 0.117562  0.214293  0.143408  -0.0397132  0.0471615   0.00625459  201 A1INZ C O6   
6012 C C25  . A1INZ H .   ? 0.104371  0.226366  0.129572  -0.0195455  0.0331392   0.0112766   201 A1INZ C C25  
6013 C C26  . A1INZ H .   ? 0.110628  0.23946   0.122364  -0.00389646 0.0333903   0.0155791   201 A1INZ C C26  
6014 C C27  . A1INZ H .   ? 0.135225  0.248352  0.131651  0.00985737  0.0278786   0.0209132   201 A1INZ C C27  
6015 C C28  . A1INZ H .   ? 0.156958  0.244581  0.128747  0.0217284   0.0332567   0.0208555   201 A1INZ C C28  
6016 C C29  . A1INZ H .   ? 0.172078  0.240248  0.131334  0.0191022   0.037731    0.0281001   201 A1INZ C C29  
6017 C C30  . A1INZ H .   ? 0.169087  0.251605  0.135117  0.00875891  0.0357955   0.0211768   201 A1INZ C C30  
6018 C C31  . A1INZ H .   ? 0.134999  0.259783  0.135143  -0.00079151 0.0370146   0.020648    201 A1INZ C C31  
6019 H H17  . A1INZ H .   ? 0.130844  0.243865  0.148827  -0.0217754  0.0419875   0.00675694  201 A1INZ C H17  
6020 H H16  . A1INZ H .   ? 0.132518  0.245297  0.15018   -0.0207402  0.0437539   0.00790098  201 A1INZ C H16  
6021 H H5   . A1INZ H .   ? 0.125332  0.260764  0.128254  -0.0268622  0.0232569   0.0151327   201 A1INZ C H5   
6022 H H13  . A1INZ H .   ? 0.124101  0.25967   0.160818  -0.0232076  0.0645069   0.00356569  201 A1INZ C H13  
6023 H H14  . A1INZ H .   ? 0.124116  0.25802   0.160365  -0.0237101  0.0642991   0.00292024  201 A1INZ C H14  
6024 H H7   . A1INZ H .   ? 0.195068  0.279399  0.144239  -0.0211745  0.0224903   0.00450979  201 A1INZ C H7   
6025 H H8   . A1INZ H .   ? 0.19387   0.279361  0.144994  -0.0214617  0.0230418   0.00460343  201 A1INZ C H8   
6026 H H6   . A1INZ H .   ? 0.195012  0.278776  0.145018  -0.0212864  0.0229604   0.00469857  201 A1INZ C H6   
6027 H H9   . A1INZ H .   ? 0.106359  0.254654  0.14611   -0.021519   0.0518164   0.0103943   201 A1INZ C H9   
6028 H H10  . A1INZ H .   ? 0.104959  0.255996  0.144     -0.0222254  0.0478034   0.0125867   201 A1INZ C H10  
6029 H H11  . A1INZ H .   ? 0.114884  0.256816  0.158207  -0.0294914  0.0613852   0.00571514  201 A1INZ C H11  
6030 H H12  . A1INZ H .   ? 0.116543  0.260741  0.158594  -0.0292918  0.0611253   0.00696641  201 A1INZ C H12  
6031 H H15  . A1INZ H .   ? 0.14747   0.253     0.159058  -0.022432   0.0493423   0.018751    201 A1INZ C H15  
6032 H H4   . A1INZ H .   ? 0.144176  0.287394  0.157953  -0.0412998  0.0139726   0.0129188   201 A1INZ C H4   
6033 H H2   . A1INZ H .   ? 0.205178  0.435673  0.186995  -0.112662   0.0438066   0.0280478   201 A1INZ C H2   
6034 H H3   . A1INZ H .   ? 0.206975  0.438146  0.190827  -0.111288   0.0467704   0.0257291   201 A1INZ C H3   
6035 H H1   . A1INZ H .   ? 0.206784  0.436694  0.187662  -0.11077    0.0454193   0.0294947   201 A1INZ C H1   
6036 H H18  . A1INZ H .   ? 0.152061  0.232007  0.153886  -0.0148912  0.031637    0.00983209  201 A1INZ C H18  
6037 H H20  . A1INZ H .   ? 0.156784  0.240267  0.161508  -0.0144679  0.0316097   0.0168028   201 A1INZ C H20  
6038 H H21  . A1INZ H .   ? 0.157577  0.239893  0.162287  -0.0139977  0.0317326   0.0167069   201 A1INZ C H21  
6039 H H19  . A1INZ H .   ? 0.156738  0.239336  0.161133  -0.0141219  0.0316365   0.0167665   201 A1INZ C H19  
6040 H H23  . A1INZ H .   ? 0.175206  0.222415  0.144362  -0.0133581  0.026237    0.00690529  201 A1INZ C H23  
6041 H H22  . A1INZ H .   ? 0.178351  0.22194   0.145243  -0.0132233  0.0240366   0.00670585  201 A1INZ C H22  
6042 H H24  . A1INZ H .   ? 0.130734  0.19363   0.131561  -0.0212559  0.0431604   0.00963717  201 A1INZ C H24  
6043 H H26  . A1INZ H .   ? 0.116276  0.194768  0.134357  -0.0209337  0.0457419   0.0100479   201 A1INZ C H26  
6044 H H25  . A1INZ H .   ? 0.115949  0.197548  0.134089  -0.0210432  0.0457203   0.0104378   201 A1INZ C H25  
6045 H H27  . A1INZ H .   ? 0.113283  0.206051  0.141071  -0.0224476  0.0484624   0.0112839   201 A1INZ C H27  
6046 H H28  . A1INZ H .   ? 0.114441  0.206451  0.143393  -0.0228679  0.047477    0.0112319   201 A1INZ C H28  
6047 H H29  . A1INZ H .   ? 0.113787  0.205734  0.145095  -0.0205992  0.0415908   0.00931166  201 A1INZ C H29  
6048 H H30  . A1INZ H .   ? 0.112336  0.205345  0.144852  -0.0212179  0.0409345   0.00911182  201 A1INZ C H30  
6049 H H31  . A1INZ H .   ? 0.116015  0.192789  0.140539  -0.0213451  0.0391122   0.00694716  201 A1INZ C H31  
6050 H H32  . A1INZ H .   ? 0.116315  0.194505  0.140629  -0.0215964  0.0392184   0.00686574  201 A1INZ C H32  
6051 H H33  . A1INZ H .   ? 0.112229  0.221171  0.13838   -0.017382   0.030743    0.013871    201 A1INZ C H33  
6052 H H34  . A1INZ H .   ? 0.121908  0.231574  0.133269  -0.00384667 0.0326935   0.0168181   201 A1INZ C H34  
6053 H H36  . A1INZ H .   ? 0.139765  0.238262  0.136041  0.00950621  0.0288972   0.0182845   201 A1INZ C H36  
6054 H H35  . A1INZ H .   ? 0.139427  0.237379  0.136393  0.00883211  0.0290656   0.0181913   201 A1INZ C H35  
6055 H H37  . A1INZ H .   ? 0.158952  0.238256  0.136885  0.0176355   0.0308113   0.0207616   201 A1INZ C H37  
6056 H H38  . A1INZ H .   ? 0.158418  0.237834  0.135255  0.0172247   0.0309364   0.0212127   201 A1INZ C H38  
6057 H H39  . A1INZ H .   ? 0.170578  0.237756  0.139093  0.0159017   0.0338337   0.0228311   201 A1INZ C H39  
6058 H H40  . A1INZ H .   ? 0.16968   0.237239  0.139002  0.0157146   0.0338917   0.0230427   201 A1INZ C H40  
6059 H H41  . A1INZ H .   ? 0.16631   0.244954  0.142477  0.00973213  0.0334791   0.020522    201 A1INZ C H41  
6060 H H42  . A1INZ H .   ? 0.165258  0.242952  0.142053  0.00907331  0.0340333   0.0202688   201 A1INZ C H42  
6061 H H44  . A1INZ H .   ? 0.140928  0.244846  0.139441  0.00125845  0.0343413   0.0189818   201 A1INZ C H44  
6062 H H43  . A1INZ H .   ? 0.141409  0.245429  0.139819  0.00165301  0.0340531   0.0187401   201 A1INZ C H43  
6063 C C1   . EDO   I .   ? 0.279108  0.473605  0.189701  -0.0232543  0.141756    0.0544215   202 EDO   C C1   
6064 O O1   . EDO   I .   ? 0.288535  0.42043   0.247279  -0.0357698  0.0886346   0.026803    202 EDO   C O1   
6065 C C2   . EDO   I .   ? 0.345226  0.559902  0.16657   -0.0156311  0.14644     0.0484926   202 EDO   C C2   
6066 O O2   . EDO   I .   ? 0.364202  0.656272  0.157656  -0.0621118  0.110393    0.0985738   202 EDO   C O2   
6067 H H11  . EDO   I .   ? 0.299442  0.455111  0.218277  -0.0158473  0.119419    0.0452611   202 EDO   C H11  
6068 H H12  . EDO   I .   ? 0.298104  0.449682  0.216585  -0.0196437  0.119099    0.0474331   202 EDO   C H12  
6069 H HO1  . EDO   I .   ? 0.318782  0.318782  0.318782  0           0           0           202 EDO   C HO1  
6070 H H21  . EDO   I .   ? 0.342224  0.527362  0.199359  -0.0162434  0.128732    0.0538808   202 EDO   C H21  
6071 H H22  . EDO   I .   ? 0.342393  0.536782  0.203734  -0.0176888  0.128711    0.057359    202 EDO   C H22  
6072 H HO2  . EDO   I .   ? 0.389707  0.389707  0.389707  0           0           0           202 EDO   C HO2  
6073 O O    . HOH   J .   ? 0.419366  0.38211   0.460894  0.079051    -0.1044     -0.0397584  301 HOH   A O    
6074 O O    . HOH   J .   ? 0.275823  0.525935  0.554167  0.00402588  -0.0965063  -0.137982   302 HOH   A O    
6075 O O    . HOH   J .   ? 0.138304  0.357606  0.317371  -0.0224403  -0.0589859  0.0270158   303 HOH   A O    
6076 O O    . HOH   J .   ? 0.345249  0.368582  0.398817  0.0486841   -0.0987517  -0.0441565  304 HOH   A O    
6077 O O    . HOH   J .   ? 0.410021  0.631478  0.572689  -0.15625    0.190069    0.194288    305 HOH   A O    
6078 O O    . HOH   J .   ? 0.324853  0.243807  0.164388  -0.0532152  0.0691955   -0.0180673  306 HOH   A O    
6079 O O    . HOH   J .   ? 0.408141  0.410978  0.33024   -0.042381   -0.0704535  0.00859642  307 HOH   A O    
6080 O O    . HOH   J .   ? 0.2597    0.280636  0.298638  -0.0196508  -0.068248   -0.0597098  308 HOH   A O    
6081 O O    . HOH   J .   ? 0.237812  0.231235  0.200472  -0.0297027  0.11437     0.0148335   309 HOH   A O    
6082 O O    . HOH   J .   ? 0.137224  0.39259   0.409505  -0.0299964  0.00057979  -0.0290315  310 HOH   A O    
6083 O O    . HOH   J .   ? 0.159322  0.214286  0.310028  -0.0353077  0.0437595   -0.0270912  311 HOH   A O    
6084 O O    . HOH   J .   ? 0.295428  0.348843  0.271165  -0.034518   0.0262483   0.0318969   312 HOH   A O    
6085 O O    . HOH   J .   ? 0.342412  0.328509  0.623741  0.0181807   -0.0425325  -0.0467211  313 HOH   A O    
6086 O O    . HOH   J .   ? 0.28936   0.240539  0.239388  0.0102565   0.0938791   -0.0218145  314 HOH   A O    
6087 O O    . HOH   J .   ? 0.318726  0.145658  0.288304  0.00705187  -0.0356244  0.0241735   315 HOH   A O    
6088 O O    . HOH   J .   ? 0.404638  0.447875  0.387765  0.0894446   0.04507     -0.0416541  316 HOH   A O    
6089 O O    . HOH   J .   ? 0.650934  0.260931  0.275115  -0.0608092  -0.0941271  0.0241101   317 HOH   A O    
6090 O O    . HOH   J .   ? 0.280965  0.402982  0.573678  -0.0238842  -0.209249   0.00745799  318 HOH   A O    
6091 O O    . HOH   J .   ? 0.263047  0.437741  0.443359  -0.0737348  0.146151    0.160095    319 HOH   A O    
6092 O O    . HOH   J .   ? 0.263756  0.441303  0.410626  0.0310468   -0.102878   0.0316781   320 HOH   A O    
6093 O O    . HOH   J .   ? 0.305434  0.278053  0.365496  -0.0510648  -0.126499   0.0203807   321 HOH   A O    
6094 O O    . HOH   J .   ? 0.354629  0.36862   0.231429  0.0503025   -0.0940758  0.0585905   322 HOH   A O    
6095 O O    . HOH   J .   ? 0.216382  0.598369  0.452258  0.00712318  0.0801555   -0.0454822  323 HOH   A O    
6096 O O    . HOH   J .   ? 0.536107  0.58603   0.276746  -0.056933   0.0130938   -0.0961656  324 HOH   A O    
6097 O O    . HOH   J .   ? 0.538212  0.473686  0.273191  -0.0551948  -0.0730391  -0.176207   325 HOH   A O    
6098 O O    . HOH   J .   ? 0.541955  0.49615   0.221217  0.0825506   -0.0607488  -0.0184509  326 HOH   A O    
6099 O O    . HOH   J .   ? 0.434041  0.308686  0.329823  0.0626809   -0.0328265  0.00691332  327 HOH   A O    
6100 O O    . HOH   J .   ? 0.374079  0.60833   0.609488  0.293851    0.194836    0.101629    328 HOH   A O    
6101 O O    . HOH   J .   ? 0.14477   0.258679  0.289532  -0.0186483  -0.00028009 -0.0539817  329 HOH   A O    
6102 O O    . HOH   J .   ? 0.240311  0.259157  0.316661  0.0611634   -0.0299472  -0.00749233 330 HOH   A O    
6103 O O    . HOH   J .   ? 0.678735  0.709313  0.379536  -0.0118281  -0.00941268 0.0235665   331 HOH   A O    
6104 O O    . HOH   J .   ? 0.0898381 0.441803  0.184368  0.00479582  0.12152     0.0297957   332 HOH   A O    
6105 O O    . HOH   J .   ? 0.261466  0.851294  0.462841  -0.161795   0.14522     0.0691533   333 HOH   A O    
6106 O O    . HOH   J .   ? 0.652105  0.396404  0.378294  -0.0935254  -0.153431   -0.100182   334 HOH   A O    
6107 O O    . HOH   J .   ? 0.224841  0.457966  0.182338  0.0839042   -0.00439575 -0.0390215  335 HOH   A O    
6108 O O    . HOH   J .   ? 0.189587  0.317967  0.230602  -0.0105659  -0.0220932  -0.0351559  336 HOH   A O    
6109 O O    . HOH   J .   ? 0.39213   0.25954   0.398865  -0.12355    -0.0656722  0.0490669   337 HOH   A O    
6110 O O    . HOH   J .   ? 0.477023  0.281881  0.287089  -0.0543494  0.0565777   -0.0516278  338 HOH   A O    
6111 O O    . HOH   J .   ? 0.331216  0.389342  0.219269  -0.0483055  0.0222101   -0.12014    339 HOH   A O    
6112 O O    . HOH   J .   ? 0.225209  0.392897  0.20032   -0.0038312  0.0878872   0.0438164   340 HOH   A O    
6113 O O    . HOH   J .   ? 0.449369  0.34661   0.466647  -0.0832049  -0.0706205  -0.0267024  341 HOH   A O    
6114 O O    . HOH   J .   ? 0.547145  0.744303  0.319817  -0.0241554  0.146498    0.23732     342 HOH   A O    
6115 O O    . HOH   J .   ? 0.331849  0.47053   0.40371   0.0425477   0.0283583   0.113999    343 HOH   A O    
6116 O O    . HOH   J .   ? 0.36228   0.312789  0.34032   -0.0823598  0.0550457   -0.0443781  344 HOH   A O    
6117 O O    . HOH   J .   ? 0.799574  0.448373  0.442534  0.284922    0.00443925  -0.121686   345 HOH   A O    
6118 O O    . HOH   J .   ? 0.781916  0.421535  0.205229  -0.137604   0.086212    -0.0262205  346 HOH   A O    
6119 O O    . HOH   J .   ? 0.397183  0.25529   0.449822  0.0001278   -0.176176   -0.00942008 347 HOH   A O    
6120 O O    . HOH   J .   ? 0.495924  2.73029   0.213136  0.290256    0.151541    -0.548938   348 HOH   A O    
6121 O O    . HOH   J .   ? 0.508992  0.656287  0.509815  0.172805    -0.00441049 -0.400696   349 HOH   A O    
6122 O O    . HOH   J .   ? 0.548547  0.247814  0.321171  -0.0287865  -0.0693627  0.0593242   350 HOH   A O    
6123 O O    . HOH   J .   ? 0.404181  0.380036  0.582221  -0.0477364  -0.0371513  -0.0313154  351 HOH   A O    
6124 O O    . HOH   J .   ? 0.538787  0.59879   0.268629  0.0568228   0.0894811   0.056384    352 HOH   A O    
6125 O O    . HOH   J .   ? 0.158823  0.62851   0.576635  -0.0152554  0.149258    -0.30031    353 HOH   A O    
6126 O O    . HOH   J .   ? 0.44194   0.528735  0.573903  0.00457314  -0.0523616  0.201201    354 HOH   A O    
6127 O O    . HOH   J .   ? 0.605297  0.482643  0.188846  -0.0378822  0.10489     0.199297    355 HOH   A O    
6128 O O    . HOH   J .   ? 0.614619  0.451515  0.4514    -0.262114   -0.181425   0.150565    356 HOH   A O    
6129 O O    . HOH   J .   ? 0.266306  0.539546  0.312778  -0.0968759  0.0253409   0.0162621   357 HOH   A O    
6130 O O    . HOH   J .   ? 0.145782  0.722517  0.283441  0.0752033   0.0911317   -0.0809448  358 HOH   A O    
6131 O O    . HOH   J .   ? 0.508884  0.501996  0.284359  -0.156849   0.0798708   -0.0533024  359 HOH   A O    
6132 O O    . HOH   J .   ? 0.879322  0.366708  0.241338  -0.0442216  0.0455643   0.0582265   360 HOH   A O    
6133 O O    . HOH   J .   ? 0.180489  0.40943   0.319112  -0.0874929  0.0182938   0.0263086   361 HOH   A O    
6134 O O    . HOH   J .   ? 0.471694  0.397265  0.642555  -0.00764925 -0.02179    -0.0397837  362 HOH   A O    
6135 O O    . HOH   J .   ? 0.400288  0.389266  0.655667  0.15301     -0.102024   -0.165171   363 HOH   A O    
6136 O O    . HOH   J .   ? 0.0656411 0.470651  0.287588  0.0740387   0.106459    -0.0502106  364 HOH   A O    
6137 O O    . HOH   J .   ? 0.326193  0.268399  0.580245  -0.00631337 -0.0804547  0.0139153   365 HOH   A O    
6138 O O    . HOH   J .   ? 0.387416  0.451615  0.753944  -0.0981831  0.136579    -0.0304745  366 HOH   A O    
6139 O O    . HOH   J .   ? 0.294479  0.646803  0.509038  -0.130386   0.120541    0.0323198   367 HOH   A O    
6140 O O    . HOH   J .   ? 0.523685  0.340101  0.682355  -0.0830389  -0.0508289  0.0780883   368 HOH   A O    
6141 O O    . HOH   J .   ? 0.439914  0.331098  0.348414  0.060386    -0.0673263  -0.0076602  369 HOH   A O    
6142 O O    . HOH   J .   ? 0.298436  0.422485  0.78545   -0.0607485  -0.203694   -0.00998356 370 HOH   A O    
6143 O O    . HOH   J .   ? 0.520693  0.476286  0.503606  0.08203     0.0600322   0.070576    371 HOH   A O    
6144 O O    . HOH   J .   ? 0.424785  0.48503   0.285908  0.180282    -0.0287797  -0.151499   372 HOH   A O    
6145 O O    . HOH   J .   ? 0.266753  0.284075  0.486033  -0.0163719  0.0520175   -0.0762098  373 HOH   A O    
6146 O O    . HOH   J .   ? 0.644302  0.264712  0.256156  -0.0650265  0.0217904   -0.0156227  374 HOH   A O    
6147 O O    . HOH   J .   ? 0.337387  0.443239  0.505471  -0.0826418  0.0599053   -0.0402004  375 HOH   A O    
6148 O O    . HOH   J .   ? 0.450669  0.499395  0.414438  -0.0367714  -0.206273   -0.0841934  376 HOH   A O    
6149 O O    . HOH   J .   ? 0.227926  0.3349    0.499644  -0.0122267  0.109616    -0.111794   377 HOH   A O    
6150 O O    . HOH   J .   ? 0.3183    0.519125  0.336093  -0.131948   0.0963678   0.092766    378 HOH   A O    
6151 O O    . HOH   J .   ? 0.57712   0.320912  0.151947  0.0156275   0.0871859   -0.00145532 379 HOH   A O    
6152 O O    . HOH   J .   ? 0.435933  0.380825  0.478523  0.0675114   -0.0365855  -0.00799078 380 HOH   A O    
6153 O O    . HOH   J .   ? 0.577665  0.647141  0.525013  0.100677    -0.0705194  0.0147301   381 HOH   A O    
6154 O O    . HOH   J .   ? 0.283224  0.335279  0.541176  -0.0791629  -0.0220539  0.115176    382 HOH   A O    
6155 O O    . HOH   J .   ? 0.500746  0.272357  0.472512  -0.0909727  0.0724937   -0.0719995  383 HOH   A O    
6156 O O    . HOH   J .   ? 0.492998  0.632168  0.314302  -0.038268   0.0702158   -0.135533   384 HOH   A O    
6157 O O    . HOH   J .   ? 0.527122  0.390666  0.342298  0.0481674   0.036068    -0.0700445  385 HOH   A O    
6158 O O    . HOH   J .   ? 0.60762   0.350891  0.363593  -0.00400371 0.00191985  0.00805677  386 HOH   A O    
6159 O O    . HOH   J .   ? 0.628371  0.655641  0.485477  0.0846945   0.113118    0.300439    387 HOH   A O    
6160 O O    . HOH   J .   ? 0.373973  0.384861  0.246004  0.0253746   0.0257978   -0.0321986  388 HOH   A O    
6161 O O    . HOH   J .   ? 0.17869   0.374061  0.67364   -0.0232079  0.0717556   0.120843    389 HOH   A O    
6162 O O    . HOH   K .   ? 0.164908  0.723107  0.725206  -0.0775611  0.0360592   0.375855    301 HOH   B O    
6163 O O    . HOH   K .   ? 0.298821  0.323314  0.280098  0.0203486   0.0481566   0.0388275   302 HOH   B O    
6164 O O    . HOH   K .   ? 0.43872   0.436647  0.595389  0.0421083   -0.10793    0.0405545   303 HOH   B O    
6165 O O    . HOH   K .   ? 0.262795  0.29964   0.132595  0.054483    0.101037    0.0432053   304 HOH   B O    
6166 O O    . HOH   K .   ? 0.265045  0.266401  0.296508  -0.038599   -0.0900566  0.0701701   305 HOH   B O    
6167 O O    . HOH   K .   ? 0.287059  0.568857  0.236499  0.0497078   0.139455    -0.0218011  306 HOH   B O    
6168 O O    . HOH   K .   ? 0.294637  0.584488  0.452468  0.00589491  -0.166482   0.143885    307 HOH   B O    
6169 O O    . HOH   K .   ? 0.455378  0.529145  0.460319  0.20539     -0.00584565 -0.167715   308 HOH   B O    
6170 O O    . HOH   K .   ? 0.571471  0.587875  0.485564  0.239695    -0.030356   -0.0131332  309 HOH   B O    
6171 O O    . HOH   K .   ? 0.115822  0.463753  0.172619  0.00247833  0.0865726   0.0405106   310 HOH   B O    
6172 O O    . HOH   K .   ? 0.303729  0.389007  0.219014  -0.0386734  0.0251306   0.0697777   311 HOH   B O    
6173 O O    . HOH   K .   ? 0.534536  0.797673  0.61738   -0.0436539  0.0267234   -0.424332   312 HOH   B O    
6174 O O    . HOH   K .   ? 0.175619  0.531942  0.477008  -0.0398678  0.0535343   0.00575062  313 HOH   B O    
6175 O O    . HOH   K .   ? 0.169977  0.342561  0.287212  -0.00310109 0.14719     -0.0453759  314 HOH   B O    
6176 O O    . HOH   K .   ? 0.163016  0.407158  0.638686  0.00067297  -0.101892   -0.0314778  315 HOH   B O    
6177 O O    . HOH   K .   ? 0.226593  0.29323   0.220814  0.0215371   0.0324747   -0.0556195  316 HOH   B O    
6178 O O    . HOH   K .   ? 0.31153   0.571349  0.487672  0.00980699  -0.0589694  -0.0878181  317 HOH   B O    
6179 O O    . HOH   K .   ? 0.441315  0.364817  0.602463  0.114647    0.00766939  -0.137572   318 HOH   B O    
6180 O O    . HOH   K .   ? 0.136296  0.247455  0.218069  -0.00618566 0.165885    -0.00847791 319 HOH   B O    
6181 O O    . HOH   K .   ? 0.619956  0.342748  0.340883  -0.0244886  0.00897592  -0.0882972  320 HOH   B O    
6182 O O    . HOH   K .   ? 0.380773  0.676251  0.289455  0.00057091  -0.0714734  -0.0567128  321 HOH   B O    
6183 O O    . HOH   K .   ? 0.230261  1.16941   0.362608  -0.00456968 0.00231813  -0.217796   322 HOH   B O    
6184 O O    . HOH   K .   ? 0.238415  0.305084  0.185896  -0.015852   0.0814834   -0.0442212  323 HOH   B O    
6185 O O    . HOH   K .   ? 0.240865  0.388023  0.14214   0.030355    0.0958261   0.00544882  324 HOH   B O    
6186 O O    . HOH   K .   ? 0.183486  0.297504  0.377286  0.0194593   0.0675534   0.0957736   325 HOH   B O    
6187 O O    . HOH   K .   ? 0.205349  0.227879  0.300702  -0.0118534  0.0800199   -0.0149332  326 HOH   B O    
6188 O O    . HOH   K .   ? 0.27174   0.302977  0.342633  0.0194131   0.107298    0.0373139   327 HOH   B O    
6189 O O    . HOH   K .   ? 0.398266  0.62166   0.296662  0.143268    0.133613    0.0565737   328 HOH   B O    
6190 O O    . HOH   K .   ? 0.220392  0.287919  0.220826  -0.00613405 -0.00138317 0.0109335   329 HOH   B O    
6191 O O    . HOH   K .   ? 0.22297   0.32368   0.354207  -0.0186017  -0.0753477  -0.0218335  330 HOH   B O    
6192 O O    . HOH   K .   ? 0.497506  0.511129  0.504059  -0.251745   0.245191    -0.0555282  331 HOH   B O    
6193 O O    . HOH   K .   ? 0.124033  0.322521  0.216534  -0.0283432  0.041874    0.0350995   332 HOH   B O    
6194 O O    . HOH   K .   ? 0.345968  0.338158  0.155108  0.026994    0.0396467   0.0610142   333 HOH   B O    
6195 O O    . HOH   K .   ? 0.505741  0.31363   0.41678   -0.0575103  0.041914    0.00704017  334 HOH   B O    
6196 O O    . HOH   K .   ? 0.542999  0.503556  0.582721  -0.088927   -0.130822   -0.103332   335 HOH   B O    
6197 O O    . HOH   K .   ? 0.391371  0.485329  0.209848  0.0679487   0.0825033   0.137798    336 HOH   B O    
6198 O O    . HOH   K .   ? 0.31138   0.567528  0.681263  0.0447721   0.181866    -0.224799   337 HOH   B O    
6199 O O    . HOH   K .   ? 0.343337  0.402364  0.324765  -0.0891457  -0.106498   0.0281283   338 HOH   B O    
6200 O O    . HOH   K .   ? 0.231893  0.353185  0.401054  -0.0158693  -0.0670863  -0.0514266  339 HOH   B O    
6201 O O    . HOH   K .   ? 0.804211  0.455874  0.360522  -0.0459783  0.0100335   -0.0268168  340 HOH   B O    
6202 O O    . HOH   K .   ? 0.160958  0.393071  0.360283  -0.0500437  0.0868433   -0.0255448  341 HOH   B O    
6203 O O    . HOH   K .   ? 0.651043  0.628579  0.20772   -0.0710133  0.180785    0.00321542  342 HOH   B O    
6204 O O    . HOH   K .   ? 0.120944  0.372696  0.239448  -0.0207227  0.0883487   -0.0332686  343 HOH   B O    
6205 O O    . HOH   K .   ? 0.365531  0.750447  0.266022  0.0324413   0.0915881   -0.0577107  344 HOH   B O    
6206 O O    . HOH   K .   ? 0.553537  0.386597  0.490525  0.103522    -0.0808438  0.0640439   345 HOH   B O    
6207 O O    . HOH   K .   ? 0.2927    0.308325  0.365804  -0.0641714  -0.0655004  -0.0295965  346 HOH   B O    
6208 O O    . HOH   K .   ? 0.363706  0.784538  0.32496   0.0817836   0.142708    -0.103762   347 HOH   B O    
6209 O O    . HOH   K .   ? 0.233606  0.742408  0.356159  0.0926497   0.256818    -0.00843711 348 HOH   B O    
6210 O O    . HOH   K .   ? 0.282889  0.236352  0.276963  -0.00052783 -0.00228277 0.0453831   349 HOH   B O    
6211 O O    . HOH   K .   ? 0.656308  0.469289  0.196224  0.0990656   0.127933    -0.11906    350 HOH   B O    
6212 O O    . HOH   K .   ? 0.325918  0.271593  0.263194  -0.0147446  -0.0659891  0.0485317   351 HOH   B O    
6213 O O    . HOH   K .   ? 0.39701   0.391437  0.610832  0.10041     0.115046    0.0195514   352 HOH   B O    
6214 O O    . HOH   K .   ? 0.188374  0.202298  0.42271   -0.0239173  0.0341858   -0.0347346  353 HOH   B O    
6215 O O    . HOH   K .   ? 0.119169  0.552374  0.406451  -0.0176811  0.0557781   0.109308    354 HOH   B O    
6216 O O    . HOH   K .   ? 0.40519   0.370236  0.50674   0.0266235   -0.0417214  0.0109416   355 HOH   B O    
6217 O O    . HOH   K .   ? 0.45648   0.494114  0.338982  0.126825    0.0181479   0.103425    356 HOH   B O    
6218 O O    . HOH   K .   ? 0.41053   0.432628  0.483399  0.0423817   0.0819401   0.0851042   357 HOH   B O    
6219 O O    . HOH   K .   ? 0.505692  0.612134  0.319103  -0.0363821  0.106458    -0.101784   358 HOH   B O    
6220 O O    . HOH   K .   ? 0.346812  0.424381  0.632745  0.0238709   0.22907     -0.142258   359 HOH   B O    
6221 O O    . HOH   K .   ? 0.755217  0.324258  0.343337  0.0368143   -0.170168   -0.027465   360 HOH   B O    
6222 O O    . HOH   K .   ? 0.425931  0.418989  0.455979  -0.0902659  -0.121835   0.0692256   361 HOH   B O    
6223 O O    . HOH   K .   ? 0.27406   0.424036  0.518162  -0.102065   -0.11868    0.0783296   362 HOH   B O    
6224 O O    . HOH   K .   ? 0.33129   0.529168  0.487021  0.00043031  -0.00329628 -0.132107   363 HOH   B O    
6225 O O    . HOH   K .   ? 0.381409  0.51462   0.815907  0.229499    0.177644    0.0652614   364 HOH   B O    
6226 O O    . HOH   K .   ? 0.150587  0.814894  0.411024  0.0689869   0.126432    -0.00246155 365 HOH   B O    
6227 O O    . HOH   K .   ? 0.249078  0.322203  0.764848  -0.034856   -0.0451456  -0.00362895 366 HOH   B O    
6228 O O    . HOH   K .   ? 0.444639  0.438247  0.394375  0.0546385   -0.027088   0.05942     367 HOH   B O    
6229 O O    . HOH   K .   ? 0.301333  0.722275  0.531124  -0.296047   -0.120841   0.0859466   368 HOH   B O    
6230 O O    . HOH   K .   ? 0.478567  0.482141  0.30257   -0.132904   -0.0197907  0.0497057   369 HOH   B O    
6231 O O    . HOH   K .   ? 0.434887  0.681868  0.504084  0.0793995   0.095517    -0.13527    370 HOH   B O    
6232 O O    . HOH   K .   ? 0.185971  0.688497  0.658721  -0.0602896  0.171202    0.300716    371 HOH   B O    
6233 O O    . HOH   K .   ? 0.18576   0.4416    0.194997  0.0100961   0.0899463   0.0670206   372 HOH   B O    
6234 O O    . HOH   K .   ? 0.464499  0.445285  0.634083  -0.0701369  0.0781359   -0.00339123 373 HOH   B O    
6235 O O    . HOH   K .   ? 0.360824  0.316127  0.686439  0.0323825   -0.0983692  0.102329    374 HOH   B O    
6236 O O    . HOH   K .   ? 0.231249  0.92572   0.73639   0.154969    0.0603123   0.0982146   375 HOH   B O    
6237 O O    . HOH   K .   ? 0.407822  0.528637  0.358313  0.146927    -0.0564622  -0.067838   376 HOH   B O    
6238 O O    . HOH   K .   ? 0.471219  0.587895  0.451308  0.0131351   -0.04713    -0.162785   377 HOH   B O    
6239 O O    . HOH   K .   ? 0.759686  0.406839  0.304792  0.163959    0.0319966   -0.119696   378 HOH   B O    
6240 O O    . HOH   K .   ? 0.611131  0.611844  0.263894  0.210029    -0.00318631 -0.0776037  379 HOH   B O    
6241 O O    . HOH   K .   ? 0.386325  0.540269  0.703913  0.00909043  -0.12295    -0.0335411  380 HOH   B O    
6242 O O    . HOH   K .   ? 0.56953   0.309698  0.498224  0.0137724   -0.0438255  -0.0304794  381 HOH   B O    
6243 O O    . HOH   K .   ? 0.439256  0.519432  0.496403  0.0450611   0.118381    -0.00060059 382 HOH   B O    
6244 O O    . HOH   K .   ? 0.194496  0.462576  0.985416  0.146423    -0.112872   -0.0997024  383 HOH   B O    
6245 O O    . HOH   K .   ? 0.210863  0.438039  0.287054  -0.050355   0.0553658   0.00267105  384 HOH   B O    
6246 O O    . HOH   K .   ? 0.535312  0.252663  0.429152  -0.076396   -0.106642   -0.00367402 385 HOH   B O    
6247 O O    . HOH   K .   ? 0.686506  0.317871  0.269194  -0.0282924  -0.0215298  0.0202485   386 HOH   B O    
6248 O O    . HOH   K .   ? 0.608204  0.540145  0.423639  -0.00581349 -0.177097   -0.108136   387 HOH   B O    
6249 O O    . HOH   K .   ? 0.352151  0.382206  0.556544  -0.0509144  0.0419259   0.00413734  388 HOH   B O    
6250 O O    . HOH   K .   ? 0.214565  0.396105  0.558387  0.0731053   0.0826936   0.165509    389 HOH   B O    
6251 O O    . HOH   K .   ? 0.445897  0.462607  0.626027  -0.0141525  0.188728    -0.0391066  390 HOH   B O    
6252 O O    . HOH   K .   ? 0.153025  0.432453  0.483799  -0.0763861  -0.0135704  0.0330276   391 HOH   B O    
6253 O O    . HOH   K .   ? 0.3251    0.481962  0.522098  0.0390664   0.0329225   0.0949408   392 HOH   B O    
6254 O O    . HOH   K .   ? 0.445032  0.34993   0.347118  -0.0615253  -0.00855792 -0.00171954 393 HOH   B O    
6255 O O    . HOH   K .   ? 0.306192  0.48621   0.482514  -0.062098   0.1241      -0.0458766  394 HOH   B O    
6256 O O    . HOH   K .   ? 0.333559  0.564709  0.423628  0.039735    0.20925     -0.0549567  395 HOH   B O    
6257 O O    . HOH   K .   ? 0.589408  0.355104  0.226607  0.0181023   -0.0203286  -0.0193418  396 HOH   B O    
6258 O O    . HOH   K .   ? 0.268651  0.319567  0.540325  -0.0144963  0.169757    0.0373813   397 HOH   B O    
6259 O O    . HOH   K .   ? 0.415672  0.409225  0.358888  -0.0912346  -0.0109678  0.1331      398 HOH   B O    
6260 O O    . HOH   K .   ? 0.395607  0.613149  0.57625   0.247611    -0.0873233  0.014009    399 HOH   B O    
6261 O O    . HOH   K .   ? 0.204599  0.471721  0.314009  0.0422916   0.238505    0.0573566   400 HOH   B O    
6262 O O    . HOH   K .   ? 0.360017  0.682693  0.540543  -0.0418754  0.0336734   -0.0219939  401 HOH   B O    
6263 O O    . HOH   K .   ? 0.301258  0.436807  0.289544  -0.0795988  0.0817935   -0.0158227  402 HOH   B O    
6264 O O    . HOH   K .   ? 0.214363  0.303344  0.413836  0.0170422   0.0281994   0.0401801   403 HOH   B O    
6265 O O    . HOH   K .   ? 0.432752  0.556159  0.426258  0.100434    0.109411    0.205529    404 HOH   B O    
6266 O O    . HOH   L .   ? 0.497946  0.39776   0.457751  -0.01181    -0.0205356  -0.065808   301 HOH   C O    
6267 O O    . HOH   L .   ? 0.306485  0.405672  0.324674  -0.0697852  -0.0187181  -0.114776   302 HOH   C O    
6268 O O    . HOH   L .   ? 0.277061  0.658678  0.322418  -0.120986   -0.0167136  0.00295881  303 HOH   C O    
6269 O O    . HOH   L .   ? 0.445583  0.460788  0.316403  -0.00871314 0.0194471   -0.0270799  304 HOH   C O    
6270 O O    . HOH   L .   ? 0.53684   0.227031  0.687057  -0.0846171  -0.201911   0.0189078   305 HOH   C O    
6271 O O    . HOH   L .   ? 0.229072  0.237048  0.227297  -0.0680037  0.0749116   -0.0187462  306 HOH   C O    
6272 O O    . HOH   L .   ? 0.399661  0.443138  0.379557  0.169473    -0.00977846 -0.12289    307 HOH   C O    
6273 O O    . HOH   L .   ? 0.534195  0.850348  0.31398   -0.242317   -0.041117   -0.003244   308 HOH   C O    
6274 O O    . HOH   L .   ? 0.112317  0.431131  0.224269  -0.127295   0.0451935   0.0420192   309 HOH   C O    
6275 O O    . HOH   L .   ? 0.477248  0.731085  0.843595  -0.219958   -0.0137874  0.471825    310 HOH   C O    
6276 O O    . HOH   L .   ? 0.300563  0.71458   0.662267  -0.0959493  0.268859    0.14371     311 HOH   C O    
6277 O O    . HOH   L .   ? 0.247094  0.257353  0.198178  0.00022575  0.124112    -0.016738   312 HOH   C O    
6278 O O    . HOH   L .   ? 0.539581  0.312962  0.264772  -0.0436099  0.0689677   -0.105881   313 HOH   C O    
6279 O O    . HOH   L .   ? 0.387189  0.650397  0.409201  0.00530678  -0.0836849  0.175062    314 HOH   C O    
6280 O O    . HOH   L .   ? 0.415407  0.342481  0.191496  -0.0707238  0.0439589   -0.0498005  315 HOH   C O    
6281 O O    . HOH   L .   ? 0.38651   0.505008  0.561993  -0.082537   -0.0172936  -0.0434453  316 HOH   C O    
6282 O O    . HOH   L .   ? 0.270175  0.363886  0.269994  0.0716379   0.0282957   0.00477167  317 HOH   C O    
6283 O O    . HOH   L .   ? 0.276645  0.847164  0.598418  0.0426707   0.0457191   -0.0627886  318 HOH   C O    
6284 O O    . HOH   L .   ? 0.44442   0.426641  0.308376  0.0690638   -0.0626666  -0.00023577 319 HOH   C O    
6285 O O    . HOH   L .   ? 0.307081  0.284327  0.170197  0.00883809  0.03307     -0.0184879  320 HOH   C O    
6286 O O    . HOH   L .   ? 0.459261  0.549675  0.276486  -0.173856   -0.0653234  -0.0139924  321 HOH   C O    
6287 O O    . HOH   L .   ? 0.502174  0.414398  0.33899   0.00720896  0.0674271   0.107546    322 HOH   C O    
6288 O O    . HOH   L .   ? 0.511836  0.525693  0.49135   0.0591028   0.114023    0.075778    323 HOH   C O    
6289 O O    . HOH   L .   ? 0.471189  0.598677  0.346051  0.191295    0.126064    -0.0382375  324 HOH   C O    
6290 O O    . HOH   L .   ? 0.138036  0.418968  0.317615  0.0233588   -0.0166341  0.0124487   325 HOH   C O    
6291 O O    . HOH   L .   ? 0.278913  0.459312  0.721978  0.0629448   -0.228738   -0.0757115  326 HOH   C O    
6292 O O    . HOH   L .   ? 0.360889  0.374719  0.23111   0.106152    0.0567519   -0.0198266  327 HOH   C O    
6293 O O    . HOH   L .   ? 0.296421  0.433262  0.542322  0.0320542   -0.133763   0.0162617   328 HOH   C O    
6294 O O    . HOH   L .   ? 0.230825  0.528269  0.617501  -0.0377558  0.12492     0.0789668   329 HOH   C O    
6295 O O    . HOH   L .   ? 0.747496  0.287216  0.472198  -0.176528   -0.222929   0.162575    330 HOH   C O    
6296 O O    . HOH   L .   ? 0.295065  0.398172  0.323343  0.0414237   -0.051427   0.0718725   331 HOH   C O    
6297 O O    . HOH   L .   ? 0.453472  0.549206  0.586947  -0.139336   -0.126573   0.0115785   332 HOH   C O    
6298 O O    . HOH   L .   ? 0.368754  0.324139  0.384665  -0.0832958  0.0463453   0.0809481   333 HOH   C O    
6299 O O    . HOH   L .   ? 0.104322  0.384407  0.174423  -0.0466531  0.0599666   -0.0427138  334 HOH   C O    
6300 O O    . HOH   L .   ? 0.521667  0.445134  0.58267   -0.00492761 -0.149451   0.0134446   335 HOH   C O    
6301 O O    . HOH   L .   ? 0.175481  0.325593  0.308079  -0.0631326  0.0390158   0.0765187   336 HOH   C O    
6302 O O    . HOH   L .   ? 0.369735  0.280277  0.418338  -0.0812626  -0.0499842  -0.101602   337 HOH   C O    
6303 O O    . HOH   L .   ? 0.282727  0.321147  0.390747  -0.0925988  -0.131341   0.0312616   338 HOH   C O    
6304 O O    . HOH   L .   ? 0.152072  0.31862   0.230905  -0.00095848 -0.0164364  -0.00228952 339 HOH   C O    
6305 O O    . HOH   L .   ? 0.308904  0.650916  0.646243  0.0404551   0.075146    -0.00735509 340 HOH   C O    
6306 O O    . HOH   L .   ? 0.337397  0.392194  0.24037   -0.157429   -0.0452974  0.0787558   341 HOH   C O    
6307 O O    . HOH   L .   ? 0.754482  0.294451  0.736689  0.114708    -0.208485   -0.223599   342 HOH   C O    
6308 O O    . HOH   L .   ? 0.435792  0.637615  0.436518  0.0126448   -0.00529048 0.133391    343 HOH   C O    
6309 O O    . HOH   L .   ? 0.372008  0.467479  0.558741  0.0913539   -0.202214   -0.148929   344 HOH   C O    
6310 O O    . HOH   L .   ? 0.322825  0.388412  0.250971  -0.00850019 -0.0107834  -0.105126   345 HOH   C O    
6311 O O    . HOH   L .   ? 0.364707  0.399349  0.425199  0.0392562   -0.190483   -0.0112046  346 HOH   C O    
6312 O O    . HOH   L .   ? 0.54101   0.516159  0.435465  -0.147244   -0.105265   -0.128862   347 HOH   C O    
6313 O O    . HOH   L .   ? 0.374422  0.314426  0.315981  -0.0311053  -0.00152509 -0.00912103 348 HOH   C O    
6314 O O    . HOH   L .   ? 0.528448  0.584     0.3551    -0.0256517  -0.0179359  -0.244984   349 HOH   C O    
6315 O O    . HOH   L .   ? 0.177597  0.354188  0.535305  -0.0254936  -0.0143432  0.0519506   350 HOH   C O    
6316 O O    . HOH   L .   ? 0.685378  0.279953  0.238807  0.075567    0.0826767   -0.0240308  351 HOH   C O    
6317 O O    . HOH   L .   ? 0.555547  0.316347  0.448256  -0.0454972  0.0624314   -0.0867231  352 HOH   C O    
6318 O O    . HOH   L .   ? 0.377615  0.382017  0.244103  -0.00859989 -0.0953438  0.058673    353 HOH   C O    
6319 O O    . HOH   L .   ? 0.499502  0.6947    0.429414  -0.00873059 -0.135518   0.155811    354 HOH   C O    
6320 O O    . HOH   L .   ? 0.227494  0.357772  0.33239   -0.0903036  -0.0410513  0.0476936   355 HOH   C O    
6321 O O    . HOH   L .   ? 0.252327  0.288977  0.252807  0.0181056   -0.00566485 -0.0583603  356 HOH   C O    
6322 O O    . HOH   L .   ? 0.606342  0.462681  0.376881  0.254226    0.137091    0.0393574   357 HOH   C O    
6323 O O    . HOH   L .   ? 0.432742  0.530676  0.527957  -0.075621   0.00839021  -0.164549   358 HOH   C O    
6324 O O    . HOH   L .   ? 0.200358  0.42108   0.383197  -0.127875   0.0863704   -0.0144679  359 HOH   C O    
6325 O O    . HOH   L .   ? 0.405047  0.769812  0.445581  -0.113165   0.00389087  0.21405     360 HOH   C O    
6326 O O    . HOH   L .   ? 0.342488  0.283666  0.168629  0.0849508   0.0143316   -0.0359887  361 HOH   C O    
6327 O O    . HOH   L .   ? 0.807745  0.410691  0.445701  -0.00368368 0.00746017  0.07802     362 HOH   C O    
6328 O O    . HOH   L .   ? 0.516836  0.339961  0.514122  -0.0210903  -0.225893   -0.0385515  363 HOH   C O    
6329 O O    . HOH   L .   ? 0.192649  0.359412  0.167946  0.0231239   0.0147254   -0.0255237  364 HOH   C O    
6330 O O    . HOH   L .   ? 0.387484  0.445368  0.375659  0.0171436   -0.125622   -0.13109    365 HOH   C O    
6331 O O    . HOH   L .   ? 0.54013   0.28474   0.278052  0.0316638   -0.00512701 0.0507209   366 HOH   C O    
6332 O O    . HOH   L .   ? 0.487288  0.5089    0.353495  -0.0335174  0.0535946   0.0899467   367 HOH   C O    
6333 O O    . HOH   L .   ? 0.463678  0.552632  0.199752  -0.00242724 0.131116    0.11992     368 HOH   C O    
6334 O O    . HOH   L .   ? 0.279416  0.282714  0.194612  -0.071929   -0.0219216  0.0517737   369 HOH   C O    
6335 O O    . HOH   L .   ? 0.329823  1.89388   0.620071  -0.118013   0.444883    -0.10295    370 HOH   C O    
6336 O O    . HOH   L .   ? 0.625039  0.432411  0.471106  -0.153762   -0.26696    -0.0828312  371 HOH   C O    
6337 O O    . HOH   L .   ? 0.338382  0.744439  0.519327  0.126892    0.0389365   -0.115656   372 HOH   C O    
6338 O O    . HOH   L .   ? 0.717143  0.447123  0.26715   0.064755    0.173459    0.0887885   373 HOH   C O    
6339 O O    . HOH   L .   ? 0.28751   0.333016  0.487254  -0.0248392  0.23122     -0.0263511  374 HOH   C O    
6340 O O    . HOH   L .   ? 0.23907   0.327786  0.661676  0.0435906   -0.069761   -0.0246683  375 HOH   C O    
6341 O O    . HOH   L .   ? 0.343697  0.416053  0.28576   -0.11924    0.0290323   0.0873818   376 HOH   C O    
6342 O O    . HOH   L .   ? 0.410868  0.748432  0.496134  0.0320907   -0.124448   -0.116689   377 HOH   C O    
6343 O O    . HOH   L .   ? 0.171598  0.662869  0.397009  -0.0246787  -0.0435112  -0.0499863  378 HOH   C O    
6344 O O    . HOH   L .   ? 0.392692  0.514332  0.307238  0.066448    0.00878196  -0.131087   379 HOH   C O    
6345 O O    . HOH   L .   ? 0.807258  0.231775  0.281366  -0.0558861  -0.100016   -0.0291955  380 HOH   C O    
6346 O O    . HOH   L .   ? 0.438569  0.575479  0.345078  -0.00866023 -0.0764679  0.113385    381 HOH   C O    
6347 O O    . HOH   L .   ? 0.356021  0.480462  0.435437  0.0511163   -0.143466   -0.0135786  382 HOH   C O    
6348 O O    . HOH   L .   ? 0.809661  0.480954  0.32574   -0.139802   -0.101225   0.170472    383 HOH   C O    
6349 O O    . HOH   L .   ? 0.476224  0.317628  0.410321  -0.0468118  -0.0412068  -0.0741793  384 HOH   C O    
6350 O O    . HOH   L .   ? 0.345035  0.492517  0.574657  0.0564183   0.0626372   0.0894673   385 HOH   C O    
6351 O O    . HOH   L .   ? 0.337955  0.333922  0.232555  -0.131997   0.139422    -0.0631816  386 HOH   C O    
6352 O O    . HOH   L .   ? 0.290578  0.37357   0.400186  0.0561579   0.0504813   -0.0961507  387 HOH   C O    
6353 O O    . HOH   L .   ? 0.491342  0.515213  0.365949  -0.00387737 0.0832458   -0.0942596  388 HOH   C O    
6354 O O    . HOH   L .   ? 0.453974  0.385905  0.463213  -0.0364935  0.0269491   -0.0663346  389 HOH   C O    
6355 O O    . HOH   L .   ? 0.285299  0.516142  0.452142  0.0489665   -0.0549157  -0.0630482  390 HOH   C O    
6356 O O    . HOH   L .   ? 0.443415  0.48219   0.507206  -0.0555274  -0.0722774  0.0499544   391 HOH   C O    
6357 O O    . HOH   L .   ? 0.555371  0.36555   0.232991  -0.0581538  -0.0287734  -0.0542859  392 HOH   C O    
6358 O O    . HOH   L .   ? 0.43772   0.301959  0.406912  -0.111985   0.0799386   0.0550856   393 HOH   C O    
6359 O O    . HOH   L .   ? 0.341578  0.447145  0.34207   -0.0354063  0.0682689   -0.0296958  394 HOH   C O    
6360 O O    . HOH   L .   ? 0.351199  0.330133  0.497903  0.0196469   -0.0123293  -0.00183803 395 HOH   C O    
6361 O O    . HOH   L .   ? 0.497034  0.33635   0.933857  -0.0248482  0.144752    -0.156614   396 HOH   C O    
6362 O O    . HOH   L .   ? 0.574746  0.281065  0.218067  -0.0957019  0.0563916   0.101694    397 HOH   C O    
6363 O O    . HOH   L .   ? 0.171596  0.405422  0.411018  -0.0173645  0.0184382   -0.0578972  398 HOH   C O    
6364 O O    . HOH   L .   ? 0.31121   0.535941  0.433705  0.058905    -0.00017789 0.149853    399 HOH   C O    
6365 O O    . HOH   L .   ? 0.644191  0.621048  0.195343  0.151514    0.0894455   -0.105173   400 HOH   C O    
6366 O O    . HOH   L .   ? 0.353336  0.308598  0.358955  -0.00782891 -0.0397906  -0.0547748  401 HOH   C O    
6367 O O    . HOH   L .   ? 0.211349  0.318532  0.536622  -0.0114534  -0.0116065  0.109855    402 HOH   C O    
# 
