data_9HFW
# 
_entry.id   9HFW 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.403 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   9HFW         pdb_00009hfw 10.2210/pdb9hfw/pdb 
WWPDB D_1292141644 ?            ?                   
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2025-04-23 
_pdbx_audit_revision_history.part_number         ? 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9HFW 
_pdbx_database_status.recvd_initial_deposition_date   2024-11-18 
_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           Y 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              E.Zeqiraj@leeds.ac.uk 
_pdbx_contact_author.name_first         Elton 
_pdbx_contact_author.name_last          Zeqiraj 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0003-0239-5926 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Makhlouf, L.' 1 0000-0001-7835-6005 
'Zeqiraj, E.'  2 0000-0003-0239-5926 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   UK 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            Biochem.J. 
_citation.journal_id_ASTM           BIJOAK 
_citation.journal_id_CSD            0043 
_citation.journal_id_ISSN           1470-8728 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     'Sequence rules for a long SPOP-binding degron required for protein ubiquitylation.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1042/BCJ20253041 
_citation.pdbx_database_id_PubMed   40178506 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Makhlouf, L.' 1 0000-0001-7835-6005 
primary 'Mishra, M.'   2 0000-0001-8226-2861 
primary 'Makhlouf, H.' 3 0009-0003-5661-9283 
primary 'Manfield, I.' 4 0000-0003-3765-0325 
primary 'Busino, L.'   5 0000-0001-6758-9276 
primary 'Zeqiraj, E.'  6 0000-0003-0239-5926 
# 
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 'Speckle type BTB/POZ protein'   16141.605 1   ?        ? ? ? 
2 polymer syn 'Nuclear receptor coactivator 3' 1735.740  1   2.3.1.48 ? ? ? 
3 water   nat water                            18.015    132 ?        ? ? ? 
# 
_entity_name_com.entity_id   2 
_entity_name_com.name        
;NCoA-3,ACTR,Amplified in breast cancer 1 protein,AIB-1,CBP-interacting protein,pCIP,Class E basic helix-loop-helix protein 42,bHLHe42,Receptor-associated coactivator 3,RAC-3,Steroid receptor coactivator protein 3,SRC-3,Thyroid hormone receptor activator molecule 1,TRAM-1
;
# 
loop_
_entity_poly.entity_id 
_entity_poly.type 
_entity_poly.nstd_linkage 
_entity_poly.nstd_monomer 
_entity_poly.pdbx_seq_one_letter_code 
_entity_poly.pdbx_seq_one_letter_code_can 
_entity_poly.pdbx_strand_id 
_entity_poly.pdbx_target_identifier 
1 'polypeptide(L)' no no 
;KVVKFSYMWTINNFSFCREEMGEVIKSSTFSSGANDKLKWCLRVNPKGLDEESKDYLSLYLLLVSCPKSEVRAKFKFSIL
NAKGEETKAMESQRAYRFVQGKDWGFKKFIRRDFLLDEANGLLPDDKLTLFCEVSVVQD
;
;KVVKFSYMWTINNFSFCREEMGEVIKSSTFSSGANDKLKWCLRVNPKGLDEESKDYLSLYLLLVSCPKSEVRAKFKFSIL
NAKGEETKAMESQRAYRFVQGKDWGFKKFIRRDFLLDEANGLLPDDKLTLFCEVSVVQD
;
A ? 
2 'polypeptide(L)' no no NDDDVQKADVSSTGQGV NDDDVQKADVSSTGQGV B ? 
# 
_pdbx_entity_nonpoly.entity_id   3 
_pdbx_entity_nonpoly.name        water 
_pdbx_entity_nonpoly.comp_id     HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   LYS n 
1 2   VAL n 
1 3   VAL n 
1 4   LYS n 
1 5   PHE n 
1 6   SER n 
1 7   TYR n 
1 8   MET n 
1 9   TRP n 
1 10  THR n 
1 11  ILE n 
1 12  ASN n 
1 13  ASN n 
1 14  PHE n 
1 15  SER n 
1 16  PHE n 
1 17  CYS n 
1 18  ARG n 
1 19  GLU n 
1 20  GLU n 
1 21  MET n 
1 22  GLY n 
1 23  GLU n 
1 24  VAL n 
1 25  ILE n 
1 26  LYS n 
1 27  SER n 
1 28  SER n 
1 29  THR n 
1 30  PHE n 
1 31  SER n 
1 32  SER n 
1 33  GLY n 
1 34  ALA n 
1 35  ASN n 
1 36  ASP n 
1 37  LYS n 
1 38  LEU n 
1 39  LYS n 
1 40  TRP n 
1 41  CYS n 
1 42  LEU n 
1 43  ARG n 
1 44  VAL n 
1 45  ASN n 
1 46  PRO n 
1 47  LYS n 
1 48  GLY n 
1 49  LEU n 
1 50  ASP n 
1 51  GLU n 
1 52  GLU n 
1 53  SER n 
1 54  LYS n 
1 55  ASP n 
1 56  TYR n 
1 57  LEU n 
1 58  SER n 
1 59  LEU n 
1 60  TYR n 
1 61  LEU n 
1 62  LEU n 
1 63  LEU n 
1 64  VAL n 
1 65  SER n 
1 66  CYS n 
1 67  PRO n 
1 68  LYS n 
1 69  SER n 
1 70  GLU n 
1 71  VAL n 
1 72  ARG n 
1 73  ALA n 
1 74  LYS n 
1 75  PHE n 
1 76  LYS n 
1 77  PHE n 
1 78  SER n 
1 79  ILE n 
1 80  LEU n 
1 81  ASN n 
1 82  ALA n 
1 83  LYS n 
1 84  GLY n 
1 85  GLU n 
1 86  GLU n 
1 87  THR n 
1 88  LYS n 
1 89  ALA n 
1 90  MET n 
1 91  GLU n 
1 92  SER n 
1 93  GLN n 
1 94  ARG n 
1 95  ALA n 
1 96  TYR n 
1 97  ARG n 
1 98  PHE n 
1 99  VAL n 
1 100 GLN n 
1 101 GLY n 
1 102 LYS n 
1 103 ASP n 
1 104 TRP n 
1 105 GLY n 
1 106 PHE n 
1 107 LYS n 
1 108 LYS n 
1 109 PHE n 
1 110 ILE n 
1 111 ARG n 
1 112 ARG n 
1 113 ASP n 
1 114 PHE n 
1 115 LEU n 
1 116 LEU n 
1 117 ASP n 
1 118 GLU n 
1 119 ALA n 
1 120 ASN n 
1 121 GLY n 
1 122 LEU n 
1 123 LEU n 
1 124 PRO n 
1 125 ASP n 
1 126 ASP n 
1 127 LYS n 
1 128 LEU n 
1 129 THR n 
1 130 LEU n 
1 131 PHE n 
1 132 CYS n 
1 133 GLU n 
1 134 VAL n 
1 135 SER n 
1 136 VAL n 
1 137 VAL n 
1 138 GLN n 
1 139 ASP n 
2 1   ASN n 
2 2   ASP n 
2 3   ASP n 
2 4   ASP n 
2 5   VAL n 
2 6   GLN n 
2 7   LYS n 
2 8   ALA n 
2 9   ASP n 
2 10  VAL n 
2 11  SER n 
2 12  SER n 
2 13  THR n 
2 14  GLY n 
2 15  GLN n 
2 16  GLY n 
2 17  VAL 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                   139 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 SPOP 
_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' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_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                   ? 
# 
_pdbx_entity_src_syn.entity_id              2 
_pdbx_entity_src_syn.pdbx_src_id            1 
_pdbx_entity_src_syn.pdbx_alt_source_flag   sample 
_pdbx_entity_src_syn.pdbx_beg_seq_num       1 
_pdbx_entity_src_syn.pdbx_end_seq_num       17 
_pdbx_entity_src_syn.organism_scientific    'Homo sapiens' 
_pdbx_entity_src_syn.organism_common_name   human 
_pdbx_entity_src_syn.ncbi_taxonomy_id       9606 
_pdbx_entity_src_syn.details                ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE         ? 'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE        ? 'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE      ? 'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4'     133.103 
CYS 'L-peptide linking' y CYSTEINE        ? 'C3 H7 N O2 S'   121.158 
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  
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   LYS 1   28  ?   ?   ?   A . n 
A 1 2   VAL 2   29  ?   ?   ?   A . n 
A 1 3   VAL 3   30  30  VAL VAL A . n 
A 1 4   LYS 4   31  31  LYS LYS A . n 
A 1 5   PHE 5   32  32  PHE PHE A . n 
A 1 6   SER 6   33  33  SER SER A . n 
A 1 7   TYR 7   34  34  TYR TYR A . n 
A 1 8   MET 8   35  35  MET MET A . n 
A 1 9   TRP 9   36  36  TRP TRP A . n 
A 1 10  THR 10  37  37  THR THR A . n 
A 1 11  ILE 11  38  38  ILE ILE A . n 
A 1 12  ASN 12  39  39  ASN ASN A . n 
A 1 13  ASN 13  40  40  ASN ASN A . n 
A 1 14  PHE 14  41  41  PHE PHE A . n 
A 1 15  SER 15  42  42  SER SER A . n 
A 1 16  PHE 16  43  43  PHE PHE A . n 
A 1 17  CYS 17  44  44  CYS CYS A . n 
A 1 18  ARG 18  45  45  ARG ARG A . n 
A 1 19  GLU 19  46  46  GLU GLU A . n 
A 1 20  GLU 20  47  47  GLU GLU A . n 
A 1 21  MET 21  48  48  MET MET A . n 
A 1 22  GLY 22  49  49  GLY GLY A . n 
A 1 23  GLU 23  50  50  GLU GLU A . n 
A 1 24  VAL 24  51  51  VAL VAL A . n 
A 1 25  ILE 25  52  52  ILE ILE A . n 
A 1 26  LYS 26  53  53  LYS LYS A . n 
A 1 27  SER 27  54  54  SER SER A . n 
A 1 28  SER 28  55  55  SER SER A . n 
A 1 29  THR 29  56  56  THR THR A . n 
A 1 30  PHE 30  57  57  PHE PHE A . n 
A 1 31  SER 31  58  58  SER SER A . n 
A 1 32  SER 32  59  59  SER SER A . n 
A 1 33  GLY 33  60  60  GLY GLY A . n 
A 1 34  ALA 34  61  61  ALA ALA A . n 
A 1 35  ASN 35  62  62  ASN ASN A . n 
A 1 36  ASP 36  63  63  ASP ASP A . n 
A 1 37  LYS 37  64  64  LYS LYS A . n 
A 1 38  LEU 38  65  65  LEU LEU A . n 
A 1 39  LYS 39  66  66  LYS LYS A . n 
A 1 40  TRP 40  67  67  TRP TRP A . n 
A 1 41  CYS 41  68  68  CYS CYS A . n 
A 1 42  LEU 42  69  69  LEU LEU A . n 
A 1 43  ARG 43  70  70  ARG ARG A . n 
A 1 44  VAL 44  71  71  VAL VAL A . n 
A 1 45  ASN 45  72  72  ASN ASN A . n 
A 1 46  PRO 46  73  73  PRO PRO A . n 
A 1 47  LYS 47  74  74  LYS LYS A . n 
A 1 48  GLY 48  75  75  GLY GLY A . n 
A 1 49  LEU 49  76  76  LEU LEU A . n 
A 1 50  ASP 50  77  77  ASP ASP A . n 
A 1 51  GLU 51  78  78  GLU GLU A . n 
A 1 52  GLU 52  79  79  GLU GLU A . n 
A 1 53  SER 53  80  80  SER SER A . n 
A 1 54  LYS 54  81  81  LYS LYS A . n 
A 1 55  ASP 55  82  82  ASP ASP A . n 
A 1 56  TYR 56  83  83  TYR TYR A . n 
A 1 57  LEU 57  84  84  LEU LEU A . n 
A 1 58  SER 58  85  85  SER SER A . n 
A 1 59  LEU 59  86  86  LEU LEU A . n 
A 1 60  TYR 60  87  87  TYR TYR A . n 
A 1 61  LEU 61  88  88  LEU LEU A . n 
A 1 62  LEU 62  89  89  LEU LEU A . n 
A 1 63  LEU 63  90  90  LEU LEU A . n 
A 1 64  VAL 64  91  91  VAL VAL A . n 
A 1 65  SER 65  92  92  SER SER A . n 
A 1 66  CYS 66  93  93  CYS CYS A . n 
A 1 67  PRO 67  94  94  PRO PRO A . n 
A 1 68  LYS 68  95  95  LYS LYS A . n 
A 1 69  SER 69  96  96  SER SER A . n 
A 1 70  GLU 70  97  97  GLU GLU A . n 
A 1 71  VAL 71  98  98  VAL VAL A . n 
A 1 72  ARG 72  99  99  ARG ARG A . n 
A 1 73  ALA 73  100 100 ALA ALA A . n 
A 1 74  LYS 74  101 101 LYS LYS A . n 
A 1 75  PHE 75  102 102 PHE PHE A . n 
A 1 76  LYS 76  103 103 LYS LYS A . n 
A 1 77  PHE 77  104 104 PHE PHE A . n 
A 1 78  SER 78  105 105 SER SER A . n 
A 1 79  ILE 79  106 106 ILE ILE A . n 
A 1 80  LEU 80  107 107 LEU LEU A . n 
A 1 81  ASN 81  108 108 ASN ASN A . n 
A 1 82  ALA 82  109 109 ALA ALA A . n 
A 1 83  LYS 83  110 110 LYS LYS A . n 
A 1 84  GLY 84  111 111 GLY GLY A . n 
A 1 85  GLU 85  112 112 GLU GLU A . n 
A 1 86  GLU 86  113 113 GLU GLU A . n 
A 1 87  THR 87  114 114 THR THR A . n 
A 1 88  LYS 88  115 115 LYS LYS A . n 
A 1 89  ALA 89  116 116 ALA ALA A . n 
A 1 90  MET 90  117 117 MET MET A . n 
A 1 91  GLU 91  118 118 GLU GLU A . n 
A 1 92  SER 92  119 119 SER SER A . n 
A 1 93  GLN 93  120 120 GLN GLN A . n 
A 1 94  ARG 94  121 121 ARG ARG A . n 
A 1 95  ALA 95  122 122 ALA ALA A . n 
A 1 96  TYR 96  123 123 TYR TYR A . n 
A 1 97  ARG 97  124 124 ARG ARG A . n 
A 1 98  PHE 98  125 125 PHE PHE A . n 
A 1 99  VAL 99  126 126 VAL VAL A . n 
A 1 100 GLN 100 127 127 GLN GLN A . n 
A 1 101 GLY 101 128 128 GLY GLY A . n 
A 1 102 LYS 102 129 129 LYS LYS A . n 
A 1 103 ASP 103 130 130 ASP ASP A . n 
A 1 104 TRP 104 131 131 TRP TRP A . n 
A 1 105 GLY 105 132 132 GLY GLY A . n 
A 1 106 PHE 106 133 133 PHE PHE A . n 
A 1 107 LYS 107 134 134 LYS LYS A . n 
A 1 108 LYS 108 135 135 LYS LYS A . n 
A 1 109 PHE 109 136 136 PHE PHE A . n 
A 1 110 ILE 110 137 137 ILE ILE A . n 
A 1 111 ARG 111 138 138 ARG ARG A . n 
A 1 112 ARG 112 139 139 ARG ARG A . n 
A 1 113 ASP 113 140 140 ASP ASP A . n 
A 1 114 PHE 114 141 141 PHE PHE A . n 
A 1 115 LEU 115 142 142 LEU LEU A . n 
A 1 116 LEU 116 143 143 LEU LEU A . n 
A 1 117 ASP 117 144 144 ASP ASP A . n 
A 1 118 GLU 118 145 145 GLU GLU A . n 
A 1 119 ALA 119 146 146 ALA ALA A . n 
A 1 120 ASN 120 147 147 ASN ASN A . n 
A 1 121 GLY 121 148 148 GLY GLY A . n 
A 1 122 LEU 122 149 149 LEU LEU A . n 
A 1 123 LEU 123 150 150 LEU LEU A . n 
A 1 124 PRO 124 151 151 PRO PRO A . n 
A 1 125 ASP 125 152 152 ASP ASP A . n 
A 1 126 ASP 126 153 153 ASP ASP A . n 
A 1 127 LYS 127 154 154 LYS LYS A . n 
A 1 128 LEU 128 155 155 LEU LEU A . n 
A 1 129 THR 129 156 156 THR THR A . n 
A 1 130 LEU 130 157 157 LEU LEU A . n 
A 1 131 PHE 131 158 158 PHE PHE A . n 
A 1 132 CYS 132 159 159 CYS CYS A . n 
A 1 133 GLU 133 160 160 GLU GLU A . n 
A 1 134 VAL 134 161 161 VAL VAL A . n 
A 1 135 SER 135 162 162 SER SER A . n 
A 1 136 VAL 136 163 163 VAL VAL A . n 
A 1 137 VAL 137 164 164 VAL VAL A . n 
A 1 138 GLN 138 165 ?   ?   ?   A . n 
A 1 139 ASP 139 166 ?   ?   ?   A . n 
B 2 1   ASN 1   91  91  ASN ASN B . n 
B 2 2   ASP 2   92  92  ASP ASP B . n 
B 2 3   ASP 3   93  93  ASP ASP B . n 
B 2 4   ASP 4   94  94  ASP ASP B . n 
B 2 5   VAL 5   95  95  VAL VAL B . n 
B 2 6   GLN 6   96  96  GLN GLN B . n 
B 2 7   LYS 7   97  97  LYS LYS B . n 
B 2 8   ALA 8   98  98  ALA ALA B . n 
B 2 9   ASP 9   99  99  ASP ASP B . n 
B 2 10  VAL 10  100 100 VAL VAL B . n 
B 2 11  SER 11  101 101 SER SER B . n 
B 2 12  SER 12  102 102 SER SER B . n 
B 2 13  THR 13  103 103 THR THR B . n 
B 2 14  GLY 14  104 104 GLY GLY B . n 
B 2 15  GLN 15  105 ?   ?   ?   B . n 
B 2 16  GLY 16  106 ?   ?   ?   B . n 
B 2 17  VAL 17  107 ?   ?   ?   B . n 
# 
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 
C 3 HOH 1   201 90  HOH HOH A . 
C 3 HOH 2   202 132 HOH HOH A . 
C 3 HOH 3   203 76  HOH HOH A . 
C 3 HOH 4   204 25  HOH HOH A . 
C 3 HOH 5   205 82  HOH HOH A . 
C 3 HOH 6   206 86  HOH HOH A . 
C 3 HOH 7   207 18  HOH HOH A . 
C 3 HOH 8   208 45  HOH HOH A . 
C 3 HOH 9   209 68  HOH HOH A . 
C 3 HOH 10  210 81  HOH HOH A . 
C 3 HOH 11  211 29  HOH HOH A . 
C 3 HOH 12  212 97  HOH HOH A . 
C 3 HOH 13  213 32  HOH HOH A . 
C 3 HOH 14  214 31  HOH HOH A . 
C 3 HOH 15  215 16  HOH HOH A . 
C 3 HOH 16  216 93  HOH HOH A . 
C 3 HOH 17  217 39  HOH HOH A . 
C 3 HOH 18  218 1   HOH HOH A . 
C 3 HOH 19  219 36  HOH HOH A . 
C 3 HOH 20  220 50  HOH HOH A . 
C 3 HOH 21  221 7   HOH HOH A . 
C 3 HOH 22  222 85  HOH HOH A . 
C 3 HOH 23  223 46  HOH HOH A . 
C 3 HOH 24  224 102 HOH HOH A . 
C 3 HOH 25  225 64  HOH HOH A . 
C 3 HOH 26  226 91  HOH HOH A . 
C 3 HOH 27  227 114 HOH HOH A . 
C 3 HOH 28  228 11  HOH HOH A . 
C 3 HOH 29  229 54  HOH HOH A . 
C 3 HOH 30  230 57  HOH HOH A . 
C 3 HOH 31  231 63  HOH HOH A . 
C 3 HOH 32  232 58  HOH HOH A . 
C 3 HOH 33  233 37  HOH HOH A . 
C 3 HOH 34  234 107 HOH HOH A . 
C 3 HOH 35  235 67  HOH HOH A . 
C 3 HOH 36  236 15  HOH HOH A . 
C 3 HOH 37  237 4   HOH HOH A . 
C 3 HOH 38  238 115 HOH HOH A . 
C 3 HOH 39  239 71  HOH HOH A . 
C 3 HOH 40  240 23  HOH HOH A . 
C 3 HOH 41  241 55  HOH HOH A . 
C 3 HOH 42  242 22  HOH HOH A . 
C 3 HOH 43  243 10  HOH HOH A . 
C 3 HOH 44  244 94  HOH HOH A . 
C 3 HOH 45  245 12  HOH HOH A . 
C 3 HOH 46  246 42  HOH HOH A . 
C 3 HOH 47  247 133 HOH HOH A . 
C 3 HOH 48  248 21  HOH HOH A . 
C 3 HOH 49  249 14  HOH HOH A . 
C 3 HOH 50  250 5   HOH HOH A . 
C 3 HOH 51  251 116 HOH HOH A . 
C 3 HOH 52  252 92  HOH HOH A . 
C 3 HOH 53  253 51  HOH HOH A . 
C 3 HOH 54  254 52  HOH HOH A . 
C 3 HOH 55  255 144 HOH HOH A . 
C 3 HOH 56  256 27  HOH HOH A . 
C 3 HOH 57  257 6   HOH HOH A . 
C 3 HOH 58  258 145 HOH HOH A . 
C 3 HOH 59  259 88  HOH HOH A . 
C 3 HOH 60  260 123 HOH HOH A . 
C 3 HOH 61  261 40  HOH HOH A . 
C 3 HOH 62  262 98  HOH HOH A . 
C 3 HOH 63  263 104 HOH HOH A . 
C 3 HOH 64  264 73  HOH HOH A . 
C 3 HOH 65  265 49  HOH HOH A . 
C 3 HOH 66  266 113 HOH HOH A . 
C 3 HOH 67  267 75  HOH HOH A . 
C 3 HOH 68  268 74  HOH HOH A . 
C 3 HOH 69  269 106 HOH HOH A . 
C 3 HOH 70  270 84  HOH HOH A . 
C 3 HOH 71  271 38  HOH HOH A . 
C 3 HOH 72  272 33  HOH HOH A . 
C 3 HOH 73  273 83  HOH HOH A . 
C 3 HOH 74  274 17  HOH HOH A . 
C 3 HOH 75  275 124 HOH HOH A . 
C 3 HOH 76  276 24  HOH HOH A . 
C 3 HOH 77  277 26  HOH HOH A . 
C 3 HOH 78  278 111 HOH HOH A . 
C 3 HOH 79  279 19  HOH HOH A . 
C 3 HOH 80  280 9   HOH HOH A . 
C 3 HOH 81  281 30  HOH HOH A . 
C 3 HOH 82  282 147 HOH HOH A . 
C 3 HOH 83  283 134 HOH HOH A . 
C 3 HOH 84  284 77  HOH HOH A . 
C 3 HOH 85  285 109 HOH HOH A . 
C 3 HOH 86  286 44  HOH HOH A . 
C 3 HOH 87  287 137 HOH HOH A . 
C 3 HOH 88  288 78  HOH HOH A . 
C 3 HOH 89  289 8   HOH HOH A . 
C 3 HOH 90  290 138 HOH HOH A . 
C 3 HOH 91  291 146 HOH HOH A . 
C 3 HOH 92  292 56  HOH HOH A . 
C 3 HOH 93  293 126 HOH HOH A . 
C 3 HOH 94  294 128 HOH HOH A . 
C 3 HOH 95  295 136 HOH HOH A . 
C 3 HOH 96  296 148 HOH HOH A . 
C 3 HOH 97  297 135 HOH HOH A . 
C 3 HOH 98  298 118 HOH HOH A . 
C 3 HOH 99  299 112 HOH HOH A . 
C 3 HOH 100 300 120 HOH HOH A . 
C 3 HOH 101 301 99  HOH HOH A . 
C 3 HOH 102 302 129 HOH HOH A . 
C 3 HOH 103 303 117 HOH HOH A . 
C 3 HOH 104 304 140 HOH HOH A . 
C 3 HOH 105 305 119 HOH HOH A . 
C 3 HOH 106 306 80  HOH HOH A . 
C 3 HOH 107 307 95  HOH HOH A . 
C 3 HOH 108 308 143 HOH HOH A . 
C 3 HOH 109 309 61  HOH HOH A . 
C 3 HOH 110 310 131 HOH HOH A . 
C 3 HOH 111 311 130 HOH HOH A . 
C 3 HOH 112 312 89  HOH HOH A . 
C 3 HOH 113 313 125 HOH HOH A . 
C 3 HOH 114 314 110 HOH HOH A . 
C 3 HOH 115 315 108 HOH HOH A . 
C 3 HOH 116 316 87  HOH HOH A . 
C 3 HOH 117 317 65  HOH HOH A . 
D 3 HOH 1   201 103 HOH HOH B . 
D 3 HOH 2   202 3   HOH HOH B . 
D 3 HOH 3   203 2   HOH HOH B . 
D 3 HOH 4   204 121 HOH HOH B . 
D 3 HOH 5   205 35  HOH HOH B . 
D 3 HOH 6   206 34  HOH HOH B . 
D 3 HOH 7   207 59  HOH HOH B . 
D 3 HOH 8   208 41  HOH HOH B . 
D 3 HOH 9   209 66  HOH HOH B . 
D 3 HOH 10  210 47  HOH HOH B . 
D 3 HOH 11  211 79  HOH HOH B . 
D 3 HOH 12  212 122 HOH HOH B . 
D 3 HOH 13  213 60  HOH HOH B . 
D 3 HOH 14  214 127 HOH HOH B . 
D 3 HOH 15  215 69  HOH HOH B . 
# 
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 LYS 31  ? CG  ? A LYS 4   CG  
2  1 Y 1 A LYS 31  ? CD  ? A LYS 4   CD  
3  1 Y 1 A LYS 31  ? CE  ? A LYS 4   CE  
4  1 Y 1 A LYS 31  ? NZ  ? A LYS 4   NZ  
5  1 Y 1 A LYS 53  ? CG  ? A LYS 26  CG  
6  1 Y 1 A LYS 53  ? CD  ? A LYS 26  CD  
7  1 Y 1 A LYS 53  ? CE  ? A LYS 26  CE  
8  1 Y 1 A LYS 53  ? NZ  ? A LYS 26  NZ  
9  1 Y 1 A GLU 145 ? CG  ? A GLU 118 CG  
10 1 Y 1 A GLU 145 ? CD  ? A GLU 118 CD  
11 1 Y 1 A GLU 145 ? OE1 ? A GLU 118 OE1 
12 1 Y 1 A GLU 145 ? OE2 ? A GLU 118 OE2 
13 1 Y 1 A GLU 160 ? CG  ? A GLU 133 CG  
14 1 Y 1 A GLU 160 ? CD  ? A GLU 133 CD  
15 1 Y 1 A GLU 160 ? OE1 ? A GLU 133 OE1 
16 1 Y 1 A GLU 160 ? OE2 ? A GLU 133 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       ? ? ? ? ? ? ? ? ? ? ? PHENIX   ? ? ? 1.20.1_4487 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? autoPROC ? ? ? .           2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? autoPROC ? ? ? .           3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHENIX   ? ? ? .           4 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9HFW 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     53.039 
_cell.length_a_esd                 ? 
_cell.length_b                     54.282 
_cell.length_b_esd                 ? 
_cell.length_c                     45.881 
_cell.length_c_esd                 ? 
_cell.volume                       132094.289 
_cell.volume_esd                   ? 
_cell.Z_PDB                        4 
_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                         9HFW 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                18 
_symmetry.space_group_name_Hall            'P 2 2ab' 
_symmetry.space_group_name_H-M             'P 21 21 2' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   9HFW 
_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             1.85 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          33.41 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    
;12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 12.5% v/v MPD, 0.03 M sodium fluoride, 0.03 M sodium bromide, 0.03 M sodium iodide, 0.1 M bicine/Trizma base pH 8.5
;
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            291 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS EIGER2 X CdTe 9M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-12-10 
_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   0.6199 
_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                        'DIAMOND BEAMLINE I24' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.6199 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   I24 
_diffrn_source.pdbx_synchrotron_site       Diamond 
# 
_reflns.B_iso_Wilson_estimate                          13.85 
_reflns.entry_id                                       9HFW 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.70 
_reflns.d_resolution_low                               45.88 
_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                                     15071 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           99.7 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                2.0 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          11.6 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                ? 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   1.0 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              ? 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.70 
_reflns_shell.d_res_low                                     1.76 
_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                             1420 
_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                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.80 
_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               ? 
# 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               18.72 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.details                                  ? 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 9HFW 
_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                            1.70 
_refine.ls_d_res_low                             45.88 
_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                     15067 
_refine.ls_number_reflns_R_free                  808 
_refine.ls_number_reflns_R_work                  14259 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.66 
_refine.ls_percent_reflns_R_free                 5.36 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1803 
_refine.ls_R_factor_R_free                       0.2233 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1779 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'FLAT BULK SOLVENT MODEL' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          1.36 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       'GeoStd + Monomer Library + CDL v1.2' 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.1000 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.9000 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 19.7419 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             ? 
_refine.overall_SU_ML                            0.1710 
_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                       1.70 
_refine_hist.d_res_low                        45.88 
_refine_hist.number_atoms_solvent             132 
_refine_hist.number_atoms_total               1316 
_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        1184 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         0 
_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' ? 0.0120 ? 1235 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 1.1239 ? 1668 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0630 ? 184  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0097 ? 212  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 6.2668 ? 167  ? f_dihedral_angle_d ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 1.70 1.81  . . 144 2281 98.18  . . . . 0.2211 . . . . . . . . . . . 0.2648 
'X-RAY DIFFRACTION' 1.81 1.95  . . 137 2324 100.00 . . . . 0.1804 . . . . . . . . . . . 0.2173 
'X-RAY DIFFRACTION' 1.95 2.14  . . 130 2346 100.00 . . . . 0.1789 . . . . . . . . . . . 0.2132 
'X-RAY DIFFRACTION' 2.14 2.45  . . 128 2391 100.00 . . . . 0.1675 . . . . . . . . . . . 0.2276 
'X-RAY DIFFRACTION' 2.45 3.09  . . 146 2379 99.92  . . . . 0.1863 . . . . . . . . . . . 0.2376 
'X-RAY DIFFRACTION' 3.09 45.88 . . 123 2538 99.81  . . . . 0.1687 . . . . . . . . . . . 0.2064 
# 
_struct.entry_id                     9HFW 
_struct.title                        'SRC-3 (NCoA-3) peptide bound to SPOP MATH domain' 
_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        9HFW 
_struct_keywords.text            'Ubiquitination, Ligase, Complex, Degradation' 
_struct_keywords.pdbx_keywords   LIGASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 3 ? 
# 
loop_
_struct_ref.id 
_struct_ref.db_name 
_struct_ref.db_code 
_struct_ref.pdbx_db_accession 
_struct_ref.pdbx_db_isoform 
_struct_ref.entity_id 
_struct_ref.pdbx_seq_one_letter_code 
_struct_ref.pdbx_align_begin 
1 UNP D6RDG8_HUMAN D6RDG8 ? 1 
;KVVKFSYMWTINNFSFCREEMGEVIKSSTFSSGANDKLKWCLRVNPKGLDEESKDYLSLYLLLVSCPKSEVRAKFKFSIL
NAKGEETKAMESQRAYRFVQGKDWGFKKFIRRDFLLDEANGLLPDDKLTLFCEVSVVQD
;
28 
2 UNP NCOA3_HUMAN  Q9Y6Q9 ? 2 NDDDVQKADVSSTGQGV 91 
# 
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 9HFW A 1 ? 139 ? D6RDG8 28 ? 166 ? 28 166 
2 2 9HFW B 1 ? 17  ? Q9Y6Q9 91 ? 107 ? 91 107 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   dimeric 
_pdbx_struct_assembly.oligomeric_count     2 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 1340 ? 
1 MORE         -7   ? 
1 'SSA (A^2)'  7840 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'assay for oligomerization' 
_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 ASN A 13  ? CYS A 17  ? ASN A 40  CYS A 44  5 ? 5 
HELX_P HELX_P2 AA2 ASP A 50  ? LYS A 54  ? ASP A 77  LYS A 81  5 ? 5 
HELX_P HELX_P3 AA3 ARG A 112 ? LEU A 116 ? ARG A 139 LEU A 143 1 ? 5 
HELX_P HELX_P4 AA4 ASP A 117 ? GLY A 121 ? ASP A 144 GLY A 148 5 ? 5 
HELX_P HELX_P5 AA5 LEU A 123 ? LYS A 127 ? LEU A 150 LYS A 154 5 ? 5 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 4 ? 
AA2 ? 4 ? 
AA3 ? 4 ? 
# 
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 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA3 1 2 ? anti-parallel 
AA3 2 3 ? anti-parallel 
AA3 3 4 ? 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 LYS A 4   ? ILE A 11  ? LYS A 31  ILE A 38  
AA1 2 LEU A 128 ? VAL A 136 ? LEU A 155 VAL A 163 
AA1 3 VAL A 71  ? LEU A 80  ? VAL A 98  LEU A 107 
AA1 4 GLU A 86  ? GLU A 91  ? GLU A 113 GLU A 118 
AA2 1 LYS A 4   ? ILE A 11  ? LYS A 31  ILE A 38  
AA2 2 LEU A 128 ? VAL A 136 ? LEU A 155 VAL A 163 
AA2 3 VAL A 71  ? LEU A 80  ? VAL A 98  LEU A 107 
AA2 4 TYR A 96  ? PHE A 98  ? TYR A 123 PHE A 125 
AA3 1 ILE A 25  ? LYS A 26  ? ILE A 52  LYS A 53  
AA3 2 LYS A 39  ? ASN A 45  ? LYS A 66  ASN A 72  
AA3 3 TYR A 56  ? SER A 65  ? TYR A 83  SER A 92  
AA3 4 ASP A 103 ? ARG A 111 ? ASP A 130 ARG A 138 
# 
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 ILE A 11  ? N ILE A 38  O LEU A 128 ? O LEU A 155 
AA1 2 3 O SER A 135 ? O SER A 162 N LYS A 74  ? N LYS A 101 
AA1 3 4 N ILE A 79  ? N ILE A 106 O THR A 87  ? O THR A 114 
AA2 1 2 N ILE A 11  ? N ILE A 38  O LEU A 128 ? O LEU A 155 
AA2 2 3 O SER A 135 ? O SER A 162 N LYS A 74  ? N LYS A 101 
AA2 3 4 N VAL A 71  ? N VAL A 98  O PHE A 98  ? O PHE A 125 
AA3 1 2 N ILE A 25  ? N ILE A 52  O VAL A 44  ? O VAL A 71  
AA3 2 3 N CYS A 41  ? N CYS A 68  O LEU A 62  ? O LEU A 89  
AA3 3 4 N LEU A 61  ? N LEU A 88  O TRP A 104 ? O TRP A 131 
# 
_pdbx_entry_details.entry_id                   9HFW 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_ligand_of_interest     ? 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_rmsd_bond.id                        1 
_pdbx_validate_rmsd_bond.PDB_model_num             1 
_pdbx_validate_rmsd_bond.auth_atom_id_1            CB 
_pdbx_validate_rmsd_bond.auth_asym_id_1            A 
_pdbx_validate_rmsd_bond.auth_comp_id_1            CYS 
_pdbx_validate_rmsd_bond.auth_seq_id_1             44 
_pdbx_validate_rmsd_bond.PDB_ins_code_1            ? 
_pdbx_validate_rmsd_bond.label_alt_id_1            ? 
_pdbx_validate_rmsd_bond.auth_atom_id_2            SG 
_pdbx_validate_rmsd_bond.auth_asym_id_2            A 
_pdbx_validate_rmsd_bond.auth_comp_id_2            CYS 
_pdbx_validate_rmsd_bond.auth_seq_id_2             44 
_pdbx_validate_rmsd_bond.PDB_ins_code_2            ? 
_pdbx_validate_rmsd_bond.label_alt_id_2            ? 
_pdbx_validate_rmsd_bond.bond_value                1.688 
_pdbx_validate_rmsd_bond.bond_target_value         1.812 
_pdbx_validate_rmsd_bond.bond_deviation            -0.124 
_pdbx_validate_rmsd_bond.bond_standard_deviation   0.016 
_pdbx_validate_rmsd_bond.linker_flag               N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ALA A 61  ? ? -100.28 -162.87 
2 1 LYS A 95  ? ? -119.02 -135.25 
3 1 LYS A 135 ? ? -119.93 66.25   
# 
loop_
_pdbx_struct_special_symmetry.id 
_pdbx_struct_special_symmetry.PDB_model_num 
_pdbx_struct_special_symmetry.auth_asym_id 
_pdbx_struct_special_symmetry.auth_comp_id 
_pdbx_struct_special_symmetry.auth_seq_id 
_pdbx_struct_special_symmetry.PDB_ins_code 
_pdbx_struct_special_symmetry.label_asym_id 
_pdbx_struct_special_symmetry.label_comp_id 
_pdbx_struct_special_symmetry.label_seq_id 
1 1 A HOH 244 ? C HOH . 
2 1 A HOH 283 ? C HOH . 
# 
loop_
_space_group_symop.id 
_space_group_symop.operation_xyz 
1 x,y,z           
2 x+1/2,-y+1/2,-z 
3 -x+1/2,y+1/2,-z 
4 -x,-y,z         
# 
loop_
_pdbx_refine_tls.id 
_pdbx_refine_tls.pdbx_refine_id 
_pdbx_refine_tls.details 
_pdbx_refine_tls.method 
_pdbx_refine_tls.origin_x 
_pdbx_refine_tls.origin_y 
_pdbx_refine_tls.origin_z 
_pdbx_refine_tls.T[1][1] 
_pdbx_refine_tls.T[1][1]_esd 
_pdbx_refine_tls.T[1][2] 
_pdbx_refine_tls.T[1][2]_esd 
_pdbx_refine_tls.T[1][3] 
_pdbx_refine_tls.T[1][3]_esd 
_pdbx_refine_tls.T[2][2] 
_pdbx_refine_tls.T[2][2]_esd 
_pdbx_refine_tls.T[2][3] 
_pdbx_refine_tls.T[2][3]_esd 
_pdbx_refine_tls.T[3][3] 
_pdbx_refine_tls.T[3][3]_esd 
_pdbx_refine_tls.L[1][1] 
_pdbx_refine_tls.L[1][1]_esd 
_pdbx_refine_tls.L[1][2] 
_pdbx_refine_tls.L[1][2]_esd 
_pdbx_refine_tls.L[1][3] 
_pdbx_refine_tls.L[1][3]_esd 
_pdbx_refine_tls.L[2][2] 
_pdbx_refine_tls.L[2][2]_esd 
_pdbx_refine_tls.L[2][3] 
_pdbx_refine_tls.L[2][3]_esd 
_pdbx_refine_tls.L[3][3] 
_pdbx_refine_tls.L[3][3]_esd 
_pdbx_refine_tls.S[1][1] 
_pdbx_refine_tls.S[1][1]_esd 
_pdbx_refine_tls.S[1][2] 
_pdbx_refine_tls.S[1][2]_esd 
_pdbx_refine_tls.S[1][3] 
_pdbx_refine_tls.S[1][3]_esd 
_pdbx_refine_tls.S[2][1] 
_pdbx_refine_tls.S[2][1]_esd 
_pdbx_refine_tls.S[2][2] 
_pdbx_refine_tls.S[2][2]_esd 
_pdbx_refine_tls.S[2][3] 
_pdbx_refine_tls.S[2][3]_esd 
_pdbx_refine_tls.S[3][1] 
_pdbx_refine_tls.S[3][1]_esd 
_pdbx_refine_tls.S[3][2] 
_pdbx_refine_tls.S[3][2]_esd 
_pdbx_refine_tls.S[3][3] 
_pdbx_refine_tls.S[3][3]_esd 
1  'X-RAY DIFFRACTION' ? refined 3.32085064159 6.69886469262   0.751303950213 0.0798896237109  ? -0.00298100577772 ? 
-0.00843540018388 ? 0.261492689077  ? -0.0494111403663  ? 0.111815076587  ? 1.91923321492 ? -0.0817301284838 ? -2.44522880285  ? 
2.00854664538  ? 0.320501649052  ? 4.2612138046  ? -0.0455305164696  ? 0.755527503517  ? -0.274056689148  ? -0.287457502998   ? 
-0.125156122031   ? 0.0594884276437  ? -0.113998448972  ? -0.215200614769  ? 0.257378870384   ? 
2  'X-RAY DIFFRACTION' ? refined 7.97405029104 -0.244987909479 18.9921567113  0.149267775275   ? 0.0240692054176   ? 
0.0331340790853   ? 0.193029605165  ? 0.0831242246814   ? 0.218944669392  ? 6.41898099836 ? -0.172905826685  ? -0.317105067699 ? 
2.85204899947  ? 0.491552525181  ? 1.82442005905 ? -0.00187801800908 ? -0.836229835328 ? -0.415074748666  ? 0.381961510718    ? 
0.177698870314    ? 0.258682994267   ? 0.0800983567808  ? -0.0480084906204 ? -0.104941267392  ? 
3  'X-RAY DIFFRACTION' ? refined 7.48627084255 -1.22538582657  4.79782225551  0.0491897247447  ? -0.017265653749   ? 
0.00968783128789  ? 0.195666293241  ? -0.0557525596282  ? 0.184989100707  ? 4.3524957265  ? 0.437055492682   ? 2.44043875372   ? 
1.26871091091  ? 1.14372498218   ? 3.32024538126 ? 0.140646896462    ? 0.113346084309  ? -0.485608892277  ? -0.029840728593   ? 
-0.0990785363516  ? 0.190244417821   ? 0.3242165815     ? -0.57449205238   ? -0.357244816396  ? 
4  'X-RAY DIFFRACTION' ? refined 7.96086251812 1.14212706372   -4.3716407539  0.114169872862   ? 0.0353783723006   ? 
-0.0121007507418  ? 0.191696646845  ? -0.0469976189008  ? 0.123214607663  ? 2.36284670085 ? 0.750241238925   ? 1.81460785633   ? 
2.70821016264  ? 0.985443046091  ? 2.57243304818 ? 0.120848575528    ? 0.155463120754  ? -0.176630549551  ? -0.427698990433   ? 
-0.00936671180967 ? 0.16728104256    ? 0.00308735002169 ? -0.512762108407  ? -0.0182188845144 ? 
5  'X-RAY DIFFRACTION' ? refined 19.1258916005 4.33259562978   16.4360989287  0.0828207939529  ? 0.0324633341886   ? 
-0.00403315249342 ? 0.134032960223  ? 0.0178565618081   ? 0.07523204312   ? 7.29469139982 ? 0.123961342253   ? 3.09108928665   ? 
5.81279376729  ? 2.44784646079   ? 7.7549934664  ? -0.098632130365   ? -0.356752137522 ? -0.225435090668  ? 0.111312629811    ? 
0.173332871833    ? -0.333824669693  ? 0.111342986242   ? 0.240280705083   ? -0.02119882476   ? 
6  'X-RAY DIFFRACTION' ? refined 14.2787181027 -0.155369281318 -4.83542006651 0.0325333102342  ? 0.00979632170947  ? 
0.0333950328181   ? 0.125301185722  ? -0.0199091085686  ? 0.0710901154962 ? 1.34010092517 ? 0.0770408077486  ? 0.810135170759  ? 
5.13755486876  ? -1.33758383027  ? 2.62164747355 ? 0.0330736475606   ? 0.117118804613  ? -0.139451821227  ? -0.89614425464    ? 
-0.0399144721443  ? -0.243852826038  ? 0.13897981902    ? 0.276301125147   ? -0.365983347197  ? 
7  'X-RAY DIFFRACTION' ? refined 13.0322567481 10.4923010669   -2.20934558064 0.0878343618672  ? 0.0081727059418   ? 
-0.00704384030395 ? 0.0876592787665 ? -0.00630532994233 ? 0.0522226582356 ? 6.3524145148  ? -2.46866950597   ? -4.27262336226  ? 
4.55551546712  ? 3.20095505672   ? 3.93112054627 ? 0.149634722401    ? 0.178058049792  ? 0.289177818889   ? -0.401741834323   ? 
0.0269153282183   ? -0.194139988488  ? -0.288873328852  ? 0.0573504565067  ? -0.247566034141  ? 
8  'X-RAY DIFFRACTION' ? refined 3.3042835648  18.6337413845   9.84187318044  0.126045141047   ? 0.0351680480591   ? 
-0.020269385186   ? 0.109673163395  ? -0.0011526457888  ? 0.116153744617  ? 2.87816099337 ? -0.877981365388  ? -4.31394232672  ? 
4.15905636543  ? 0.335513422644  ? 7.07667854067 ? 0.0466870468866   ? -0.142477958353 ? 0.281824460301   ? -0.121944512302   ? 
0.109277245012    ? 0.340128510138   ? -0.518338281852  ? -0.275982184626  ? -0.159071859806  ? 
9  'X-RAY DIFFRACTION' ? refined 18.6344003711 7.05781696574   -3.81999378377 0.0834532564255  ? 0.017498082383    ? 
0.0370971746726   ? 0.115068469056  ? 0.000189451680284 ? 0.0707706868068 ? 3.13033186755 ? 0.688951378568   ? -0.738146906869 ? 
0.821695127893 ? 0.0340313481827 ? 4.30321636305 ? 0.174439306256    ? 0.129728352792  ? -0.0139537915147 ? -0.450861405135   ? 
-0.142480118489   ? -0.39332784697   ? -0.3296933195    ? 0.209274692039   ? -0.1050208644    ? 
10 'X-RAY DIFFRACTION' ? refined 13.7184442476 11.0049313448   13.9133271686  0.0563013930616  ? 0.00152880132157  ? 
-0.00457311163702 ? 0.0951654324664 ? 0.0172600304762   ? 0.0624065333257 ? 2.36686374272 ? -1.59265022188   ? -1.2422995541   ? 
2.87976244271  ? 1.44743248675   ? 2.59093687386 ? -0.189522287009   ? -0.270932026436 ? -0.017121408219  ? 0.316605078465    ? 
0.166866648693    ? -0.0157808035228 ? 0.0245095530871  ? 0.251534029879   ? 0.0552417385082  ? 
11 'X-RAY DIFFRACTION' ? refined 4.3393501679  10.1936862766   7.00321203559  0.00801107422155 ? 0.000786730777792 ? 
-0.0377285974285  ? 0.0837746992283 ? -0.0121456255986  ? 0.089944675599  ? 1.32594442898 ? -0.807135867299  ? -1.64781612737  ? 
2.66755797436  ? 1.72528986348   ? 8.04422968741 ? -0.0684276716454  ? 0.0936121695631 ? -0.0934361006091 ? -0.00395739020368 ? 
0.0349839770801   ? 0.183847683234   ? 0.0755194656426  ? -0.134738554721  ? -0.02956661718   ? 
12 'X-RAY DIFFRACTION' ? refined 21.7387979051 11.7611256745   10.8398775085  0.130404765291   ? -0.0199373961562  ? 
-0.0551907164539  ? 0.228369798579  ? -0.0302637261696  ? 0.172370974082  ? 1.66807969535 ? 0.643526308632   ? -0.584251316731 ? 
3.29671928333  ? 1.54036299949   ? 3.8473503088  ? 0.0185334457666   ? -0.259706619504 ? 0.113792824383   ? 0.448241040981    ? 
0.385829758201    ? -0.709805958771  ? -0.0716073725937 ? 0.677498405541   ? -0.414167495738  ? 
# 
loop_
_pdbx_refine_tls_group.id 
_pdbx_refine_tls_group.pdbx_refine_id 
_pdbx_refine_tls_group.refine_tls_id 
_pdbx_refine_tls_group.beg_label_asym_id 
_pdbx_refine_tls_group.beg_label_seq_id 
_pdbx_refine_tls_group.beg_auth_asym_id 
_pdbx_refine_tls_group.beg_auth_seq_id 
_pdbx_refine_tls_group.beg_PDB_ins_code 
_pdbx_refine_tls_group.end_label_asym_id 
_pdbx_refine_tls_group.end_label_seq_id 
_pdbx_refine_tls_group.end_auth_asym_id 
_pdbx_refine_tls_group.end_auth_seq_id 
_pdbx_refine_tls_group.end_PDB_ins_code 
_pdbx_refine_tls_group.selection 
_pdbx_refine_tls_group.selection_details 
1  'X-RAY DIFFRACTION' 1  A 1   A 30  ? A 9   A 38  ? ? 
;chain 'A' and (resid 30 through 38 )
;
2  'X-RAY DIFFRACTION' 2  A 10  A 39  ? A 19  A 48  ? ? 
;chain 'A' and (resid 39 through 48 )
;
3  'X-RAY DIFFRACTION' 3  A 20  A 49  ? A 29  A 58  ? ? 
;chain 'A' and (resid 49 through 58 )
;
4  'X-RAY DIFFRACTION' 4  A 30  A 59  ? A 43  A 72  ? ? 
;chain 'A' and (resid 59 through 72 )
;
5  'X-RAY DIFFRACTION' 5  A 44  A 73  ? A 55  A 84  ? ? 
;chain 'A' and (resid 73 through 84 )
;
6  'X-RAY DIFFRACTION' 6  A 56  A 85  ? A 68  A 97  ? ? 
;chain 'A' and (resid 85 through 97 )
;
7  'X-RAY DIFFRACTION' 7  A 69  A 98  ? A 77  A 106 ? ? 
;chain 'A' and (resid 98 through 106 )
;
8  'X-RAY DIFFRACTION' 8  A 78  A 107 ? A 87  A 116 ? ? 
;chain 'A' and (resid 107 through 116 )
;
9  'X-RAY DIFFRACTION' 9  A 88  A 117 ? A 100 A 129 ? ? 
;chain 'A' and (resid 117 through 129 )
;
10 'X-RAY DIFFRACTION' 10 A 101 A 130 ? A 118 A 147 ? ? 
;chain 'A' and (resid 130 through 147 )
;
11 'X-RAY DIFFRACTION' 11 A 119 A 148 ? A 135 A 164 ? ? 
;chain 'A' and (resid 148 through 164 )
;
12 'X-RAY DIFFRACTION' 12 B 1   B 91  ? B 14  B 104 ? ? 
;chain 'B' and (resid 91 through 104 )
;
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1 1 Y 1 A LYS 28  ? A LYS 1   
2 1 Y 1 A VAL 29  ? A VAL 2   
3 1 Y 1 A GLN 165 ? A GLN 138 
4 1 Y 1 A ASP 166 ? A ASP 139 
5 1 Y 1 B GLN 105 ? B GLN 15  
6 1 Y 1 B GLY 106 ? B GLY 16  
7 1 Y 1 B VAL 107 ? B VAL 17  
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N N N 1   
ALA CA   C N S 2   
ALA C    C N N 3   
ALA O    O N N 4   
ALA CB   C N N 5   
ALA OXT  O N N 6   
ALA H    H N N 7   
ALA H2   H N N 8   
ALA HA   H N N 9   
ALA HB1  H N N 10  
ALA HB2  H N N 11  
ALA HB3  H N N 12  
ALA HXT  H N N 13  
ARG N    N N N 14  
ARG CA   C N S 15  
ARG C    C N N 16  
ARG O    O N N 17  
ARG CB   C N N 18  
ARG CG   C N N 19  
ARG CD   C N N 20  
ARG NE   N N N 21  
ARG CZ   C N N 22  
ARG NH1  N N N 23  
ARG NH2  N N N 24  
ARG OXT  O N N 25  
ARG H    H N N 26  
ARG H2   H N N 27  
ARG HA   H N N 28  
ARG HB2  H N N 29  
ARG HB3  H N N 30  
ARG HG2  H N N 31  
ARG HG3  H N N 32  
ARG HD2  H N N 33  
ARG HD3  H N N 34  
ARG HE   H N N 35  
ARG HH11 H N N 36  
ARG HH12 H N N 37  
ARG HH21 H N N 38  
ARG HH22 H N N 39  
ARG HXT  H N N 40  
ASN N    N N N 41  
ASN CA   C N S 42  
ASN C    C N N 43  
ASN O    O N N 44  
ASN CB   C N N 45  
ASN CG   C N N 46  
ASN OD1  O N N 47  
ASN ND2  N N N 48  
ASN OXT  O N N 49  
ASN H    H N N 50  
ASN H2   H N N 51  
ASN HA   H N N 52  
ASN HB2  H N N 53  
ASN HB3  H N N 54  
ASN HD21 H N N 55  
ASN HD22 H N N 56  
ASN HXT  H N N 57  
ASP N    N N N 58  
ASP CA   C N S 59  
ASP C    C N N 60  
ASP O    O N N 61  
ASP CB   C N N 62  
ASP CG   C N N 63  
ASP OD1  O N N 64  
ASP OD2  O N N 65  
ASP OXT  O N N 66  
ASP H    H N N 67  
ASP H2   H N N 68  
ASP HA   H N N 69  
ASP HB2  H N N 70  
ASP HB3  H N N 71  
ASP HD2  H N N 72  
ASP HXT  H N N 73  
CYS N    N N N 74  
CYS CA   C N R 75  
CYS C    C N N 76  
CYS O    O N N 77  
CYS CB   C N N 78  
CYS SG   S N N 79  
CYS OXT  O N N 80  
CYS H    H N N 81  
CYS H2   H N N 82  
CYS HA   H N N 83  
CYS HB2  H N N 84  
CYS HB3  H N N 85  
CYS HG   H N N 86  
CYS HXT  H N N 87  
GLN N    N N N 88  
GLN CA   C N S 89  
GLN C    C N N 90  
GLN O    O N N 91  
GLN CB   C N N 92  
GLN CG   C N N 93  
GLN CD   C N N 94  
GLN OE1  O N N 95  
GLN NE2  N N N 96  
GLN OXT  O N N 97  
GLN H    H N N 98  
GLN H2   H N N 99  
GLN HA   H N N 100 
GLN HB2  H N N 101 
GLN HB3  H N N 102 
GLN HG2  H N N 103 
GLN HG3  H N N 104 
GLN HE21 H N N 105 
GLN HE22 H N N 106 
GLN HXT  H N N 107 
GLU N    N N N 108 
GLU CA   C N S 109 
GLU C    C N N 110 
GLU O    O N N 111 
GLU CB   C N N 112 
GLU CG   C N N 113 
GLU CD   C N N 114 
GLU OE1  O N N 115 
GLU OE2  O N N 116 
GLU OXT  O N N 117 
GLU H    H N N 118 
GLU H2   H N N 119 
GLU HA   H N N 120 
GLU HB2  H N N 121 
GLU HB3  H N N 122 
GLU HG2  H N N 123 
GLU HG3  H N N 124 
GLU HE2  H N N 125 
GLU HXT  H N N 126 
GLY N    N N N 127 
GLY CA   C N N 128 
GLY C    C N N 129 
GLY O    O N N 130 
GLY OXT  O N N 131 
GLY H    H N N 132 
GLY H2   H N N 133 
GLY HA2  H N N 134 
GLY HA3  H N N 135 
GLY HXT  H N N 136 
HOH O    O N N 137 
HOH H1   H N N 138 
HOH H2   H N N 139 
ILE N    N N N 140 
ILE CA   C N S 141 
ILE C    C N N 142 
ILE O    O N N 143 
ILE CB   C N S 144 
ILE CG1  C N N 145 
ILE CG2  C N N 146 
ILE CD1  C N N 147 
ILE OXT  O N N 148 
ILE H    H N N 149 
ILE H2   H N N 150 
ILE HA   H N N 151 
ILE HB   H N N 152 
ILE HG12 H N N 153 
ILE HG13 H N N 154 
ILE HG21 H N N 155 
ILE HG22 H N N 156 
ILE HG23 H N N 157 
ILE HD11 H N N 158 
ILE HD12 H N N 159 
ILE HD13 H N N 160 
ILE HXT  H N N 161 
LEU N    N N N 162 
LEU CA   C N S 163 
LEU C    C N N 164 
LEU O    O N N 165 
LEU CB   C N N 166 
LEU CG   C N N 167 
LEU CD1  C N N 168 
LEU CD2  C N N 169 
LEU OXT  O N N 170 
LEU H    H N N 171 
LEU H2   H N N 172 
LEU HA   H N N 173 
LEU HB2  H N N 174 
LEU HB3  H N N 175 
LEU HG   H N N 176 
LEU HD11 H N N 177 
LEU HD12 H N N 178 
LEU HD13 H N N 179 
LEU HD21 H N N 180 
LEU HD22 H N N 181 
LEU HD23 H N N 182 
LEU HXT  H N N 183 
LYS N    N N N 184 
LYS CA   C N S 185 
LYS C    C N N 186 
LYS O    O N N 187 
LYS CB   C N N 188 
LYS CG   C N N 189 
LYS CD   C N N 190 
LYS CE   C N N 191 
LYS NZ   N N N 192 
LYS OXT  O N N 193 
LYS H    H N N 194 
LYS H2   H N N 195 
LYS HA   H N N 196 
LYS HB2  H N N 197 
LYS HB3  H N N 198 
LYS HG2  H N N 199 
LYS HG3  H N N 200 
LYS HD2  H N N 201 
LYS HD3  H N N 202 
LYS HE2  H N N 203 
LYS HE3  H N N 204 
LYS HZ1  H N N 205 
LYS HZ2  H N N 206 
LYS HZ3  H N N 207 
LYS HXT  H N N 208 
MET N    N N N 209 
MET CA   C N S 210 
MET C    C N N 211 
MET O    O N N 212 
MET CB   C N N 213 
MET CG   C N N 214 
MET SD   S N N 215 
MET CE   C N N 216 
MET OXT  O N N 217 
MET H    H N N 218 
MET H2   H N N 219 
MET HA   H N N 220 
MET HB2  H N N 221 
MET HB3  H N N 222 
MET HG2  H N N 223 
MET HG3  H N N 224 
MET HE1  H N N 225 
MET HE2  H N N 226 
MET HE3  H N N 227 
MET HXT  H N N 228 
PHE N    N N N 229 
PHE CA   C N S 230 
PHE C    C N N 231 
PHE O    O N N 232 
PHE CB   C N N 233 
PHE CG   C Y N 234 
PHE CD1  C Y N 235 
PHE CD2  C Y N 236 
PHE CE1  C Y N 237 
PHE CE2  C Y N 238 
PHE CZ   C Y N 239 
PHE OXT  O N N 240 
PHE H    H N N 241 
PHE H2   H N N 242 
PHE HA   H N N 243 
PHE HB2  H N N 244 
PHE HB3  H N N 245 
PHE HD1  H N N 246 
PHE HD2  H N N 247 
PHE HE1  H N N 248 
PHE HE2  H N N 249 
PHE HZ   H N N 250 
PHE HXT  H N N 251 
PRO N    N N N 252 
PRO CA   C N S 253 
PRO C    C N N 254 
PRO O    O N N 255 
PRO CB   C N N 256 
PRO CG   C N N 257 
PRO CD   C N N 258 
PRO OXT  O N N 259 
PRO H    H N N 260 
PRO HA   H N N 261 
PRO HB2  H N N 262 
PRO HB3  H N N 263 
PRO HG2  H N N 264 
PRO HG3  H N N 265 
PRO HD2  H N N 266 
PRO HD3  H N N 267 
PRO HXT  H N N 268 
SER N    N N N 269 
SER CA   C N S 270 
SER C    C N N 271 
SER O    O N N 272 
SER CB   C N N 273 
SER OG   O N N 274 
SER OXT  O N N 275 
SER H    H N N 276 
SER H2   H N N 277 
SER HA   H N N 278 
SER HB2  H N N 279 
SER HB3  H N N 280 
SER HG   H N N 281 
SER HXT  H N N 282 
THR N    N N N 283 
THR CA   C N S 284 
THR C    C N N 285 
THR O    O N N 286 
THR CB   C N R 287 
THR OG1  O N N 288 
THR CG2  C N N 289 
THR OXT  O N N 290 
THR H    H N N 291 
THR H2   H N N 292 
THR HA   H N N 293 
THR HB   H N N 294 
THR HG1  H N N 295 
THR HG21 H N N 296 
THR HG22 H N N 297 
THR HG23 H N N 298 
THR HXT  H N N 299 
TRP N    N N N 300 
TRP CA   C N S 301 
TRP C    C N N 302 
TRP O    O N N 303 
TRP CB   C N N 304 
TRP CG   C Y N 305 
TRP CD1  C Y N 306 
TRP CD2  C Y N 307 
TRP NE1  N Y N 308 
TRP CE2  C Y N 309 
TRP CE3  C Y N 310 
TRP CZ2  C Y N 311 
TRP CZ3  C Y N 312 
TRP CH2  C Y N 313 
TRP OXT  O N N 314 
TRP H    H N N 315 
TRP H2   H N N 316 
TRP HA   H N N 317 
TRP HB2  H N N 318 
TRP HB3  H N N 319 
TRP HD1  H N N 320 
TRP HE1  H N N 321 
TRP HE3  H N N 322 
TRP HZ2  H N N 323 
TRP HZ3  H N N 324 
TRP HH2  H N N 325 
TRP HXT  H N N 326 
TYR N    N N N 327 
TYR CA   C N S 328 
TYR C    C N N 329 
TYR O    O N N 330 
TYR CB   C N N 331 
TYR CG   C Y N 332 
TYR CD1  C Y N 333 
TYR CD2  C Y N 334 
TYR CE1  C Y N 335 
TYR CE2  C Y N 336 
TYR CZ   C Y N 337 
TYR OH   O N N 338 
TYR OXT  O N N 339 
TYR H    H N N 340 
TYR H2   H N N 341 
TYR HA   H N N 342 
TYR HB2  H N N 343 
TYR HB3  H N N 344 
TYR HD1  H N N 345 
TYR HD2  H N N 346 
TYR HE1  H N N 347 
TYR HE2  H N N 348 
TYR HH   H N N 349 
TYR HXT  H N N 350 
VAL N    N N N 351 
VAL CA   C N S 352 
VAL C    C N N 353 
VAL O    O N N 354 
VAL CB   C N N 355 
VAL CG1  C N N 356 
VAL CG2  C N N 357 
VAL OXT  O N N 358 
VAL H    H N N 359 
VAL H2   H N N 360 
VAL HA   H N N 361 
VAL HB   H N N 362 
VAL HG11 H N N 363 
VAL HG12 H N N 364 
VAL HG13 H N N 365 
VAL HG21 H N N 366 
VAL HG22 H N N 367 
VAL HG23 H N N 368 
VAL HXT  H N N 369 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
GLN N   CA   sing N N 83  
GLN N   H    sing N N 84  
GLN N   H2   sing N N 85  
GLN CA  C    sing N N 86  
GLN CA  CB   sing N N 87  
GLN CA  HA   sing N N 88  
GLN C   O    doub N N 89  
GLN C   OXT  sing N N 90  
GLN CB  CG   sing N N 91  
GLN CB  HB2  sing N N 92  
GLN CB  HB3  sing N N 93  
GLN CG  CD   sing N N 94  
GLN CG  HG2  sing N N 95  
GLN CG  HG3  sing N N 96  
GLN CD  OE1  doub N N 97  
GLN CD  NE2  sing N N 98  
GLN NE2 HE21 sing N N 99  
GLN NE2 HE22 sing N N 100 
GLN OXT HXT  sing N N 101 
GLU N   CA   sing N N 102 
GLU N   H    sing N N 103 
GLU N   H2   sing N N 104 
GLU CA  C    sing N N 105 
GLU CA  CB   sing N N 106 
GLU CA  HA   sing N N 107 
GLU C   O    doub N N 108 
GLU C   OXT  sing N N 109 
GLU CB  CG   sing N N 110 
GLU CB  HB2  sing N N 111 
GLU CB  HB3  sing N N 112 
GLU CG  CD   sing N N 113 
GLU CG  HG2  sing N N 114 
GLU CG  HG3  sing N N 115 
GLU CD  OE1  doub N N 116 
GLU CD  OE2  sing N N 117 
GLU OE2 HE2  sing N N 118 
GLU OXT HXT  sing N N 119 
GLY N   CA   sing N N 120 
GLY N   H    sing N N 121 
GLY N   H2   sing N N 122 
GLY CA  C    sing N N 123 
GLY CA  HA2  sing N N 124 
GLY CA  HA3  sing N N 125 
GLY C   O    doub N N 126 
GLY C   OXT  sing N N 127 
GLY OXT HXT  sing N N 128 
HOH O   H1   sing N N 129 
HOH O   H2   sing N N 130 
ILE N   CA   sing N N 131 
ILE N   H    sing N N 132 
ILE N   H2   sing N N 133 
ILE CA  C    sing N N 134 
ILE CA  CB   sing N N 135 
ILE CA  HA   sing N N 136 
ILE C   O    doub N N 137 
ILE C   OXT  sing N N 138 
ILE CB  CG1  sing N N 139 
ILE CB  CG2  sing N N 140 
ILE CB  HB   sing N N 141 
ILE CG1 CD1  sing N N 142 
ILE CG1 HG12 sing N N 143 
ILE CG1 HG13 sing N N 144 
ILE CG2 HG21 sing N N 145 
ILE CG2 HG22 sing N N 146 
ILE CG2 HG23 sing N N 147 
ILE CD1 HD11 sing N N 148 
ILE CD1 HD12 sing N N 149 
ILE CD1 HD13 sing N N 150 
ILE OXT HXT  sing N N 151 
LEU N   CA   sing N N 152 
LEU N   H    sing N N 153 
LEU N   H2   sing N N 154 
LEU CA  C    sing N N 155 
LEU CA  CB   sing N N 156 
LEU CA  HA   sing N N 157 
LEU C   O    doub N N 158 
LEU C   OXT  sing N N 159 
LEU CB  CG   sing N N 160 
LEU CB  HB2  sing N N 161 
LEU CB  HB3  sing N N 162 
LEU CG  CD1  sing N N 163 
LEU CG  CD2  sing N N 164 
LEU CG  HG   sing N N 165 
LEU CD1 HD11 sing N N 166 
LEU CD1 HD12 sing N N 167 
LEU CD1 HD13 sing N N 168 
LEU CD2 HD21 sing N N 169 
LEU CD2 HD22 sing N N 170 
LEU CD2 HD23 sing N N 171 
LEU OXT HXT  sing N N 172 
LYS N   CA   sing N N 173 
LYS N   H    sing N N 174 
LYS N   H2   sing N N 175 
LYS CA  C    sing N N 176 
LYS CA  CB   sing N N 177 
LYS CA  HA   sing N N 178 
LYS C   O    doub N N 179 
LYS C   OXT  sing N N 180 
LYS CB  CG   sing N N 181 
LYS CB  HB2  sing N N 182 
LYS CB  HB3  sing N N 183 
LYS CG  CD   sing N N 184 
LYS CG  HG2  sing N N 185 
LYS CG  HG3  sing N N 186 
LYS CD  CE   sing N N 187 
LYS CD  HD2  sing N N 188 
LYS CD  HD3  sing N N 189 
LYS CE  NZ   sing N N 190 
LYS CE  HE2  sing N N 191 
LYS CE  HE3  sing N N 192 
LYS NZ  HZ1  sing N N 193 
LYS NZ  HZ2  sing N N 194 
LYS NZ  HZ3  sing N N 195 
LYS OXT HXT  sing N N 196 
MET N   CA   sing N N 197 
MET N   H    sing N N 198 
MET N   H2   sing N N 199 
MET CA  C    sing N N 200 
MET CA  CB   sing N N 201 
MET CA  HA   sing N N 202 
MET C   O    doub N N 203 
MET C   OXT  sing N N 204 
MET CB  CG   sing N N 205 
MET CB  HB2  sing N N 206 
MET CB  HB3  sing N N 207 
MET CG  SD   sing N N 208 
MET CG  HG2  sing N N 209 
MET CG  HG3  sing N N 210 
MET SD  CE   sing N N 211 
MET CE  HE1  sing N N 212 
MET CE  HE2  sing N N 213 
MET CE  HE3  sing N N 214 
MET OXT HXT  sing N N 215 
PHE N   CA   sing N N 216 
PHE N   H    sing N N 217 
PHE N   H2   sing N N 218 
PHE CA  C    sing N N 219 
PHE CA  CB   sing N N 220 
PHE CA  HA   sing N N 221 
PHE C   O    doub N N 222 
PHE C   OXT  sing N N 223 
PHE CB  CG   sing N N 224 
PHE CB  HB2  sing N N 225 
PHE CB  HB3  sing N N 226 
PHE CG  CD1  doub Y N 227 
PHE CG  CD2  sing Y N 228 
PHE CD1 CE1  sing Y N 229 
PHE CD1 HD1  sing N N 230 
PHE CD2 CE2  doub Y N 231 
PHE CD2 HD2  sing N N 232 
PHE CE1 CZ   doub Y N 233 
PHE CE1 HE1  sing N N 234 
PHE CE2 CZ   sing Y N 235 
PHE CE2 HE2  sing N N 236 
PHE CZ  HZ   sing N N 237 
PHE OXT HXT  sing N N 238 
PRO N   CA   sing N N 239 
PRO N   CD   sing N N 240 
PRO N   H    sing N N 241 
PRO CA  C    sing N N 242 
PRO CA  CB   sing N N 243 
PRO CA  HA   sing N N 244 
PRO C   O    doub N N 245 
PRO C   OXT  sing N N 246 
PRO CB  CG   sing N N 247 
PRO CB  HB2  sing N N 248 
PRO CB  HB3  sing N N 249 
PRO CG  CD   sing N N 250 
PRO CG  HG2  sing N N 251 
PRO CG  HG3  sing N N 252 
PRO CD  HD2  sing N N 253 
PRO CD  HD3  sing N N 254 
PRO OXT HXT  sing N N 255 
SER N   CA   sing N N 256 
SER N   H    sing N N 257 
SER N   H2   sing N N 258 
SER CA  C    sing N N 259 
SER CA  CB   sing N N 260 
SER CA  HA   sing N N 261 
SER C   O    doub N N 262 
SER C   OXT  sing N N 263 
SER CB  OG   sing N N 264 
SER CB  HB2  sing N N 265 
SER CB  HB3  sing N N 266 
SER OG  HG   sing N N 267 
SER OXT HXT  sing N N 268 
THR N   CA   sing N N 269 
THR N   H    sing N N 270 
THR N   H2   sing N N 271 
THR CA  C    sing N N 272 
THR CA  CB   sing N N 273 
THR CA  HA   sing N N 274 
THR C   O    doub N N 275 
THR C   OXT  sing N N 276 
THR CB  OG1  sing N N 277 
THR CB  CG2  sing N N 278 
THR CB  HB   sing N N 279 
THR OG1 HG1  sing N N 280 
THR CG2 HG21 sing N N 281 
THR CG2 HG22 sing N N 282 
THR CG2 HG23 sing N N 283 
THR OXT HXT  sing N N 284 
TRP N   CA   sing N N 285 
TRP N   H    sing N N 286 
TRP N   H2   sing N N 287 
TRP CA  C    sing N N 288 
TRP CA  CB   sing N N 289 
TRP CA  HA   sing N N 290 
TRP C   O    doub N N 291 
TRP C   OXT  sing N N 292 
TRP CB  CG   sing N N 293 
TRP CB  HB2  sing N N 294 
TRP CB  HB3  sing N N 295 
TRP CG  CD1  doub Y N 296 
TRP CG  CD2  sing Y N 297 
TRP CD1 NE1  sing Y N 298 
TRP CD1 HD1  sing N N 299 
TRP CD2 CE2  doub Y N 300 
TRP CD2 CE3  sing Y N 301 
TRP NE1 CE2  sing Y N 302 
TRP NE1 HE1  sing N N 303 
TRP CE2 CZ2  sing Y N 304 
TRP CE3 CZ3  doub Y N 305 
TRP CE3 HE3  sing N N 306 
TRP CZ2 CH2  doub Y N 307 
TRP CZ2 HZ2  sing N N 308 
TRP CZ3 CH2  sing Y N 309 
TRP CZ3 HZ3  sing N N 310 
TRP CH2 HH2  sing N N 311 
TRP OXT HXT  sing N N 312 
TYR N   CA   sing N N 313 
TYR N   H    sing N N 314 
TYR N   H2   sing N N 315 
TYR CA  C    sing N N 316 
TYR CA  CB   sing N N 317 
TYR CA  HA   sing N N 318 
TYR C   O    doub N N 319 
TYR C   OXT  sing N N 320 
TYR CB  CG   sing N N 321 
TYR CB  HB2  sing N N 322 
TYR CB  HB3  sing N N 323 
TYR CG  CD1  doub Y N 324 
TYR CG  CD2  sing Y N 325 
TYR CD1 CE1  sing Y N 326 
TYR CD1 HD1  sing N N 327 
TYR CD2 CE2  doub Y N 328 
TYR CD2 HD2  sing N N 329 
TYR CE1 CZ   doub Y N 330 
TYR CE1 HE1  sing N N 331 
TYR CE2 CZ   sing Y N 332 
TYR CE2 HE2  sing N N 333 
TYR CZ  OH   sing N N 334 
TYR OH  HH   sing N N 335 
TYR OXT HXT  sing N N 336 
VAL N   CA   sing N N 337 
VAL N   H    sing N N 338 
VAL N   H2   sing N N 339 
VAL CA  C    sing N N 340 
VAL CA  CB   sing N N 341 
VAL CA  HA   sing N N 342 
VAL C   O    doub N N 343 
VAL C   OXT  sing N N 344 
VAL CB  CG1  sing N N 345 
VAL CB  CG2  sing N N 346 
VAL CB  HB   sing N N 347 
VAL CG1 HG11 sing N N 348 
VAL CG1 HG12 sing N N 349 
VAL CG1 HG13 sing N N 350 
VAL CG2 HG21 sing N N 351 
VAL CG2 HG22 sing N N 352 
VAL CG2 HG23 sing N N 353 
VAL OXT HXT  sing N N 354 
# 
loop_
_pdbx_audit_support.funding_organization 
_pdbx_audit_support.country 
_pdbx_audit_support.grant_number 
_pdbx_audit_support.ordinal 
'Wellcome Trust'                                                    'United Kingdom' 222372/Z/21/Z   1 
'Wellcome Trust'                                                    'United Kingdom' 222531/Z/21/Z   2 
'National Institutes of Health/National Cancer Institute (NIH/NCI)' 'United States'  5R01HL159175-04 3 
# 
_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   7kpi 
_pdbx_initial_refinement_model.details          ? 
# 
_space_group.name_H-M_alt     'P 21 21 2' 
_space_group.name_Hall        'P 2 2ab' 
_space_group.IT_number        18 
_space_group.crystal_system   orthorhombic 
_space_group.id               1 
# 
_atom_sites.entry_id                    9HFW 
_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]   0.018854 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.000000 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.018422 
_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]   0.021796 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
_atom_type.scat_dispersion_real 
_atom_type.scat_dispersion_imag 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
_atom_type.scat_source 
_atom_type.scat_dispersion_source 
C ? ? 3.54356 2.42580 ? ? 25.62398 1.50364  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
H ? ? 0.51345 0.48472 ? ? 24.73122 6.32584  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
N ? ? 4.01032 2.96436 ? ? 19.97189 1.75589  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
O ? ? 4.49882 3.47563 ? ? 15.80542 1.70748  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
S ? ? 9.55732 6.39887 ? ? 1.23737  29.19336 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N N    . VAL A 1 3   ? 8.79992  10.81970 -13.48726 1.000 29.58935 ? 30  VAL A N    1 
ATOM   2    C CA   . VAL A 1 3   ? 7.57780  10.19466 -12.98638 1.000 32.14537 ? 30  VAL A CA   1 
ATOM   3    C C    . VAL A 1 3   ? 7.52937  10.36917 -11.47538 1.000 28.10819 ? 30  VAL A C    1 
ATOM   4    O O    . VAL A 1 3   ? 8.48786  9.99286  -10.78964 1.000 25.15142 ? 30  VAL A O    1 
ATOM   5    C CB   . VAL A 1 3   ? 7.50632  8.70242  -13.33370 1.000 29.24436 ? 30  VAL A CB   1 
ATOM   6    C CG1  . VAL A 1 3   ? 6.24421  8.08257  -12.75172 1.000 36.74702 ? 30  VAL A CG1  1 
ATOM   7    C CG2  . VAL A 1 3   ? 7.57953  8.48736  -14.84701 1.000 33.77652 ? 30  VAL A CG2  1 
ATOM   8    H H    . VAL A 1 3   ? 9.49600  10.32079 -13.42386 1.000 35.29145 ? 30  VAL A H    1 
ATOM   9    H HA   . VAL A 1 3   ? 6.81429  10.62419 -13.40287 1.000 38.61760 ? 30  VAL A HA   1 
ATOM   10   H HB   . VAL A 1 3   ? 8.27059  8.25328  -12.93991 1.000 34.87745 ? 30  VAL A HB   1 
ATOM   11   H HG11 . VAL A 1 3   ? 6.20522  7.14744  -13.00647 1.000 44.13957 ? 30  VAL A HG11 1 
ATOM   12   H HG12 . VAL A 1 3   ? 6.27041  8.16131  -11.78527 1.000 44.13957 ? 30  VAL A HG12 1 
ATOM   13   H HG13 . VAL A 1 3   ? 5.47125  8.55309  -13.10109 1.000 44.13957 ? 30  VAL A HG13 1 
ATOM   14   H HG21 . VAL A 1 3   ? 7.51714  7.53768  -15.03440 1.000 40.57497 ? 30  VAL A HG21 1 
ATOM   15   H HG22 . VAL A 1 3   ? 6.84285  8.95681  -15.26870 1.000 40.57497 ? 30  VAL A HG22 1 
ATOM   16   H HG23 . VAL A 1 3   ? 8.42390  8.83443  -15.17482 1.000 40.57497 ? 30  VAL A HG23 1 
ATOM   17   N N    . LYS A 1 4   ? 6.42539  10.90585 -10.95285 1.000 30.25146 ? 31  LYS A N    1 
ATOM   18   C CA   . LYS A 1 4   ? 6.26801  11.11181 -9.51864  1.000 28.58716 ? 31  LYS A CA   1 
ATOM   19   C C    . LYS A 1 4   ? 5.48203  9.97096  -8.87451  1.000 34.16894 ? 31  LYS A C    1 
ATOM   20   O O    . LYS A 1 4   ? 4.59588  9.36397  -9.47983  1.000 32.48129 ? 31  LYS A O    1 
ATOM   21   C CB   . LYS A 1 4   ? 5.56637  12.44134 -9.22659  1.000 32.71147 ? 31  LYS A CB   1 
ATOM   22   H H    . LYS A 1 4   ? 5.74775  11.16054 -11.41711 1.000 36.34491 ? 31  LYS A H    1 
ATOM   23   H HA   . LYS A 1 4   ? 7.14982  11.13064 -9.11495  1.000 34.34774 ? 31  LYS A HA   1 
ATOM   24   N N    . PHE A 1 5   ? 5.83574  9.67360  -7.63765  1.000 28.62502 ? 32  PHE A N    1 
ATOM   25   C CA   . PHE A 1 5   ? 5.10341  8.74620  -6.79013  1.000 27.06752 ? 32  PHE A CA   1 
ATOM   26   C C    . PHE A 1 5   ? 4.85564  9.49415  -5.48357  1.000 18.88386 ? 32  PHE A C    1 
ATOM   27   O O    . PHE A 1 5   ? 5.73181  10.23958 -5.02581  1.000 17.86883 ? 32  PHE A O    1 
ATOM   28   C CB   . PHE A 1 5   ? 5.86028  7.41995  -6.43524  1.000 21.34890 ? 32  PHE A CB   1 
ATOM   29   C CG   . PHE A 1 5   ? 6.41626  6.65997  -7.60278  1.000 26.60868 ? 32  PHE A CG   1 
ATOM   30   C CD1  . PHE A 1 5   ? 7.47814  7.15184  -8.33279  1.000 21.53676 ? 32  PHE A CD1  1 
ATOM   31   C CD2  . PHE A 1 5   ? 5.91136  5.40381  -7.92865  1.000 31.65896 ? 32  PHE A CD2  1 
ATOM   32   C CE1  . PHE A 1 5   ? 8.01040  6.44862  -9.38958  1.000 25.61981 ? 32  PHE A CE1  1 
ATOM   33   C CE2  . PHE A 1 5   ? 6.44010  4.67638  -8.98537  1.000 29.21438 ? 32  PHE A CE2  1 
ATOM   34   C CZ   . PHE A 1 5   ? 7.48703  5.19405  -9.73221  1.000 25.94172 ? 32  PHE A CZ   1 
ATOM   35   H H    . PHE A 1 5   ? 6.52529  10.00941 -7.24861  1.000 34.39318 ? 32  PHE A H    1 
ATOM   36   H HA   . PHE A 1 5   ? 4.29418  8.47619  -7.25181  1.000 32.52418 ? 32  PHE A HA   1 
ATOM   37   H HB2  . PHE A 1 5   ? 6.60468  7.64002  -5.85357  1.000 25.66184 ? 32  PHE A HB2  1 
ATOM   38   H HB3  . PHE A 1 5   ? 5.24272  6.83026  -5.97505  1.000 25.66184 ? 32  PHE A HB3  1 
ATOM   39   H HD1  . PHE A 1 5   ? 7.84255  7.97685  -8.10597  1.000 25.62834 ? 32  PHE A HD1  1 
ATOM   40   H HD2  . PHE A 1 5   ? 5.21062  5.04776  -7.43156  1.000 38.03390 ? 32  PHE A HD2  1 
ATOM   41   H HE1  . PHE A 1 5   ? 8.71757  6.80595  -9.87654  1.000 30.78693 ? 32  PHE A HE1  1 
ATOM   42   H HE2  . PHE A 1 5   ? 6.09135  3.83964  -9.19307  1.000 35.10041 ? 32  PHE A HE2  1 
ATOM   43   H HZ   . PHE A 1 5   ? 7.83677  4.71642  -10.44946 1.000 31.17322 ? 32  PHE A HZ   1 
ATOM   44   N N    . SER A 1 6   ? 3.70880  9.29094  -4.87183  1.000 20.90734 ? 33  SER A N    1 
ATOM   45   C CA   . SER A 1 6   ? 3.44078  9.82061  -3.54332  1.000 21.80417 ? 33  SER A CA   1 
ATOM   46   C C    . SER A 1 6   ? 2.83217  8.70771  -2.70432  1.000 17.35845 ? 33  SER A C    1 
ATOM   47   O O    . SER A 1 6   ? 2.04831  7.90294  -3.21227  1.000 21.96992 ? 33  SER A O    1 
ATOM   48   C CB   . SER A 1 6   ? 2.48728  11.02151 -3.60131  1.000 29.37799 ? 33  SER A CB   1 
ATOM   49   O OG   . SER A 1 6   ? 2.66470  11.83266 -2.45612  1.000 36.50269 ? 33  SER A OG   1 
ATOM   50   H H    . SER A 1 6   ? 3.05618  8.84249  -5.20735  1.000 25.13196 ? 33  SER A H    1 
ATOM   51   H HA   . SER A 1 6   ? 4.26310  10.11996 -3.12489  1.000 26.20816 ? 33  SER A HA   1 
ATOM   52   H HB2  . SER A 1 6   ? 2.67925  11.54389 -4.39577  1.000 35.29674 ? 33  SER A HB2  1 
ATOM   53   H HB3  . SER A 1 6   ? 1.57188  10.70174 -3.62771  1.000 35.29674 ? 33  SER A HB3  1 
ATOM   54   H HG   . SER A 1 6   ? 2.11642  12.46896 -2.46701  1.000 43.84638 ? 33  SER A HG   1 
ATOM   55   N N    . TYR A 1 7   ? 3.18591  8.66292  -1.42303  1.000 14.13047 ? 34  TYR A N    1 
ATOM   56   C CA   . TYR A 1 7   ? 2.68378  7.61284  -0.54564  1.000 13.34934 ? 34  TYR A CA   1 
ATOM   57   C C    . TYR A 1 7   ? 2.53792  8.15773  0.85927   1.000 11.93838 ? 34  TYR A C    1 
ATOM   58   O O    . TYR A 1 7   ? 3.41748  8.86963  1.34563   1.000 11.25567 ? 34  TYR A O    1 
ATOM   59   C CB   . TYR A 1 7   ? 3.63575  6.41685  -0.57230  1.000 13.20374 ? 34  TYR A CB   1 
ATOM   60   C CG   . TYR A 1 7   ? 3.20826  5.27022  0.30478   1.000 12.70105 ? 34  TYR A CG   1 
ATOM   61   C CD1  . TYR A 1 7   ? 2.07467  4.55175  0.02767   1.000 15.06879 ? 34  TYR A CD1  1 
ATOM   62   C CD2  . TYR A 1 7   ? 3.93561  4.94219  1.41080   1.000 13.61945 ? 34  TYR A CD2  1 
ATOM   63   C CE1  . TYR A 1 7   ? 1.69489  3.50365  0.84181   1.000 18.25748 ? 34  TYR A CE1  1 
ATOM   64   C CE2  . TYR A 1 7   ? 3.58324  3.91035  2.22648   1.000 16.66131 ? 34  TYR A CE2  1 
ATOM   65   C CZ   . TYR A 1 7   ? 2.46643  3.19496  1.94022   1.000 17.55055 ? 34  TYR A CZ   1 
ATOM   66   O OH   . TYR A 1 7   ? 2.14105  2.16332  2.78873   1.000 19.33802 ? 34  TYR A OH   1 
ATOM   67   H H    . TYR A 1 7   ? 3.71216  9.22602  -1.04149  1.000 16.74079 ? 34  TYR A H    1 
ATOM   68   H HA   . TYR A 1 7   ? 1.80272  7.32246  -0.82904  1.000 15.80343 ? 34  TYR A HA   1 
ATOM   69   H HB2  . TYR A 1 7   ? 3.69314  6.08603  -1.48233  1.000 15.62872 ? 34  TYR A HB2  1 
ATOM   70   H HB3  . TYR A 1 7   ? 4.50982  6.70906  -0.26978  1.000 15.62872 ? 34  TYR A HB3  1 
ATOM   71   H HD1  . TYR A 1 7   ? 1.55794  4.77169  -0.71362  1.000 18.12570 ? 34  TYR A HD1  1 
ATOM   72   H HD2  . TYR A 1 7   ? 4.69546  5.43836  1.61413   1.000 16.38649 ? 34  TYR A HD2  1 
ATOM   73   H HE1  . TYR A 1 7   ? 0.92843  3.01261  0.65121   1.000 21.95214 ? 34  TYR A HE1  1 
ATOM   74   H HE2  . TYR A 1 7   ? 4.10094  3.69887  2.96956   1.000 20.03673 ? 34  TYR A HE2  1 
ATOM   75   H HH   . TYR A 1 7   ? 1.49408  1.72784  2.47667   1.000 23.24878 ? 34  TYR A HH   1 
ATOM   76   N N    . MET A 1 8   ? 1.42007  7.82618  1.50656   1.000 11.71706 ? 35  MET A N    1 
ATOM   77   C CA   . MET A 1 8   ? 1.19984  8.16108  2.91093   1.000 10.45771 ? 35  MET A CA   1 
ATOM   78   C C    . MET A 1 8   ? 1.07560  6.88121  3.72328   1.000 11.48467 ? 35  MET A C    1 
ATOM   79   O O    . MET A 1 8   ? 0.28310  5.99580  3.38405   1.000 13.27445 ? 35  MET A O    1 
ATOM   80   C CB   . MET A 1 8   ? -0.06850 9.02006  3.09249   1.000 10.86611 ? 35  MET A CB   1 
ATOM   81   C CG   . MET A 1 8   ? -0.38072 9.33422  4.53703   1.000 10.99868 ? 35  MET A CG   1 
ATOM   82   S SD   . MET A 1 8   ? -1.93303 10.20775 4.79178   1.000 16.73377 ? 35  MET A SD   1 
ATOM   83   C CE   . MET A 1 8   ? -3.03176 8.76120  4.70276   1.000 22.65067 ? 35  MET A CE   1 
ATOM   84   H H    . MET A 1 8   ? 0.76567  7.40030  1.14601   1.000 13.84470 ? 35  MET A H    1 
ATOM   85   H HA   . MET A 1 8   ? 1.95954  8.67213  3.23122   1.000 12.33347 ? 35  MET A HA   1 
ATOM   86   H HB2  . MET A 1 8   ? 0.05361  9.86111  2.62492   1.000 12.82356 ? 35  MET A HB2  1 
ATOM   87   H HB3  . MET A 1 8   ? -0.82633 8.54136  2.72176   1.000 12.82356 ? 35  MET A HB3  1 
ATOM   88   H HG2  . MET A 1 8   ? -0.42935 8.50102  5.03131   1.000 13.24157 ? 35  MET A HG2  1 
ATOM   89   H HG3  . MET A 1 8   ? 0.32978  9.89029  4.89324   1.000 13.24157 ? 35  MET A HG3  1 
ATOM   90   H HE1  . MET A 1 8   ? -3.94770 9.05170  4.83525   1.000 27.22396 ? 35  MET A HE1  1 
ATOM   91   H HE2  . MET A 1 8   ? -2.93891 8.34731  3.83042   1.000 27.22396 ? 35  MET A HE2  1 
ATOM   92   H HE3  . MET A 1 8   ? -2.78102 8.13103  5.39625   1.000 27.22396 ? 35  MET A HE3  1 
ATOM   93   N N    . TRP A 1 9   ? 1.86457  6.77538  4.77884   1.000 9.39044  ? 36  TRP A N    1 
ATOM   94   C CA   . TRP A 1 9   ? 1.89122  5.59796  5.64568   1.000 11.69568 ? 36  TRP A CA   1 
ATOM   95   C C    . TRP A 1 9   ? 1.52668  5.98732  7.06639   1.000 10.31715 ? 36  TRP A C    1 
ATOM   96   O O    . TRP A 1 9   ? 2.24808  6.75550  7.69456   1.000 10.16284 ? 36  TRP A O    1 
ATOM   97   C CB   . TRP A 1 9   ? 3.29189  4.98832  5.65792   1.000 13.10164 ? 36  TRP A CB   1 
ATOM   98   C CG   . TRP A 1 9   ? 3.38640  3.71900  6.38322   1.000 16.31164 ? 36  TRP A CG   1 
ATOM   99   C CD1  . TRP A 1 9   ? 2.37291  2.89140  6.72708   1.000 14.86245 ? 36  TRP A CD1  1 
ATOM   100  C CD2  . TRP A 1 9   ? 4.58812  3.08388  6.80668   1.000 14.46219 ? 36  TRP A CD2  1 
ATOM   101  N NE1  . TRP A 1 9   ? 2.86083  1.76896  7.36282   1.000 15.84439 ? 36  TRP A NE1  1 
ATOM   102  C CE2  . TRP A 1 9   ? 4.22240  1.87031  7.42330   1.000 15.14980 ? 36  TRP A CE2  1 
ATOM   103  C CE3  . TRP A 1 9   ? 5.91953  3.42588  6.73383   1.000 12.22632 ? 36  TRP A CE3  1 
ATOM   104  C CZ2  . TRP A 1 9   ? 5.15841  1.00031  7.95666   1.000 20.93310 ? 36  TRP A CZ2  1 
ATOM   105  C CZ3  . TRP A 1 9   ? 6.86720  2.55749  7.25542   1.000 13.76973 ? 36  TRP A CZ3  1 
ATOM   106  C CH2  . TRP A 1 9   ? 6.47301  1.35826  7.86334   1.000 10.66952 ? 36  TRP A CH2  1 
ATOM   107  H H    . TRP A 1 9   ? 2.41320  7.38997  5.02557   1.000 11.31168 ? 36  TRP A H    1 
ATOM   108  H HA   . TRP A 1 9   ? 1.23706  4.96016  5.31982   1.000 14.07797 ? 36  TRP A HA   1 
ATOM   109  H HB2  . TRP A 1 9   ? 3.56761  4.82542  4.74231   1.000 15.76512 ? 36  TRP A HB2  1 
ATOM   110  H HB3  . TRP A 1 9   ? 3.89957  5.61500  6.08088   1.000 15.76512 ? 36  TRP A HB3  1 
ATOM   111  H HD1  . TRP A 1 9   ? 1.47332  3.05627  6.55841   1.000 17.87810 ? 36  TRP A HD1  1 
ATOM   112  H HE1  . TRP A 1 9   ? 2.38962  1.11769  7.66843   1.000 19.05642 ? 36  TRP A HE1  1 
ATOM   113  H HE3  . TRP A 1 9   ? 6.17989  4.22745  6.34064   1.000 14.71474 ? 36  TRP A HE3  1 
ATOM   114  H HZ2  . TRP A 1 9   ? 4.90195  0.20375  8.36238   1.000 25.16288 ? 36  TRP A HZ2  1 
ATOM   115  H HZ3  . TRP A 1 9   ? 7.77031  2.77276  7.20123   1.000 16.56683 ? 36  TRP A HZ3  1 
ATOM   116  H HH2  . TRP A 1 9   ? 7.12293  0.79178  8.21207   1.000 12.84657 ? 36  TRP A HH2  1 
ATOM   117  N N    . THR A 1 10  ? 0.44061  5.42194  7.59917   1.000 9.98059  ? 37  THR A N    1 
ATOM   118  C CA   . THR A 1 10  ? 0.09704  5.66000  9.00184   1.000 7.83851  ? 37  THR A CA   1 
ATOM   119  C C    . THR A 1 10  ? 0.41014  4.41246  9.79581   1.000 13.51358 ? 37  THR A C    1 
ATOM   120  O O    . THR A 1 10  ? -0.09999 3.34008  9.48253   1.000 16.83436 ? 37  THR A O    1 
ATOM   121  C CB   . THR A 1 10  ? -1.37462 6.02695  9.16518   1.000 13.18853 ? 37  THR A CB   1 
ATOM   122  O OG1  . THR A 1 10  ? -1.62214 7.26017  8.49262   1.000 13.76581 ? 37  THR A OG1  1 
ATOM   123  C CG2  . THR A 1 10  ? -1.71261 6.22490  10.63001  1.000 11.75438 ? 37  THR A CG2  1 
ATOM   124  H H    . THR A 1 10  ? -0.10151 4.90654  7.17482   1.000 12.01987 ? 37  THR A H    1 
ATOM   125  H HA   . THR A 1 10  ? 0.63367  6.39512  9.33729   1.000 9.44937  ? 37  THR A HA   1 
ATOM   126  H HB   . THR A 1 10  ? -1.92593 5.31661  8.80137   1.000 15.86939 ? 37  THR A HB   1 
ATOM   127  H HG1  . THR A 1 10  ? -1.08712 7.84800  8.76429   1.000 16.56212 ? 37  THR A HG1  1 
ATOM   128  H HG21 . THR A 1 10  ? -2.53596 6.73061  10.71511  1.000 14.14841 ? 37  THR A HG21 1 
ATOM   129  H HG22 . THR A 1 10  ? -1.82533 5.36459  11.06367  1.000 14.14841 ? 37  THR A HG22 1 
ATOM   130  H HG23 . THR A 1 10  ? -0.99838 6.70942  11.07275  1.000 14.14841 ? 37  THR A HG23 1 
ATOM   131  N N    . ILE A 1 11  ? 1.23420  4.56569  10.80998  1.000 7.57843  ? 38  ILE A N    1 
ATOM   132  C CA   . ILE A 1 11  ? 1.56595  3.50338  11.72732  1.000 6.21015  ? 38  ILE A CA   1 
ATOM   133  C C    . ILE A 1 11  ? 0.75133  3.74589  12.98315  1.000 7.67584  ? 38  ILE A C    1 
ATOM   134  O O    . ILE A 1 11  ? 0.95880  4.73164  13.69198  1.000 9.18359  ? 38  ILE A O    1 
ATOM   135  C CB   . ILE A 1 11  ? 3.05565  3.41816  12.04696  1.000 9.20998  ? 38  ILE A CB   1 
ATOM   136  C CG1  . ILE A 1 11  ? 3.86254  3.29207  10.75112  1.000 16.05430 ? 38  ILE A CG1  1 
ATOM   137  C CG2  . ILE A 1 11  ? 3.29082  2.24277  12.97973  1.000 14.90850 ? 38  ILE A CG2  1 
ATOM   138  C CD1  . ILE A 1 11  ? 5.32540  3.32914  10.95197  1.000 17.11175 ? 38  ILE A CD1  1 
ATOM   139  H H    . ILE A 1 11  ? 1.62923  5.30720  10.99361  1.000 9.13727  ? 38  ILE A H    1 
ATOM   140  H HA   . ILE A 1 11  ? 1.31407  2.65734  11.32526  1.000 7.23641  ? 38  ILE A HA   1 
ATOM   141  H HB   . ILE A 1 11  ? 3.35080  4.22807  12.49172  1.000 11.09513 ? 38  ILE A HB   1 
ATOM   142  H HG12 . ILE A 1 11  ? 3.64349  2.44674  10.32883  1.000 19.30831 ? 38  ILE A HG12 1 
ATOM   143  H HG13 . ILE A 1 11  ? 3.62604  4.02724  10.16419  1.000 19.30831 ? 38  ILE A HG13 1 
ATOM   144  H HG21 . ILE A 1 11  ? 4.24575  2.11623  13.09375  1.000 17.93336 ? 38  ILE A HG21 1 
ATOM   145  H HG22 . ILE A 1 11  ? 2.87758  2.43205  13.83665  1.000 17.93336 ? 38  ILE A HG22 1 
ATOM   146  H HG23 . ILE A 1 11  ? 2.89582  1.44686  12.59062  1.000 17.93336 ? 38  ILE A HG23 1 
ATOM   147  H HD11 . ILE A 1 11  ? 5.75997  3.42985  10.09063  1.000 20.57725 ? 38  ILE A HD11 1 
ATOM   148  H HD12 . ILE A 1 11  ? 5.54669  4.08063  11.52398  1.000 20.57725 ? 38  ILE A HD12 1 
ATOM   149  H HD13 . ILE A 1 11  ? 5.60785  2.50073  11.37012  1.000 20.57725 ? 38  ILE A HD13 1 
ATOM   150  N N    . ASN A 1 12  ? -0.18597 2.85668  13.24396  1.000 16.51506 ? 39  ASN A N    1 
ATOM   151  C CA   . ASN A 1 12  ? -1.05376 3.01928  14.39977  1.000 16.26517 ? 39  ASN A CA   1 
ATOM   152  C C    . ASN A 1 12  ? -0.33651 2.61775  15.68450  1.000 16.20151 ? 39  ASN A C    1 
ATOM   153  O O    . ASN A 1 12  ? 0.56366  1.77193  15.70633  1.000 15.56270 ? 39  ASN A O    1 
ATOM   154  C CB   . ASN A 1 12  ? -2.32513 2.20445  14.18510  1.000 19.88113 ? 39  ASN A CB   1 
ATOM   155  C CG   . ASN A 1 12  ? -3.05325 2.59828  12.92854  1.000 19.65245 ? 39  ASN A CG   1 
ATOM   156  O OD1  . ASN A 1 12  ? -3.85616 3.53476  12.92478  1.000 21.36304 ? 39  ASN A OD1  1 
ATOM   157  N ND2  . ASN A 1 12  ? -2.72425 1.93459  11.82776  1.000 27.36517 ? 39  ASN A ND2  1 
ATOM   158  H H    . ASN A 1 12  ? -0.34167 2.15426  12.77282  1.000 19.86123 ? 39  ASN A H    1 
ATOM   159  H HA   . ASN A 1 12  ? -1.30726 3.94881  14.51206  1.000 19.30243 ? 39  ASN A HA   1 
ATOM   160  H HB2  . ASN A 1 12  ? -2.09254 1.26522  14.11695  1.000 23.90051 ? 39  ASN A HB2  1 
ATOM   161  H HB3  . ASN A 1 12  ? -2.92266 2.34460  14.93625  1.000 23.90051 ? 39  ASN A HB3  1 
ATOM   162  H HD21 . ASN A 1 12  ? -3.11035 2.12033  11.08208  1.000 32.88136 ? 39  ASN A HD21 1 
ATOM   163  H HD22 . ASN A 1 12  ? -2.12490 1.31869  11.85994  1.000 32.88136 ? 39  ASN A HD22 1 
ATOM   164  N N    . ASN A 1 13  ? -0.71734 3.28046  16.76584  1.000 17.22214 ? 40  ASN A N    1 
ATOM   165  C CA   . ASN A 1 13  ? -0.25004 2.90065  18.09084  1.000 20.14434 ? 40  ASN A CA   1 
ATOM   166  C C    . ASN A 1 13  ? 1.26501  2.98764  18.18273  1.000 20.32467 ? 40  ASN A C    1 
ATOM   167  O O    . ASN A 1 13  ? 1.91050  2.15656  18.80973  1.000 17.79306 ? 40  ASN A O    1 
ATOM   168  C CB   . ASN A 1 13  ? -0.74471 1.49872  18.42677  1.000 25.02747 ? 40  ASN A CB   1 
ATOM   169  C CG   . ASN A 1 13  ? -2.23879 1.34276  18.14382  1.000 22.21056 ? 40  ASN A CG   1 
ATOM   170  O OD1  . ASN A 1 13  ? -3.03782 2.08154  18.69519  1.000 29.02619 ? 40  ASN A OD1  1 
ATOM   171  N ND2  . ASN A 1 13  ? -2.60541 0.39898  17.26842  1.000 22.88011 ? 40  ASN A ND2  1 
ATOM   172  H H    . ASN A 1 13  ? -1.24831 3.95694  16.75897  1.000 20.57822 ? 40  ASN A H    1 
ATOM   173  H HA   . ASN A 1 13  ? -0.60405 3.51888  18.74915  1.000 24.21637 ? 40  ASN A HA   1 
ATOM   174  H HB2  . ASN A 1 13  ? -0.26371 0.85181  17.88729  1.000 30.07612 ? 40  ASN A HB2  1 
ATOM   175  H HB3  . ASN A 1 13  ? -0.59346 1.32314  19.36868  1.000 30.07612 ? 40  ASN A HB3  1 
ATOM   176  H HD21 . ASN A 1 13  ? -3.43749 0.28278  17.08472  1.000 27.49929 ? 40  ASN A HD21 1 
ATOM   177  H HD22 . ASN A 1 13  ? -2.00890 -0.09122 16.88964  1.000 27.49929 ? 40  ASN A HD22 1 
ATOM   178  N N    . PHE A 1 14  ? 1.83769  4.00566  17.54256  1.000 15.72786 ? 41  PHE A N    1 
ATOM   179  C CA   . PHE A 1 14  ? 3.28639  4.02622  17.37720  1.000 14.60247 ? 41  PHE A CA   1 
ATOM   180  C C    . PHE A 1 14  ? 4.02676  4.09186  18.71151  1.000 16.56240 ? 41  PHE A C    1 
ATOM   181  O O    . PHE A 1 14  ? 5.12475  3.52684  18.83300  1.000 20.03117 ? 41  PHE A O    1 
ATOM   182  C CB   . PHE A 1 14  ? 3.70499  5.20122  16.50426  1.000 17.09473 ? 41  PHE A CB   1 
ATOM   183  C CG   . PHE A 1 14  ? 5.16838  5.20982  16.22351  1.000 16.78408 ? 41  PHE A CG   1 
ATOM   184  C CD1  . PHE A 1 14  ? 5.66824  4.45156  15.21358  1.000 14.79991 ? 41  PHE A CD1  1 
ATOM   185  C CD2  . PHE A 1 14  ? 6.01945  5.93036  17.02076  1.000 20.82702 ? 41  PHE A CD2  1 
ATOM   186  C CE1  . PHE A 1 14  ? 7.02239  4.42734  14.95599  1.000 19.84695 ? 41  PHE A CE1  1 
ATOM   187  C CE2  . PHE A 1 14  ? 7.38440  5.90100  16.78435  1.000 23.45880 ? 41  PHE A CE2  1 
ATOM   188  C CZ   . PHE A 1 14  ? 7.86469  5.15454  15.74436  1.000 12.43943 ? 41  PHE A CZ   1 
ATOM   189  H H    . PHE A 1 14  ? 1.42121  4.67773  17.20422  1.000 18.65766 ? 41  PHE A H    1 
ATOM   190  H HA   . PHE A 1 14  ? 3.54210  3.20282  16.93275  1.000 17.30719 ? 41  PHE A HA   1 
ATOM   191  H HB2  . PHE A 1 14  ? 3.23579  5.14929  15.65688  1.000 20.55683 ? 41  PHE A HB2  1 
ATOM   192  H HB3  . PHE A 1 14  ? 3.48020  6.02869  16.95777  1.000 20.55683 ? 41  PHE A HB3  1 
ATOM   193  H HD1  . PHE A 1 14  ? 5.09109  3.94349  14.69045  1.000 17.80304 ? 41  PHE A HD1  1 
ATOM   194  H HD2  . PHE A 1 14  ? 5.68027  6.43954  17.72119  1.000 25.03558 ? 41  PHE A HD2  1 
ATOM   195  H HE1  . PHE A 1 14  ? 7.35788  3.92049  14.25211  1.000 23.85949 ? 41  PHE A HE1  1 
ATOM   196  H HE2  . PHE A 1 14  ? 7.96658  6.38298  17.32626  1.000 28.19372 ? 41  PHE A HE2  1 
ATOM   197  H HZ   . PHE A 1 14  ? 8.77854  5.14255  15.57220  1.000 14.97047 ? 41  PHE A HZ   1 
ATOM   198  N N    . SER A 1 15  ? 3.47758  4.77587  19.72516  1.000 17.91742 ? 42  SER A N    1 
ATOM   199  C CA   . SER A 1 15  ? 4.21683  4.84201  20.97890  1.000 25.57448 ? 42  SER A CA   1 
ATOM   200  C C    . SER A 1 15  ? 4.37488  3.46624  21.61776  1.000 31.63530 ? 42  SER A C    1 
ATOM   201  O O    . SER A 1 15  ? 5.23960  3.29282  22.48070  1.000 36.81134 ? 42  SER A O    1 
ATOM   202  C CB   . SER A 1 15  ? 3.55680  5.79303  21.97537  1.000 33.23803 ? 42  SER A CB   1 
ATOM   203  O OG   . SER A 1 15  ? 2.60865  5.12305  22.77171  1.000 30.78926 ? 42  SER A OG   1 
ATOM   204  H H    . SER A 1 15  ? 2.72135  5.18501  19.70754  1.000 21.54406 ? 42  SER A H    1 
ATOM   205  H HA   . SER A 1 15  ? 5.09549  5.20289  20.78239  1.000 30.73253 ? 42  SER A HA   1 
ATOM   206  H HB2  . SER A 1 15  ? 4.24108  6.16854  22.55126  1.000 39.92878 ? 42  SER A HB2  1 
ATOM   207  H HB3  . SER A 1 15  ? 3.11059  6.50111  21.48505  1.000 39.92878 ? 42  SER A HB3  1 
ATOM   208  H HG   . SER A 1 15  ? 2.21327  5.67144  23.27025  1.000 36.99027 ? 42  SER A HG   1 
ATOM   209  N N    . PHE A 1 16  ? 3.58952  2.47220  21.20170  1.000 20.15720 ? 43  PHE A N    1 
ATOM   210  C CA   . PHE A 1 16  ? 3.68701  1.16193  21.81536  1.000 19.80161 ? 43  PHE A CA   1 
ATOM   211  C C    . PHE A 1 16  ? 4.51938  0.16105  21.01378  1.000 18.53882 ? 43  PHE A C    1 
ATOM   212  O O    . PHE A 1 16  ? 4.52338  -1.03666 21.35962  1.000 19.63860 ? 43  PHE A O    1 
ATOM   213  C CB   . PHE A 1 16  ? 2.28274  0.59389  22.08058  1.000 25.60664 ? 43  PHE A CB   1 
ATOM   214  C CG   . PHE A 1 16  ? 1.44268  1.47906  22.96941  1.000 37.52095 ? 43  PHE A CG   1 
ATOM   215  C CD1  . PHE A 1 16  ? 0.98219  1.00805  24.17073  1.000 43.83394 ? 43  PHE A CD1  1 
ATOM   216  C CD2  . PHE A 1 16  ? 1.07442  2.75148  22.58519  1.000 36.85591 ? 43  PHE A CD2  1 
ATOM   217  C CE1  . PHE A 1 16  ? 0.18848  1.79911  24.99807  1.000 49.01281 ? 43  PHE A CE1  1 
ATOM   218  C CE2  . PHE A 1 16  ? 0.28200  3.55582  23.41529  1.000 35.94013 ? 43  PHE A CE2  1 
ATOM   219  C CZ   . PHE A 1 16  ? -0.15847 3.06979  24.60826  1.000 49.79537 ? 43  PHE A CZ   1 
ATOM   220  H H    . PHE A 1 16  ? 3.00407  2.53812  20.57520  1.000 24.23180 ? 43  PHE A H    1 
ATOM   221  H HA   . PHE A 1 16  ? 4.13396  1.27216  22.66917  1.000 23.54615 ? 43  PHE A HA   1 
ATOM   222  H HB2  . PHE A 1 16  ? 1.81912  0.49420  21.23440  1.000 30.77112 ? 43  PHE A HB2  1 
ATOM   223  H HB3  . PHE A 1 16  ? 2.36971  -0.26907 22.51490  1.000 30.77112 ? 43  PHE A HB3  1 
ATOM   224  H HD1  . PHE A 1 16  ? 1.20335  0.14531  24.43841  1.000 52.64388 ? 43  PHE A HD1  1 
ATOM   225  H HD2  . PHE A 1 16  ? 1.35637  3.08081  21.76243  1.000 44.27025 ? 43  PHE A HD2  1 
ATOM   226  H HE1  . PHE A 1 16  ? -0.10676 1.46676  25.81493  1.000 58.85852 ? 43  PHE A HE1  1 
ATOM   227  H HE2  . PHE A 1 16  ? 0.05769  4.41910  23.15198  1.000 43.17131 ? 43  PHE A HE2  1 
ATOM   228  H HZ   . PHE A 1 16  ? -0.69276 3.59657  25.15775  1.000 59.79760 ? 43  PHE A HZ   1 
ATOM   229  N N    . CYS A 1 17  ? 5.24801  0.60048  19.98475  1.000 16.63804 ? 44  CYS A N    1 
ATOM   230  C CA   . CYS A 1 17  ? 6.05775  -0.36600 19.27049  1.000 16.30495 ? 44  CYS A CA   1 
ATOM   231  C C    . CYS A 1 17  ? 7.02275  -1.08145 20.18322  1.000 16.94283 ? 44  CYS A C    1 
ATOM   232  O O    . CYS A 1 17  ? 7.77008  -0.44308 20.92253  1.000 20.98180 ? 44  CYS A O    1 
ATOM   233  C CB   . CYS A 1 17  ? 6.84914  0.19120  18.09325  1.000 14.13961 ? 44  CYS A CB   1 
ATOM   234  S SG   . CYS A 1 17  ? 6.03406  1.13506  16.95620  1.000 19.41378 ? 44  CYS A SG   1 
ATOM   235  H H    . CYS A 1 17  ? 5.28400  1.41152  19.70100  1.000 19.74988 ? 44  CYS A H    1 
ATOM   236  H HA   . CYS A 1 17  ? 5.40676  -0.98441 18.90351  1.000 19.60910 ? 44  CYS A HA   1 
ATOM   237  H HB2  . CYS A 1 17  ? 7.56056  0.74401  18.45267  1.000 17.01068 ? 44  CYS A HB2  1 
ATOM   238  H HB3  . CYS A 1 17  ? 7.22542  -0.56083 17.60977  1.000 17.01068 ? 44  CYS A HB3  1 
ATOM   239  H HG   . CYS A 1 17  ? 6.83091  1.59031  16.18304  1.000 23.33969 ? 44  CYS A HG   1 
ATOM   240  N N    . ARG A 1 18  ? 7.00260  -2.40907 20.09129  1.000 17.71351 ? 45  ARG A N    1 
ATOM   241  C CA   . ARG A 1 18  ? 7.90942  -3.30579 20.78619  1.000 19.09158 ? 45  ARG A CA   1 
ATOM   242  C C    . ARG A 1 18  ? 9.25357  -3.42915 20.09606  1.000 18.08148 ? 45  ARG A C    1 
ATOM   243  O O    . ARG A 1 18  ? 10.15820 -4.02807 20.66728  1.000 20.86059 ? 45  ARG A O    1 
ATOM   244  C CB   . ARG A 1 18  ? 7.29391  -4.70545 20.86086  1.000 29.99704 ? 45  ARG A CB   1 
ATOM   245  C CG   . ARG A 1 18  ? 7.43212  -5.45709 19.52631  1.000 29.16626 ? 45  ARG A CG   1 
ATOM   246  C CD   . ARG A 1 18  ? 6.23890  -6.32507 19.19717  1.000 39.29206 ? 45  ARG A CD   1 
ATOM   247  N NE   . ARG A 1 18  ? 6.16138  -7.48859 20.07583  1.000 48.58389 ? 45  ARG A NE   1 
ATOM   248  C CZ   . ARG A 1 18  ? 5.49519  -7.51084 21.22344  1.000 49.44619 ? 45  ARG A CZ   1 
ATOM   249  N NH1  . ARG A 1 18  ? 4.81782  -6.45349 21.65212  1.000 46.68991 ? 45  ARG A NH1  1 
ATOM   250  N NH2  . ARG A 1 18  ? 5.49244  -8.62365 21.94752  1.000 50.82224 ? 45  ARG A NH2  1 
ATOM   251  H H    . ARG A 1 18  ? 6.43841  -2.83670 19.60300  1.000 21.04044 ? 45  ARG A H    1 
ATOM   252  H HA   . ARG A 1 18  ? 8.04565  -2.96616 21.68451  1.000 22.69412 ? 45  ARG A HA   1 
ATOM   253  H HB2  . ARG A 1 18  ? 7.74724  -5.21816 21.54827  1.000 36.03961 ? 45  ARG A HB2  1 
ATOM   254  H HB3  . ARG A 1 18  ? 6.35022  -4.62924 21.07190  1.000 36.03961 ? 45  ARG A HB3  1 
ATOM   255  H HG2  . ARG A 1 18  ? 7.53425  -4.80999 18.81096  1.000 35.04267 ? 45  ARG A HG2  1 
ATOM   256  H HG3  . ARG A 1 18  ? 8.21318  -6.03071 19.56880  1.000 35.04267 ? 45  ARG A HG3  1 
ATOM   257  H HD2  . ARG A 1 18  ? 5.42598  -5.80703 19.30532  1.000 47.19362 ? 45  ARG A HD2  1 
ATOM   258  H HD3  . ARG A 1 18  ? 6.31317  -6.63871 18.28229  1.000 47.19362 ? 45  ARG A HD3  1 
ATOM   259  H HE   . ARG A 1 18  ? 6.57307  -8.20409 19.83467  1.000 58.34383 ? 45  ARG A HE   1 
ATOM   260  H HH11 . ARG A 1 18  ? 4.80385  -5.73271 21.18319  1.000 56.07104 ? 45  ARG A HH11 1 
ATOM   261  H HH12 . ARG A 1 18  ? 4.39275  -6.48894 22.39889  1.000 56.07104 ? 45  ARG A HH12 1 
ATOM   262  H HH21 . ARG A 1 18  ? 5.91866  -9.31758 21.67111  1.000 61.02984 ? 45  ARG A HH21 1 
ATOM   263  H HH22 . ARG A 1 18  ? 5.06444  -8.65057 22.69297  1.000 61.02984 ? 45  ARG A HH22 1 
ATOM   264  N N    . GLU A 1 19  ? 9.39398  -2.89813 18.87782  1.000 15.97842 ? 46  GLU A N    1 
ATOM   265  C CA   . GLU A 1 19  ? 10.59949 -3.16885 18.11310  1.000 15.20554 ? 46  GLU A CA   1 
ATOM   266  C C    . GLU A 1 19  ? 11.81019 -2.63643 18.86086  1.000 15.53198 ? 46  GLU A C    1 
ATOM   267  O O    . GLU A 1 19  ? 11.80757 -1.50350 19.34380  1.000 16.17503 ? 46  GLU A O    1 
ATOM   268  C CB   . GLU A 1 19  ? 10.51608 -2.53623 16.72838  1.000 13.66143 ? 46  GLU A CB   1 
ATOM   269  C CG   . GLU A 1 19  ? 9.73908  -3.36770 15.70082  1.000 13.45173 ? 46  GLU A CG   1 
ATOM   270  C CD   . GLU A 1 19  ? 8.23385  -3.38799 15.93382  1.000 24.59557 ? 46  GLU A CD   1 
ATOM   271  O OE1  . GLU A 1 19  ? 7.71906  -2.50425 16.64114  1.000 17.83049 ? 46  GLU A OE1  1 
ATOM   272  O OE2  . GLU A 1 19  ? 7.57175  -4.30968 15.40112  1.000 22.13108 ? 46  GLU A OE2  1 
ATOM   273  H H    . GLU A 1 19  ? 8.81828  -2.39241 18.48742  1.000 18.95833 ? 46  GLU A H    1 
ATOM   274  H HA   . GLU A 1 19  ? 10.69503 -4.12658 17.99256  1.000 18.03087 ? 46  GLU A HA   1 
ATOM   275  H HB2  . GLU A 1 19  ? 10.07294 -1.67693 16.80664  1.000 16.43687 ? 46  GLU A HB2  1 
ATOM   276  H HB3  . GLU A 1 19  ? 11.41645 -2.41544 16.38831  1.000 16.43687 ? 46  GLU A HB3  1 
ATOM   277  H HG2  . GLU A 1 19  ? 9.89595  -2.99783 14.81794  1.000 15.92630 ? 46  GLU A HG2  1 
ATOM   278  H HG3  . GLU A 1 19  ? 10.05567 -4.28384 15.73776  1.000 15.92630 ? 46  GLU A HG3  1 
ATOM   279  N N    . GLU A 1 20  ? 12.82526 -3.45882 18.98370  1.000 16.37839 ? 47  GLU A N    1 
ATOM   280  C CA   A GLU A 1 20  ? 14.06532 -3.01943 19.59634  0.575 16.90545 ? 47  GLU A CA   1 
ATOM   281  C CA   B GLU A 1 20  ? 14.06939 -3.02583 19.59543  0.425 16.91017 ? 47  GLU A CA   1 
ATOM   282  C C    . GLU A 1 20  ? 14.97673 -2.45291 18.51248  1.000 15.64394 ? 47  GLU A C    1 
ATOM   283  O O    . GLU A 1 20  ? 14.68350 -2.51480 17.31858  1.000 14.17449 ? 47  GLU A O    1 
ATOM   284  C CB   A GLU A 1 20  ? 14.72451 -4.17632 20.35003  0.575 21.53300 ? 47  GLU A CB   1 
ATOM   285  C CB   B GLU A 1 20  ? 14.75586 -4.18661 20.31729  0.425 21.51987 ? 47  GLU A CB   1 
ATOM   286  C CG   A GLU A 1 20  ? 16.01724 -3.82341 21.06964  0.575 27.53604 ? 47  GLU A CG   1 
ATOM   287  C CG   B GLU A 1 20  ? 13.95869 -4.83055 21.46065  0.425 22.92404 ? 47  GLU A CG   1 
ATOM   288  C CD   A GLU A 1 20  ? 15.89742 -2.56006 21.91129  0.575 34.37936 ? 47  GLU A CD   1 
ATOM   289  C CD   B GLU A 1 20  ? 13.84075 -3.95176 22.68618  0.425 27.41399 ? 47  GLU A CD   1 
ATOM   290  O OE1  A GLU A 1 20  ? 14.96132 -2.47225 22.73623  0.575 36.53609 ? 47  GLU A OE1  1 
ATOM   291  O OE1  B GLU A 1 20  ? 14.36583 -2.82047 22.66669  0.425 30.01516 ? 47  GLU A OE1  1 
ATOM   292  O OE2  A GLU A 1 20  ? 16.72465 -1.64432 21.72034  0.575 19.66672 ? 47  GLU A OE2  1 
ATOM   293  O OE2  B GLU A 1 20  ? 13.23659 -4.40642 23.68351  0.425 30.52034 ? 47  GLU A OE2  1 
ATOM   294  H H    . GLU A 1 20  ? 12.82486 -4.27779 18.72121  1.000 19.43830 ? 47  GLU A H    1 
ATOM   295  H HA   . GLU A 1 20  ? 13.89878 -2.32205 20.24966  1.000 20.07643 ? 47  GLU A HA   1 
ATOM   296  H HB2  A GLU A 1 20  ? 14.10054 -4.50288 21.01706  0.575 25.88276 ? 47  GLU A HB2  1 
ATOM   297  H HB2  B GLU A 1 20  ? 14.93846 -4.88288 19.66708  0.425 25.86700 ? 47  GLU A HB2  1 
ATOM   298  H HB3  A GLU A 1 20  ? 14.92870 -4.87981 19.71418  0.575 25.88276 ? 47  GLU A HB3  1 
ATOM   299  H HB3  B GLU A 1 20  ? 15.58709 -3.85970 20.69557  0.425 25.86700 ? 47  GLU A HB3  1 
ATOM   300  H HG2  A GLU A 1 20  ? 16.26057 -4.55440 21.65901  0.575 33.08641 ? 47  GLU A HG2  1 
ATOM   301  H HG2  B GLU A 1 20  ? 13.06138 -5.02328 21.14666  0.425 27.55200 ? 47  GLU A HG2  1 
ATOM   302  H HG3  A GLU A 1 20  ? 16.71605 -3.68060 20.41224  0.575 33.08641 ? 47  GLU A HG3  1 
ATOM   303  H HG3  B GLU A 1 20  ? 14.40077 -5.65203 21.72641  0.425 27.55200 ? 47  GLU A HG3  1 
ATOM   304  N N    . MET A 1 21  ? 16.08500 -1.87632 18.94541  1.000 15.77920 ? 48  MET A N    1 
ATOM   305  C CA   A MET A 1 21  ? 17.05944 -1.35876 17.99712  0.545 15.10228 ? 48  MET A CA   1 
ATOM   306  C CA   B MET A 1 21  ? 17.05273 -1.35459 17.99545  0.455 15.10666 ? 48  MET A CA   1 
ATOM   307  C C    . MET A 1 21  ? 17.38525 -2.42226 16.95761  1.000 14.58579 ? 48  MET A C    1 
ATOM   308  O O    . MET A 1 21  ? 17.62688 -3.59007 17.29262  1.000 15.90118 ? 48  MET A O    1 
ATOM   309  C CB   A MET A 1 21  ? 18.31338 -0.93145 18.74965  0.545 17.38961 ? 48  MET A CB   1 
ATOM   310  C CB   B MET A 1 21  ? 18.29176 -0.89906 18.76221  0.455 17.38437 ? 48  MET A CB   1 
ATOM   311  C CG   A MET A 1 21  ? 19.39344 -0.37621 17.86901  0.545 16.93172 ? 48  MET A CG   1 
ATOM   312  C CG   B MET A 1 21  ? 19.35025 -0.31282 17.89604  0.455 16.94493 ? 48  MET A CG   1 
ATOM   313  S SD   A MET A 1 21  ? 20.90710 -0.25489 18.81285  0.545 20.29054 ? 48  MET A SD   1 
ATOM   314  S SD   B MET A 1 21  ? 20.41202 -1.62378 17.35865  0.455 16.07816 ? 48  MET A SD   1 
ATOM   315  C CE   A MET A 1 21  ? 21.56809 -1.91243 18.61188  0.545 22.50442 ? 48  MET A CE   1 
ATOM   316  C CE   B MET A 1 21  ? 21.44487 -1.91118 18.79481  0.455 22.69084 ? 48  MET A CE   1 
ATOM   317  H H    A MET A 1 21  ? 16.29576 -1.77261 19.77270  0.545 18.71926 ? 48  MET A H    1 
ATOM   318  H H    B MET A 1 21  ? 16.29832 -1.77557 19.77241  0.455 18.71926 ? 48  MET A H    1 
ATOM   319  H HA   A MET A 1 21  ? 16.70488 -0.57708 17.54527  0.545 18.16590 ? 48  MET A HA   1 
ATOM   320  H HA   B MET A 1 21  ? 16.69962 -0.58140 17.52812  0.455 18.17114 ? 48  MET A HA   1 
ATOM   321  H HB2  A MET A 1 21  ? 18.07245 -0.24416 19.39034  0.545 20.91069 ? 48  MET A HB2  1 
ATOM   322  H HB2  B MET A 1 21  ? 18.02877 -0.22367 19.40687  0.455 20.90440 ? 48  MET A HB2  1 
ATOM   323  H HB3  A MET A 1 21  ? 18.67679 -1.70302 19.21172  0.545 20.91069 ? 48  MET A HB3  1 
ATOM   324  H HB3  B MET A 1 21  ? 18.67379 -1.66400 19.22027  0.455 20.90440 ? 48  MET A HB3  1 
ATOM   325  H HG2  A MET A 1 21  ? 19.53912 -0.96593 17.11276  0.545 20.36122 ? 48  MET A HG2  1 
ATOM   326  H HG2  B MET A 1 21  ? 18.94997 0.11172  17.12116  0.455 20.37707 ? 48  MET A HG2  1 
ATOM   327  H HG3  A MET A 1 21  ? 19.14389 0.50774  17.55717  0.545 20.36122 ? 48  MET A HG3  1 
ATOM   328  H HG3  B MET A 1 21  ? 19.87073 0.33443  18.39709  0.455 20.37707 ? 48  MET A HG3  1 
ATOM   329  H HE1  A MET A 1 21  ? 22.41134 -1.97591 19.08707  0.545 27.04845 ? 48  MET A HE1  1 
ATOM   330  H HE1  B MET A 1 21  ? 22.10597 -2.58713 18.57819  0.455 27.27216 ? 48  MET A HE1  1 
ATOM   331  H HE2  A MET A 1 21  ? 20.93483 -2.55114 18.97509  0.545 27.04845 ? 48  MET A HE2  1 
ATOM   332  H HE2  B MET A 1 21  ? 21.88651 -1.08225 19.03716  0.455 27.27216 ? 48  MET A HE2  1 
ATOM   333  H HE3  A MET A 1 21  ? 21.70685 -2.08472 17.66744  0.545 27.04845 ? 48  MET A HE3  1 
ATOM   334  H HE3  B MET A 1 21  ? 20.88813 -2.21607 19.52828  0.455 27.27216 ? 48  MET A HE3  1 
ATOM   335  N N    . GLY A 1 22  ? 17.37830 -2.02528 15.68505  1.000 15.00750 ? 49  GLY A N    1 
ATOM   336  C CA   . GLY A 1 22  ? 17.69368 -2.90454 14.58875  1.000 15.12794 ? 49  GLY A CA   1 
ATOM   337  C C    . GLY A 1 22  ? 16.49432 -3.58696 13.95390  1.000 19.65754 ? 49  GLY A C    1 
ATOM   338  O O    . GLY A 1 22  ? 16.59320 -4.08071 12.82724  1.000 21.41006 ? 49  GLY A O    1 
ATOM   339  H H    . GLY A 1 22  ? 17.18679 -1.22487 15.43550  1.000 18.05216 ? 49  GLY A H    1 
ATOM   340  H HA2  . GLY A 1 22  ? 18.14237 -2.39187 13.89829  1.000 18.19668 ? 49  GLY A HA2  1 
ATOM   341  H HA3  . GLY A 1 22  ? 18.29341 -3.59680 14.90814  1.000 18.19668 ? 49  GLY A HA3  1 
ATOM   342  N N    . GLU A 1 23  ? 15.37227 -3.62656 14.64558  1.000 12.78887 ? 50  GLU A N    1 
ATOM   343  C CA   . GLU A 1 23  ? 14.16433 -4.27299 14.15976  1.000 12.03858 ? 50  GLU A CA   1 
ATOM   344  C C    . GLU A 1 23  ? 13.40433 -3.28679 13.28373  1.000 11.58118 ? 50  GLU A C    1 
ATOM   345  O O    . GLU A 1 23  ? 13.56734 -2.07584 13.39715  1.000 14.19907 ? 50  GLU A O    1 
ATOM   346  C CB   . GLU A 1 23  ? 13.34987 -4.76436 15.35553  1.000 16.50620 ? 50  GLU A CB   1 
ATOM   347  C CG   . GLU A 1 23  ? 14.01430 -6.01699 15.96089  1.000 19.96078 ? 50  GLU A CG   1 
ATOM   348  C CD   . GLU A 1 23  ? 13.17531 -6.71304 17.01622  1.000 33.93729 ? 50  GLU A CD   1 
ATOM   349  O OE1  . GLU A 1 23  ? 12.54667 -6.02176 17.84146  1.000 28.70942 ? 50  GLU A OE1  1 
ATOM   350  O OE2  . GLU A 1 23  ? 13.14531 -7.96352 17.02436  1.000 51.58517 ? 50  GLU A OE2  1 
ATOM   351  H H    . GLU A 1 23  ? 15.27908 -3.27551 15.42511  1.000 15.38980 ? 50  GLU A H    1 
ATOM   352  H HA   . GLU A 1 23  ? 14.34700 -5.05184 13.61119  1.000 14.23052 ? 50  GLU A HA   1 
ATOM   353  H HB2  . GLU A 1 23  ? 13.31331 -4.07131 16.03321  1.000 19.85059 ? 50  GLU A HB2  1 
ATOM   354  H HB3  . GLU A 1 23  ? 12.45262 -4.99449 15.06762  1.000 19.85059 ? 50  GLU A HB3  1 
ATOM   355  H HG2  . GLU A 1 23  ? 14.18142 -6.65501 15.24962  1.000 23.99609 ? 50  GLU A HG2  1 
ATOM   356  H HG3  . GLU A 1 23  ? 14.85136 -5.75555 16.37549  1.000 23.99609 ? 50  GLU A HG3  1 
ATOM   357  N N    . VAL A 1 24  ? 12.63442 -3.83051 12.34824  1.000 14.09393 ? 51  VAL A N    1 
ATOM   358  C CA   . VAL A 1 24  ? 12.09469 -3.02055 11.26878  1.000 12.55425 ? 51  VAL A CA   1 
ATOM   359  C C    . VAL A 1 24  ? 10.60214 -3.26039 11.11811  1.000 13.72939 ? 51  VAL A C    1 
ATOM   360  O O    . VAL A 1 24  ? 10.08539 -4.35250 11.38597  1.000 13.98143 ? 51  VAL A O    1 
ATOM   361  C CB   . VAL A 1 24  ? 12.86916 -3.32026 9.95228   1.000 18.25430 ? 51  VAL A CB   1 
ATOM   362  C CG1  . VAL A 1 24  ? 12.33287 -4.51304 9.26400   1.000 27.32453 ? 51  VAL A CG1  1 
ATOM   363  C CG2  . VAL A 1 24  ? 12.80877 -2.11813 9.01595   1.000 27.44053 ? 51  VAL A CG2  1 
ATOM   364  H H    . VAL A 1 24  ? 12.41342 -4.66113 12.31964  1.000 16.95587 ? 51  VAL A H    1 
ATOM   365  H HA   . VAL A 1 24  ? 12.18016 -2.07898 11.48564  1.000 15.10826 ? 51  VAL A HA   1 
ATOM   366  H HB   . VAL A 1 24  ? 13.79346 -3.49936 10.18573  1.000 21.94831 ? 51  VAL A HB   1 
ATOM   367  H HG11 . VAL A 1 24  ? 12.85970 -4.68135 8.46712   1.000 32.83260 ? 51  VAL A HG11 1 
ATOM   368  H HG12 . VAL A 1 24  ? 12.38665 -5.27412 9.86296   1.000 32.83260 ? 51  VAL A HG12 1 
ATOM   369  H HG13 . VAL A 1 24  ? 11.40845 -4.34828 9.02068   1.000 32.83260 ? 51  VAL A HG13 1 
ATOM   370  H HG21 . VAL A 1 24  ? 13.30652 -2.32137 8.20859   1.000 32.97179 ? 51  VAL A HG21 1 
ATOM   371  H HG22 . VAL A 1 24  ? 11.88188 -1.93546 8.79593   1.000 32.97179 ? 51  VAL A HG22 1 
ATOM   372  H HG23 . VAL A 1 24  ? 13.20038 -1.35072 9.46162   1.000 32.97179 ? 51  VAL A HG23 1 
ATOM   373  N N    . ILE A 1 25  ? 9.90001  -2.20003 10.74007  1.000 10.98631 ? 52  ILE A N    1 
ATOM   374  C CA   . ILE A 1 25  ? 8.50809  -2.27372 10.29941  1.000 12.01485 ? 52  ILE A CA   1 
ATOM   375  C C    . ILE A 1 25  ? 8.49670  -1.86769 8.83670   1.000 16.26447 ? 52  ILE A C    1 
ATOM   376  O O    . ILE A 1 25  ? 9.09324  -0.84097 8.48056   1.000 10.05331 ? 52  ILE A O    1 
ATOM   377  C CB   . ILE A 1 25  ? 7.57352  -1.35036 11.09885  1.000 13.36780 ? 52  ILE A CB   1 
ATOM   378  C CG1  . ILE A 1 25  ? 7.57439  -1.71006 12.58127  1.000 19.23589 ? 52  ILE A CG1  1 
ATOM   379  C CG2  . ILE A 1 25  ? 6.17052  -1.39647 10.52087  1.000 14.72657 ? 52  ILE A CG2  1 
ATOM   380  C CD1  . ILE A 1 25  ? 6.88403  -0.64208 13.44390  1.000 21.56540 ? 52  ILE A CD1  1 
ATOM   381  H H    . ILE A 1 25  ? 10.21649 -1.40046 10.72916  1.000 12.96780 ? 52  ILE A H    1 
ATOM   382  H HA   . ILE A 1 25  ? 8.18911  -3.18276 10.41257  1.000 14.20205 ? 52  ILE A HA   1 
ATOM   383  H HB   . ILE A 1 25  ? 7.90761  -0.44286 11.02327  1.000 16.08452 ? 52  ILE A HB   1 
ATOM   384  H HG12 . ILE A 1 25  ? 7.10256  -2.54859 12.70432  1.000 23.12623 ? 52  ILE A HG12 1 
ATOM   385  H HG13 . ILE A 1 25  ? 8.49121  -1.79749 12.88575  1.000 23.12623 ? 52  ILE A HG13 1 
ATOM   386  H HG21 . ILE A 1 25  ? 5.56401  -0.94374 11.12757  1.000 17.71504 ? 52  ILE A HG21 1 
ATOM   387  H HG22 . ILE A 1 25  ? 6.16931  -0.95165 9.65887   1.000 17.71504 ? 52  ILE A HG22 1 
ATOM   388  H HG23 . ILE A 1 25  ? 5.90268  -2.32278 10.41547  1.000 17.71504 ? 52  ILE A HG23 1 
ATOM   389  H HD11 . ILE A 1 25  ? 7.09469  -0.80491 14.37664  1.000 25.92163 ? 52  ILE A HD11 1 
ATOM   390  H HD12 . ILE A 1 25  ? 7.20645  0.23388  13.18001  1.000 25.92163 ? 52  ILE A HD12 1 
ATOM   391  H HD13 . ILE A 1 25  ? 5.92531  -0.69676 13.30689  1.000 25.92163 ? 52  ILE A HD13 1 
ATOM   392  N N    . LYS A 1 26  ? 7.80575  -2.63737 8.00284   1.000 13.76846 ? 53  LYS A N    1 
ATOM   393  C CA   . LYS A 1 26  ? 7.79806  -2.40395 6.55912   1.000 11.98723 ? 53  LYS A CA   1 
ATOM   394  C C    . LYS A 1 26  ? 6.39450  -2.02555 6.10703   1.000 12.73278 ? 53  LYS A C    1 
ATOM   395  O O    . LYS A 1 26  ? 5.39290  -2.64538 6.52195   1.000 14.19806 ? 53  LYS A O    1 
ATOM   396  C CB   . LYS A 1 26  ? 8.29801  -3.62956 5.79157   1.000 12.85103 ? 53  LYS A CB   1 
ATOM   397  H H    . LYS A 1 26  ? 7.32822  -3.30833 8.25057   1.000 16.56531 ? 53  LYS A H    1 
ATOM   398  H HA   . LYS A 1 26  ? 8.38860  -1.66418 6.34723   1.000 14.16890 ? 53  LYS A HA   1 
ATOM   399  N N    . SER A 1 27  ? 6.31585  -1.01853 5.22986   1.000 12.00601 ? 54  SER A N    1 
ATOM   400  C CA   . SER A 1 27  ? 5.04636  -0.56752 4.69280   1.000 12.80035 ? 54  SER A CA   1 
ATOM   401  C C    . SER A 1 27  ? 4.54513  -1.48515 3.57352   1.000 13.97167 ? 54  SER A C    1 
ATOM   402  O O    . SER A 1 27  ? 5.24251  -2.37110 3.08265   1.000 14.16146 ? 54  SER A O    1 
ATOM   403  C CB   . SER A 1 27  ? 5.16974  0.86024  4.15814   1.000 11.95692 ? 54  SER A CB   1 
ATOM   404  O OG   . SER A 1 27  ? 5.74693  0.86895  2.85957   1.000 11.75044 ? 54  SER A OG   1 
ATOM   405  H H    . SER A 1 27  ? 6.99426  -0.58157 4.93249   1.000 14.19143 ? 54  SER A H    1 
ATOM   406  H HA   . SER A 1 27  ? 4.39533  -0.58661 5.41162   1.000 15.14464 ? 54  SER A HA   1 
ATOM   407  H HB2  . SER A 1 27  ? 4.28593  1.25743  4.11297   1.000 14.13253 ? 54  SER A HB2  1 
ATOM   408  H HB3  . SER A 1 27  ? 5.73393  1.37361  4.75735   1.000 14.13253 ? 54  SER A HB3  1 
ATOM   409  H HG   . SER A 1 27  ? 5.22661  0.50231  2.31144   1.000 14.05692 ? 54  SER A HG   1 
ATOM   410  N N    . SER A 1 28  ? 3.29726  -1.25717 3.17451   1.000 15.00515 ? 55  SER A N    1 
ATOM   411  C CA   . SER A 1 28  ? 2.80594  -1.82011 1.92549   1.000 18.64873 ? 55  SER A CA   1 
ATOM   412  C C    . SER A 1 28  ? 3.53519  -1.18787 0.73707   1.000 15.34114 ? 55  SER A C    1 
ATOM   413  O O    . SER A 1 28  ? 4.20542  -0.16258 0.86107   1.000 14.10500 ? 55  SER A O    1 
ATOM   414  C CB   . SER A 1 28  ? 1.28980  -1.59264 1.81761   1.000 20.52102 ? 55  SER A CB   1 
ATOM   415  O OG   . SER A 1 28  ? 0.62858  -2.23323 2.89503   1.000 20.73765 ? 55  SER A OG   1 
ATOM   416  H H    . SER A 1 28  ? 2.72225  -0.78464 3.60540   1.000 18.04933 ? 55  SER A H    1 
ATOM   417  H HA   . SER A 1 28  ? 2.96989  -2.77572 1.89670   1.000 22.42163 ? 55  SER A HA   1 
ATOM   418  H HB2  . SER A 1 28  ? 1.10629  -0.64073 1.85056   1.000 24.66838 ? 55  SER A HB2  1 
ATOM   419  H HB3  . SER A 1 28  ? 0.96976  -1.96342 0.98036   1.000 24.66838 ? 55  SER A HB3  1 
ATOM   420  H HG   . SER A 1 28  ? 0.87958  -1.90094 3.62454   1.000 24.92833 ? 55  SER A HG   1 
ATOM   421  N N    . THR A 1 29  ? 3.41668  -1.82661 -0.43213  1.000 16.26415 ? 56  THR A N    1 
ATOM   422  C CA   . THR A 1 29  ? 4.09032  -1.25858 -1.59391  1.000 15.97599 ? 56  THR A CA   1 
ATOM   423  C C    . THR A 1 29  ? 3.26707  -0.15356 -2.24862  1.000 17.41146 ? 56  THR A C    1 
ATOM   424  O O    . THR A 1 29  ? 2.03812  -0.06154 -2.10365  1.000 18.35759 ? 56  THR A O    1 
ATOM   425  C CB   . THR A 1 29  ? 4.37498  -2.33420 -2.64619  1.000 20.22915 ? 56  THR A CB   1 
ATOM   426  O OG1  . THR A 1 29  ? 3.15096  -2.68553 -3.28602  1.000 25.02540 ? 56  THR A OG1  1 
ATOM   427  C CG2  . THR A 1 29  ? 5.01401  -3.58008 -2.01999  1.000 21.61886 ? 56  THR A CG2  1 
ATOM   428  H H    . THR A 1 29  ? 2.97435  -2.55171 -0.56693  1.000 19.30120 ? 56  THR A H    1 
ATOM   429  H HA   . THR A 1 29  ? 4.92804  -0.87843 -1.28635  1.000 18.95541 ? 56  THR A HA   1 
ATOM   430  H HB   . THR A 1 29  ? 5.00404  -1.99051 -3.29970  1.000 24.31813 ? 56  THR A HB   1 
ATOM   431  H HG1  . THR A 1 29  ? 2.57997  -2.90796 -2.71148  1.000 30.07363 ? 56  THR A HG1  1 
ATOM   432  H HG21 . THR A 1 29  ? 5.31269  -4.18544 -2.71657  1.000 25.98578 ? 56  THR A HG21 1 
ATOM   433  H HG22 . THR A 1 29  ? 5.77603  -3.32468 -1.47685  1.000 25.98578 ? 56  THR A HG22 1 
ATOM   434  H HG23 . THR A 1 29  ? 4.36797  -4.03854 -1.46021  1.000 25.98578 ? 56  THR A HG23 1 
ATOM   435  N N    . PHE A 1 30  ? 3.95205  0.69601  -3.00017  1.000 16.06346 ? 57  PHE A N    1 
ATOM   436  C CA   . PHE A 1 30  ? 3.27139  1.73295  -3.74984  1.000 17.90420 ? 57  PHE A CA   1 
ATOM   437  C C    . PHE A 1 30  ? 3.94106  1.89373  -5.10496  1.000 23.38851 ? 57  PHE A C    1 
ATOM   438  O O    . PHE A 1 30  ? 5.08038  1.47502  -5.31546  1.000 17.18984 ? 57  PHE A O    1 
ATOM   439  C CB   . PHE A 1 30  ? 3.24497  3.04731  -2.99150  1.000 17.23554 ? 57  PHE A CB   1 
ATOM   440  C CG   . PHE A 1 30  ? 4.57571  3.60775  -2.65487  1.000 14.90461 ? 57  PHE A CG   1 
ATOM   441  C CD1  . PHE A 1 30  ? 5.22703  3.25415  -1.48382  1.000 13.62606 ? 57  PHE A CD1  1 
ATOM   442  C CD2  . PHE A 1 30  ? 5.14336  4.58376  -3.45851  1.000 17.11692 ? 57  PHE A CD2  1 
ATOM   443  C CE1  . PHE A 1 30  ? 6.41287  3.82752  -1.12864  1.000 12.62165 ? 57  PHE A CE1  1 
ATOM   444  C CE2  . PHE A 1 30  ? 6.33629  5.15463  -3.12626  1.000 14.42110 ? 57  PHE A CE2  1 
ATOM   445  C CZ   . PHE A 1 30  ? 6.99493  4.77411  -1.95391  1.000 13.33407 ? 57  PHE A CZ   1 
ATOM   446  H H    . PHE A 1 30  ? 4.80732  0.69011  -3.09001  1.000 19.12836 ? 57  PHE A H    1 
ATOM   447  H HA   . PHE A 1 30  ? 2.35164  1.46936  -3.90945  1.000 21.52819 ? 57  PHE A HA   1 
ATOM   448  H HB2  . PHE A 1 30  ? 2.78215  3.70485  -3.53404  1.000 20.72580 ? 57  PHE A HB2  1 
ATOM   449  H HB3  . PHE A 1 30  ? 2.76852  2.91050  -2.15773  1.000 20.72580 ? 57  PHE A HB3  1 
ATOM   450  H HD1  . PHE A 1 30  ? 4.84755  2.61218  -0.92815  1.000 16.13549 ? 57  PHE A HD1  1 
ATOM   451  H HD2  . PHE A 1 30  ? 4.70544  4.85257  -4.23367  1.000 20.58346 ? 57  PHE A HD2  1 
ATOM   452  H HE1  . PHE A 1 30  ? 6.82923  3.58294  -0.33383  1.000 14.93021 ? 57  PHE A HE1  1 
ATOM   453  H HE2  . PHE A 1 30  ? 6.71261  5.79897  -3.68133  1.000 17.08954 ? 57  PHE A HE2  1 
ATOM   454  H HZ   . PHE A 1 30  ? 7.81469  5.15244  -1.73084  1.000 16.04404 ? 57  PHE A HZ   1 
ATOM   455  N N    . SER A 1 31  ? 3.19521  2.48518  -6.03062  1.000 19.22170 ? 58  SER A N    1 
ATOM   456  C CA   . SER A 1 31  ? 3.56087  2.50077  -7.42942  1.000 20.24249 ? 58  SER A CA   1 
ATOM   457  C C    . SER A 1 31  ? 3.04201  3.78626  -8.05004  1.000 29.46922 ? 58  SER A C    1 
ATOM   458  O O    . SER A 1 31  ? 2.30664  4.55574  -7.42487  1.000 26.37874 ? 58  SER A O    1 
ATOM   459  C CB   . SER A 1 31  ? 2.98679  1.26743  -8.13816  1.000 28.64983 ? 58  SER A CB   1 
ATOM   460  O OG   . SER A 1 31  ? 1.59538  1.14991  -7.86685  1.000 33.40760 ? 58  SER A OG   1 
ATOM   461  H H    . SER A 1 31  ? 2.45626  2.89245  -5.86425  1.000 23.10920 ? 58  SER A H    1 
ATOM   462  H HA   . SER A 1 31  ? 4.52601  2.49513  -7.52624  1.000 24.33414 ? 58  SER A HA   1 
ATOM   463  H HB2  . SER A 1 31  ? 3.11812  1.35983  -9.09478  1.000 34.42295 ? 58  SER A HB2  1 
ATOM   464  H HB3  . SER A 1 31  ? 3.44231  0.47400  -7.81586  1.000 34.42295 ? 58  SER A HB3  1 
ATOM   465  H HG   . SER A 1 31  ? 1.29345  0.44687  -8.21353  1.000 40.13228 ? 58  SER A HG   1 
ATOM   466  N N    . SER A 1 32  ? 3.42916  4.01262  -9.30141  1.000 27.11265 ? 59  SER A N    1 
ATOM   467  C CA   . SER A 1 32  ? 2.99487  5.21405  -9.99554  1.000 31.85334 ? 59  SER A CA   1 
ATOM   468  C C    . SER A 1 32  ? 1.55973  5.11288  -10.49252 1.000 37.80896 ? 59  SER A C    1 
ATOM   469  O O    . SER A 1 32  ? 0.93958  6.15014  -10.75151 1.000 46.61407 ? 59  SER A O    1 
ATOM   470  C CB   . SER A 1 32  ? 3.92325  5.49742  -11.18255 1.000 34.55035 ? 59  SER A CB   1 
ATOM   471  O OG   . SER A 1 32  ? 3.73525  4.53218  -12.20459 1.000 40.22056 ? 59  SER A OG   1 
ATOM   472  H H    . SER A 1 32  ? 3.93582  3.49237  -9.76210  1.000 32.57834 ? 59  SER A H    1 
ATOM   473  H HA   . SER A 1 32  ? 3.04945  5.96423  -9.38304  1.000 38.26717 ? 59  SER A HA   1 
ATOM   474  H HB2  . SER A 1 32  ? 3.72364  6.37773  -11.53768 1.000 41.50357 ? 59  SER A HB2  1 
ATOM   475  H HB3  . SER A 1 32  ? 4.84412  5.46283  -10.87974 1.000 41.50357 ? 59  SER A HB3  1 
ATOM   476  H HG   . SER A 1 32  ? 4.26867  4.67609  -12.83732 1.000 48.30783 ? 59  SER A HG   1 
ATOM   477  N N    . GLY A 1 33  ? 1.01861  3.90289  -10.61800 1.000 35.92272 ? 60  GLY A N    1 
ATOM   478  C CA   . GLY A 1 33  ? -0.22877 3.69788  -11.32596 1.000 42.42946 ? 60  GLY A CA   1 
ATOM   479  C C    . GLY A 1 33  ? -0.07633 3.68711  -12.82763 1.000 48.97366 ? 60  GLY A C    1 
ATOM   480  O O    . GLY A 1 33  ? -1.05739 3.42429  -13.54270 1.000 46.67298 ? 60  GLY A O    1 
ATOM   481  H H    . GLY A 1 33  ? 1.36217  3.18272  -10.29718 1.000 43.15042 ? 60  GLY A H    1 
ATOM   482  H HA2  . GLY A 1 33  ? -0.60898 2.84745  -11.05556 1.000 50.95850 ? 60  GLY A HA2  1 
ATOM   483  H HA3  . GLY A 1 33  ? -0.84557 4.40862  -11.09078 1.000 50.95850 ? 60  GLY A HA3  1 
ATOM   484  N N    . ALA A 1 34  ? 1.12557  3.95761  -13.32046 1.000 48.62295 ? 61  ALA A N    1 
ATOM   485  C CA   . ALA A 1 34  ? 1.43158  4.00522  -14.73496 1.000 41.91833 ? 61  ALA A CA   1 
ATOM   486  C C    . ALA A 1 34  ? 2.10484  2.69781  -15.15766 1.000 36.40585 ? 61  ALA A C    1 
ATOM   487  O O    . ALA A 1 34  ? 2.06065  1.69404  -14.43519 1.000 50.26671 ? 61  ALA A O    1 
ATOM   488  C CB   . ALA A 1 34  ? 2.31022  5.22886  -15.02097 1.000 45.25889 ? 61  ALA A CB   1 
ATOM   489  H H    . ALA A 1 34  ? 1.81036  4.12450  -12.82769 1.000 58.39069 ? 61  ALA A H    1 
ATOM   490  H HA   . ALA A 1 34  ? 0.59949  4.10003  -15.22439 1.000 50.34516 ? 61  ALA A HA   1 
ATOM   491  H HB1  . ALA A 1 34  ? 2.43044  5.31417  -15.97971 1.000 54.35382 ? 61  ALA A HB1  1 
ATOM   492  H HB2  . ALA A 1 34  ? 1.87275  6.02058  -14.67071 1.000 54.35382 ? 61  ALA A HB2  1 
ATOM   493  H HB3  . ALA A 1 34  ? 3.17037  5.10786  -14.58922 1.000 54.35382 ? 61  ALA A HB3  1 
ATOM   494  N N    . ASN A 1 35  ? 2.75616  2.71468  -16.31506 1.000 32.19220 ? 62  ASN A N    1 
ATOM   495  C CA   . ASN A 1 35  ? 3.25417  1.51777  -16.97533 1.000 39.54088 ? 62  ASN A CA   1 
ATOM   496  C C    . ASN A 1 35  ? 4.69983  1.19999  -16.63571 1.000 33.05856 ? 62  ASN A C    1 
ATOM   497  O O    . ASN A 1 35  ? 5.28110  0.30396  -17.25024 1.000 33.40473 ? 62  ASN A O    1 
ATOM   498  C CB   . ASN A 1 35  ? 3.09955  1.68257  -18.49872 1.000 43.27811 ? 62  ASN A CB   1 
ATOM   499  C CG   . ASN A 1 35  ? 4.27495  2.43341  -19.12992 1.000 50.96232 ? 62  ASN A CG   1 
ATOM   500  O OD1  . ASN A 1 35  ? 4.94302  3.25156  -18.47890 1.000 55.14761 ? 62  ASN A OD1  1 
ATOM   501  N ND2  . ASN A 1 35  ? 4.52707  2.16146  -20.40588 1.000 40.08164 ? 62  ASN A ND2  1 
ATOM   502  H H    . ASN A 1 35  ? 2.92751  3.43502  -16.75249 1.000 38.67379 ? 62  ASN A H    1 
ATOM   503  H HA   . ASN A 1 35  ? 2.72282  0.75925  -16.68688 1.000 47.49221 ? 62  ASN A HA   1 
ATOM   504  H HB2  . ASN A 1 35  ? 3.04797  0.80506  -18.90884 1.000 51.97689 ? 62  ASN A HB2  1 
ATOM   505  H HB3  . ASN A 1 35  ? 2.28920  2.18294  -18.68276 1.000 51.97689 ? 62  ASN A HB3  1 
ATOM   506  H HD21 . ASN A 1 35  ? 4.04093  1.59148  -20.82824 1.000 48.14113 ? 62  ASN A HD21 1 
ATOM   507  H HD22 . ASN A 1 35  ? 5.17637  2.55544  -20.80935 1.000 48.14113 ? 62  ASN A HD22 1 
ATOM   508  N N    . ASP A 1 36  ? 5.29228  1.88554  -15.65902 1.000 25.87931 ? 63  ASP A N    1 
ATOM   509  C CA   . ASP A 1 36  ? 6.71169  1.68898  -15.40604 1.000 30.07284 ? 63  ASP A CA   1 
ATOM   510  C C    . ASP A 1 36  ? 7.01527  0.42750  -14.60247 1.000 26.70262 ? 63  ASP A C    1 
ATOM   511  O O    . ASP A 1 36  ? 8.18622  0.03785  -14.52351 1.000 24.53668 ? 63  ASP A O    1 
ATOM   512  C CB   . ASP A 1 36  ? 7.28377  2.89031  -14.66028 1.000 26.19575 ? 63  ASP A CB   1 
ATOM   513  C CG   . ASP A 1 36  ? 6.38458  3.34026  -13.56314 1.000 27.08105 ? 63  ASP A CG   1 
ATOM   514  O OD1  . ASP A 1 36  ? 6.38777  2.68883  -12.49570 1.000 25.50390 ? 63  ASP A OD1  1 
ATOM   515  O OD2  . ASP A 1 36  ? 5.63363  4.30434  -13.79540 1.000 37.19449 ? 63  ASP A OD2  1 
ATOM   516  H H    . ASP A 1 36  ? 4.90204  2.45388  -15.14491 1.000 31.09832 ? 63  ASP A H    1 
ATOM   517  H HA   . ASP A 1 36  ? 7.15893  1.61454  -16.26356 1.000 36.13056 ? 63  ASP A HA   1 
ATOM   518  H HB2  . ASP A 1 36  ? 8.13899  2.64788  -14.27205 1.000 31.47805 ? 63  ASP A HB2  1 
ATOM   519  H HB3  . ASP A 1 36  ? 7.39803  3.62699  -15.28088 1.000 31.47805 ? 63  ASP A HB3  1 
ATOM   520  N N    . LYS A 1 37  ? 6.00941  -0.18964 -13.98595 1.000 21.72022 ? 64  LYS A N    1 
ATOM   521  C CA   . LYS A 1 37  ? 6.13134  -1.45041 -13.26654 1.000 20.35894 ? 64  LYS A CA   1 
ATOM   522  C C    . LYS A 1 37  ? 6.96382  -1.33299 -11.99956 1.000 18.51205 ? 64  LYS A C    1 
ATOM   523  O O    . LYS A 1 37  ? 7.28090  -2.35322 -11.38562 1.000 20.27499 ? 64  LYS A O    1 
ATOM   524  C CB   . LYS A 1 37  ? 6.74267  -2.55099 -14.14579 1.000 21.41597 ? 64  LYS A CB   1 
ATOM   525  C CG   . LYS A 1 37  ? 5.98537  -2.86290 -15.46153 1.000 33.78284 ? 64  LYS A CG   1 
ATOM   526  C CD   . LYS A 1 37  ? 4.52480  -3.20976 -15.23983 1.000 36.11724 ? 64  LYS A CD   1 
ATOM   527  C CE   . LYS A 1 37  ? 4.08756  -4.38505 -16.10794 1.000 41.73656 ? 64  LYS A CE   1 
ATOM   528  N NZ   . LYS A 1 37  ? 4.34646  -4.12699 -17.55580 1.000 43.53114 ? 64  LYS A NZ   1 
ATOM   529  H H    . LYS A 1 37  ? 5.20796  0.12196  -13.97239 1.000 26.10742 ? 64  LYS A H    1 
ATOM   530  H HA   . LYS A 1 37  ? 5.23566  -1.71954 -13.00918 1.000 24.21496 ? 64  LYS A HA   1 
ATOM   531  H HB2  . LYS A 1 37  ? 7.64195  -2.28083 -14.38911 1.000 25.48339 ? 64  LYS A HB2  1 
ATOM   532  H HB3  . LYS A 1 37  ? 6.77108  -3.37156 -13.62930 1.000 25.48339 ? 64  LYS A HB3  1 
ATOM   533  H HG2  . LYS A 1 37  ? 6.02253  -2.08425 -16.03878 1.000 40.58256 ? 64  LYS A HG2  1 
ATOM   534  H HG3  . LYS A 1 37  ? 6.40858  -3.61927 -15.89708 1.000 40.58256 ? 64  LYS A HG3  1 
ATOM   535  H HD2  . LYS A 1 37  ? 4.39011  -3.45156 -14.31015 1.000 43.38385 ? 64  LYS A HD2  1 
ATOM   536  H HD3  . LYS A 1 37  ? 3.97517  -2.44325 -15.46625 1.000 43.38385 ? 64  LYS A HD3  1 
ATOM   537  H HE2  . LYS A 1 37  ? 4.58192  -5.17774 -15.84689 1.000 50.12703 ? 64  LYS A HE2  1 
ATOM   538  H HE3  . LYS A 1 37  ? 3.13623  -4.53374 -15.99062 1.000 50.12703 ? 64  LYS A HE3  1 
ATOM   539  H HZ1  . LYS A 1 37  ? 4.06064  -4.81449 -18.04339 1.000 52.28053 ? 64  LYS A HZ1  1 
ATOM   540  H HZ2  . LYS A 1 37  ? 3.91828  -3.39112 -17.81516 1.000 52.28053 ? 64  LYS A HZ2  1 
ATOM   541  H HZ3  . LYS A 1 37  ? 5.21879  -4.01754 -17.69425 1.000 52.28053 ? 64  LYS A HZ3  1 
ATOM   542  N N    . LEU A 1 38  ? 7.36635  -0.13870 -11.60493 1.000 17.67754 ? 65  LEU A N    1 
ATOM   543  C CA   . LEU A 1 38  ? 8.15790  0.00582  -10.39614 1.000 16.04258 ? 65  LEU A CA   1 
ATOM   544  C C    . LEU A 1 38  ? 7.29150  -0.13509 -9.15246  1.000 16.61536 ? 65  LEU A C    1 
ATOM   545  O O    . LEU A 1 38  ? 6.21106  0.45726  -9.06618  1.000 18.81852 ? 65  LEU A O    1 
ATOM   546  C CB   . LEU A 1 38  ? 8.83363  1.37491  -10.35460 1.000 15.57592 ? 65  LEU A CB   1 
ATOM   547  C CG   . LEU A 1 38  ? 9.78589  1.70610  -11.47473 1.000 17.78757 ? 65  LEU A CG   1 
ATOM   548  C CD1  . LEU A 1 38  ? 10.44003 3.03984  -11.11917 1.000 22.31047 ? 65  LEU A CD1  1 
ATOM   549  C CD2  . LEU A 1 38  ? 10.81989 0.63826  -11.61895 1.000 18.39390 ? 65  LEU A CD2  1 
ATOM   550  H H    . LEU A 1 38  ? 7.19646  0.59785  -12.01510 1.000 20.99727 ? 65  LEU A H    1 
ATOM   551  H HA   . LEU A 1 38  ? 8.83463  -0.68910 -10.39266 1.000 19.03532 ? 65  LEU A HA   1 
ATOM   552  H HB2  . LEU A 1 38  ? 8.13805  2.05087  -10.36638 1.000 18.47533 ? 65  LEU A HB2  1 
ATOM   553  H HB3  . LEU A 1 38  ? 9.33863  1.43288  -9.52845  1.000 18.47533 ? 65  LEU A HB3  1 
ATOM   554  H HG   . LEU A 1 38  ? 9.32345  1.76734  -12.32521 1.000 21.38824 ? 65  LEU A HG   1 
ATOM   555  H HD11 . LEU A 1 38  ? 11.02521 3.30797  -11.84482 1.000 26.81572 ? 65  LEU A HD11 1 
ATOM   556  H HD12 . LEU A 1 38  ? 9.74752  3.70650  -10.98914 1.000 26.81572 ? 65  LEU A HD12 1 
ATOM   557  H HD13 . LEU A 1 38  ? 10.95308 2.93231  -10.30301 1.000 26.81572 ? 65  LEU A HD13 1 
ATOM   558  H HD21 . LEU A 1 38  ? 11.51912 0.95384  -12.21257 1.000 22.11583 ? 65  LEU A HD21 1 
ATOM   559  H HD22 . LEU A 1 38  ? 11.19225 0.43922  -10.74566 1.000 22.11583 ? 65  LEU A HD22 1 
ATOM   560  H HD23 . LEU A 1 38  ? 10.40427 -0.15572 -11.99011 1.000 22.11583 ? 65  LEU A HD23 1 
ATOM   561  N N    . LYS A 1 39  ? 7.79081  -0.88054 -8.16379  1.000 14.36855 ? 66  LYS A N    1 
ATOM   562  C CA   . LYS A 1 39  ? 7.12850  -1.02871 -6.88049  1.000 13.81875 ? 66  LYS A CA   1 
ATOM   563  C C    . LYS A 1 39  ? 8.11361  -0.62899 -5.79270  1.000 12.48599 ? 66  LYS A C    1 
ATOM   564  O O    . LYS A 1 39  ? 9.28071  -1.01670 -5.83768  1.000 11.99643 ? 66  LYS A O    1 
ATOM   565  C CB   . LYS A 1 39  ? 6.63544  -2.46413 -6.62778  1.000 15.19043 ? 66  LYS A CB   1 
ATOM   566  C CG   . LYS A 1 39  ? 5.58211  -2.96839 -7.62195  1.000 19.49170 ? 66  LYS A CG   1 
ATOM   567  C CD   . LYS A 1 39  ? 4.68688  -4.09462 -7.04904  1.000 30.42436 ? 66  LYS A CD   1 
ATOM   568  C CE   . LYS A 1 39  ? 5.26288  -5.50936 -7.20230  1.000 49.27300 ? 66  LYS A CE   1 
ATOM   569  N NZ   . LYS A 1 39  ? 6.65894  -5.65533 -6.70185  1.000 51.27131 ? 66  LYS A NZ   1 
ATOM   570  H H    . LYS A 1 39  ? 8.52940  -1.31738 -8.22089  1.000 17.02648 ? 66  LYS A H    1 
ATOM   571  H HA   . LYS A 1 39  ? 6.34729  -0.45441 -6.85236  1.000 16.36673 ? 66  LYS A HA   1 
ATOM   572  H HB2  . LYS A 1 39  ? 7.39588  -3.06409 -6.67957  1.000 18.27167 ? 66  LYS A HB2  1 
ATOM   573  H HB3  . LYS A 1 39  ? 6.24216  -2.50271 -5.74192  1.000 18.27167 ? 66  LYS A HB3  1 
ATOM   574  H HG2  . LYS A 1 39  ? 5.00598  -2.22894 -7.87135  1.000 23.43319 ? 66  LYS A HG2  1 
ATOM   575  H HG3  . LYS A 1 39  ? 6.03255  -3.31738 -8.40693  1.000 23.43319 ? 66  LYS A HG3  1 
ATOM   576  H HD2  . LYS A 1 39  ? 4.55619  -3.93406 -6.10139  1.000 36.55239 ? 66  LYS A HD2  1 
ATOM   577  H HD3  . LYS A 1 39  ? 3.83336  -4.07581 -7.50953  1.000 36.55239 ? 66  LYS A HD3  1 
ATOM   578  H HE2  . LYS A 1 39  ? 4.70581  -6.12778 -6.70417  1.000 59.17075 ? 66  LYS A HE2  1 
ATOM   579  H HE3  . LYS A 1 39  ? 5.26158  -5.74563 -8.14309  1.000 59.17075 ? 66  LYS A HE3  1 
ATOM   580  H HZ1  . LYS A 1 39  ? 7.15078  -4.96190 -6.96520  1.000 61.56872 ? 66  LYS A HZ1  1 
ATOM   581  H HZ2  . LYS A 1 39  ? 6.66144  -5.69007 -5.81253  1.000 61.56872 ? 66  LYS A HZ2  1 
ATOM   582  H HZ3  . LYS A 1 39  ? 7.02010  -6.40347 -7.02114  1.000 61.56872 ? 66  LYS A HZ3  1 
ATOM   583  N N    . TRP A 1 40  ? 7.62374  0.15921  -4.83815  1.000 11.95196 ? 67  TRP A N    1 
ATOM   584  C CA   . TRP A 1 40  ? 8.41488  0.69803  -3.73652  1.000 10.77387 ? 67  TRP A CA   1 
ATOM   585  C C    . TRP A 1 40  ? 7.75586  0.34645  -2.41192  1.000 10.71990 ? 67  TRP A C    1 
ATOM   586  O O    . TRP A 1 40  ? 6.55873  0.06741  -2.35312  1.000 11.65813 ? 67  TRP A O    1 
ATOM   587  C CB   . TRP A 1 40  ? 8.51497  2.20842  -3.82339  1.000 10.52210 ? 67  TRP A CB   1 
ATOM   588  C CG   . TRP A 1 40  ? 9.01165  2.71131  -5.06936  1.000 10.93404 ? 67  TRP A CG   1 
ATOM   589  C CD1  . TRP A 1 40  ? 8.27897  3.00974  -6.18429  1.000 13.79358 ? 67  TRP A CD1  1 
ATOM   590  C CD2  . TRP A 1 40  ? 10.37083 3.00647  -5.39008  1.000 10.49816 ? 67  TRP A CD2  1 
ATOM   591  N NE1  . TRP A 1 40  ? 9.09967  3.47792  -7.16552  1.000 19.28293 ? 67  TRP A NE1  1 
ATOM   592  C CE2  . TRP A 1 40  ? 10.39076 3.49033  -6.70291  1.000 12.98238 ? 67  TRP A CE2  1 
ATOM   593  C CE3  . TRP A 1 40  ? 11.57598 2.91233  -4.68980  1.000 9.55942  ? 67  TRP A CE3  1 
ATOM   594  C CZ2  . TRP A 1 40  ? 11.56782 3.87786  -7.33659  1.000 14.63242 ? 67  TRP A CZ2  1 
ATOM   595  C CZ3  . TRP A 1 40  ? 12.72612 3.32527  -5.30999  1.000 10.34493 ? 67  TRP A CZ3  1 
ATOM   596  C CH2  . TRP A 1 40  ? 12.71780 3.79051  -6.62109  1.000 11.49264 ? 67  TRP A CH2  1 
ATOM   597  H H    . TRP A 1 40  ? 6.80053  0.40602  -4.80638  1.000 14.12658 ? 67  TRP A H    1 
ATOM   598  H HA   . TRP A 1 40  ? 9.30181  0.30647  -3.76714  1.000 12.71287 ? 67  TRP A HA   1 
ATOM   599  H HB2  . TRP A 1 40  ? 7.63012  2.58302  -3.69069  1.000 12.41075 ? 67  TRP A HB2  1 
ATOM   600  H HB3  . TRP A 1 40  ? 9.11400  2.51719  -3.12574  1.000 12.41075 ? 67  TRP A HB3  1 
ATOM   601  H HD1  . TRP A 1 40  ? 7.35774  2.90827  -6.26134  1.000 16.59546 ? 67  TRP A HD1  1 
ATOM   602  H HE1  . TRP A 1 40  ? 8.84843  3.72604  -7.94968  1.000 23.18267 ? 67  TRP A HE1  1 
ATOM   603  H HE3  . TRP A 1 40  ? 11.59724 2.57709  -3.82258  1.000 11.25553 ? 67  TRP A HE3  1 
ATOM   604  H HZ2  . TRP A 1 40  ? 11.56638 4.18422  -8.21468  1.000 17.60206 ? 67  TRP A HZ2  1 
ATOM   605  H HZ3  . TRP A 1 40  ? 13.53031 3.29380  -4.84395  1.000 12.45707 ? 67  TRP A HZ3  1 
ATOM   606  H HH2  . TRP A 1 40  ? 13.51923 4.04776  -7.01662  1.000 13.83432 ? 67  TRP A HH2  1 
ATOM   607  N N    . CYS A 1 41  ? 8.53400  0.40284  -1.32401  1.000 9.82727  ? 68  CYS A N    1 
ATOM   608  C CA   . CYS A 1 41  ? 7.92744  0.43204  -0.00341  1.000 9.93961  ? 68  CYS A CA   1 
ATOM   609  C C    . CYS A 1 41  ? 8.83820  1.19659  0.93429   1.000 9.60154  ? 68  CYS A C    1 
ATOM   610  O O    . CYS A 1 41  ? 9.97509  1.54966  0.58117   1.000 9.32861  ? 68  CYS A O    1 
ATOM   611  C CB   . CYS A 1 41  ? 7.62959  -0.95623 0.53745   1.000 10.97055 ? 68  CYS A CB   1 
ATOM   612  S SG   . CYS A 1 41  ? 9.00607  -1.84415 1.12774   1.000 15.28942 ? 68  CYS A SG   1 
ATOM   613  H H    . CYS A 1 41  ? 9.39370  0.42431  -1.33229  1.000 11.57695 ? 68  CYS A H    1 
ATOM   614  H HA   . CYS A 1 41  ? 7.08169  0.90270  -0.06731  1.000 11.71176 ? 68  CYS A HA   1 
ATOM   615  H HB2  . CYS A 1 41  ? 7.00521  -0.86850 1.27457   1.000 13.20782 ? 68  CYS A HB2  1 
ATOM   616  H HB3  . CYS A 1 41  ? 7.23113  -1.48138 -0.17414  1.000 13.20782 ? 68  CYS A HB3  1 
ATOM   617  H HG   . CYS A 1 41  ? 8.62421  -2.85408 1.65140   1.000 18.39046 ? 68  CYS A HG   1 
ATOM   618  N N    . LEU A 1 42  ? 8.31995  1.46326  2.13213   1.000 9.15816  ? 69  LEU A N    1 
ATOM   619  C CA   . LEU A 1 42  ? 9.09824  2.14055  3.17056   1.000 8.40150  ? 69  LEU A CA   1 
ATOM   620  C C    . LEU A 1 42  ? 9.48665  1.13270  4.23951   1.000 9.03606  ? 69  LEU A C    1 
ATOM   621  O O    . LEU A 1 42  ? 8.76244  0.17312  4.48755   1.000 9.56210  ? 69  LEU A O    1 
ATOM   622  C CB   . LEU A 1 42  ? 8.29523  3.27284  3.78627   1.000 8.88919  ? 69  LEU A CB   1 
ATOM   623  C CG   . LEU A 1 42  ? 7.76749  4.32665  2.80830   1.000 9.41595  ? 69  LEU A CG   1 
ATOM   624  C CD1  . LEU A 1 42  ? 7.07620  5.46928  3.50366   1.000 10.82974 ? 69  LEU A CD1  1 
ATOM   625  C CD2  . LEU A 1 42  ? 8.88193  4.83455  1.94366   1.000 11.39793 ? 69  LEU A CD2  1 
ATOM   626  H H    . LEU A 1 42  ? 7.51794  1.26141  2.36802   1.000 10.77401 ? 69  LEU A H    1 
ATOM   627  H HA   . LEU A 1 42  ? 9.90888  2.51865  2.79532   1.000 9.86603  ? 69  LEU A HA   1 
ATOM   628  H HB2  . LEU A 1 42  ? 7.52725  2.88896  4.23764   1.000 10.45125 ? 69  LEU A HB2  1 
ATOM   629  H HB3  . LEU A 1 42  ? 8.86096  3.73213  4.42649   1.000 10.45125 ? 69  LEU A HB3  1 
ATOM   630  H HG   . LEU A 1 42  ? 7.09943  3.90135  2.24819   1.000 11.34230 ? 69  LEU A HG   1 
ATOM   631  H HD11 . LEU A 1 42  ? 6.77490  6.10787  2.83858   1.000 13.03884 ? 69  LEU A HD11 1 
ATOM   632  H HD12 . LEU A 1 42  ? 6.31686  5.12452  3.99907   1.000 13.03884 ? 69  LEU A HD12 1 
ATOM   633  H HD13 . LEU A 1 42  ? 7.70187  5.89442  4.11085   1.000 13.03884 ? 69  LEU A HD13 1 
ATOM   634  H HD21 . LEU A 1 42  ? 8.58167  5.62963  1.47614   1.000 13.72067 ? 69  LEU A HD21 1 
ATOM   635  H HD22 . LEU A 1 42  ? 9.64415  5.04844  2.50418   1.000 13.72067 ? 69  LEU A HD22 1 
ATOM   636  H HD23 . LEU A 1 42  ? 9.12424  4.14653  1.30427   1.000 13.72067 ? 69  LEU A HD23 1 
ATOM   637  N N    . ARG A 1 43  ? 10.61652 1.37884  4.90919   1.000 7.66580  ? 70  ARG A N    1 
ATOM   638  C CA   . ARG A 1 43  ? 11.03296 0.58942  6.05642   1.000 7.89021  ? 70  ARG A CA   1 
ATOM   639  C C    . ARG A 1 43  ? 11.42993 1.56220  7.14091   1.000 7.53742  ? 70  ARG A C    1 
ATOM   640  O O    . ARG A 1 43  ? 12.17088 2.50952  6.86260   1.000 8.95363  ? 70  ARG A O    1 
ATOM   641  C CB   . ARG A 1 43  ? 12.18996 -0.34943 5.71558   1.000 10.59800 ? 70  ARG A CB   1 
ATOM   642  C CG   . ARG A 1 43  ? 11.78116 -1.37942 4.63755   1.000 21.00600 ? 70  ARG A CG   1 
ATOM   643  C CD   . ARG A 1 43  ? 12.56212 -2.69025 4.76676   1.000 24.82777 ? 70  ARG A CD   1 
ATOM   644  N NE   . ARG A 1 43  ? 13.94687 -2.45506 4.38190   1.000 23.22630 ? 70  ARG A NE   1 
ATOM   645  C CZ   . ARG A 1 43  ? 14.69800 -3.27974 3.66085   1.000 19.89907 ? 70  ARG A CZ   1 
ATOM   646  N NH1  . ARG A 1 43  ? 14.24571 -4.45338 3.23648   1.000 25.83764 ? 70  ARG A NH1  1 
ATOM   647  N NH2  . ARG A 1 43  ? 15.93963 -2.90960 3.35686   1.000 16.95691 ? 70  ARG A NH2  1 
ATOM   648  H H    . ARG A 1 43  ? 11.16414 2.01103  4.70909   1.000 8.98319  ? 70  ARG A H    1 
ATOM   649  H HA   . ARG A 1 43  ? 10.30456 0.03072  6.36976   1.000 9.25247  ? 70  ARG A HA   1 
ATOM   650  H HB2  . ARG A 1 43  ? 12.93535 0.17000  5.37575   1.000 12.76075 ? 70  ARG A HB2  1 
ATOM   651  H HB3  . ARG A 1 43  ? 12.45793 -0.83142 6.51357   1.000 12.76075 ? 70  ARG A HB3  1 
ATOM   652  H HG2  . ARG A 1 43  ? 10.83663 -1.57999 4.72998   1.000 25.25035 ? 70  ARG A HG2  1 
ATOM   653  H HG3  . ARG A 1 43  ? 11.95704 -1.00821 3.75882   1.000 25.25035 ? 70  ARG A HG3  1 
ATOM   654  H HD2  . ARG A 1 43  ? 12.53802 -3.00053 5.68548   1.000 29.83647 ? 70  ARG A HD2  1 
ATOM   655  H HD3  . ARG A 1 43  ? 12.18087 -3.36175 4.17970   1.000 29.83647 ? 70  ARG A HD3  1 
ATOM   656  H HE   . ARG A 1 43  ? 14.30882 -1.72014 4.64360   1.000 27.91471 ? 70  ARG A HE   1 
ATOM   657  H HH11 . ARG A 1 43  ? 13.44406 -4.69967 3.42700   1.000 31.04832 ? 70  ARG A HH11 1 
ATOM   658  H HH12 . ARG A 1 43  ? 14.75433 -4.96744 2.77104   1.000 31.04832 ? 70  ARG A HH12 1 
ATOM   659  H HH21 . ARG A 1 43  ? 16.24013 -2.15022 3.62639   1.000 20.39144 ? 70  ARG A HH21 1 
ATOM   660  H HH22 . ARG A 1 43  ? 16.44150 -3.42978 2.89088   1.000 20.39144 ? 70  ARG A HH22 1 
ATOM   661  N N    . VAL A 1 44  ? 10.93513 1.36120  8.35369   1.000 8.38786  ? 71  VAL A N    1 
ATOM   662  C CA   A VAL A 1 44  ? 11.32455 2.20087  9.47976   0.584 8.28922  ? 71  VAL A CA   1 
ATOM   663  C CA   B VAL A 1 44  ? 11.31270 2.19933  9.48364   0.416 8.30055  ? 71  VAL A CA   1 
ATOM   664  C C    . VAL A 1 44  ? 11.87241 1.32211  10.59486  1.000 10.37691 ? 71  VAL A C    1 
ATOM   665  O O    . VAL A 1 44  ? 11.35149 0.23248  10.86058  1.000 9.86992  ? 71  VAL A O    1 
ATOM   666  C CB   A VAL A 1 44  ? 10.16622 3.07043  10.01657  0.584 14.84664 ? 71  VAL A CB   1 
ATOM   667  C CB   B VAL A 1 44  ? 10.10962 3.03099  9.97658   0.416 14.74741 ? 71  VAL A CB   1 
ATOM   668  C CG1  A VAL A 1 44  ? 9.55688  3.89569  8.90482   0.584 14.46246 ? 71  VAL A CG1  1 
ATOM   669  C CG1  B VAL A 1 44  ? 8.94658  2.12478  10.33223  0.416 16.08721 ? 71  VAL A CG1  1 
ATOM   670  C CG2  A VAL A 1 44  ? 9.13775  2.22168  10.72326  0.584 16.09142 ? 71  VAL A CG2  1 
ATOM   671  C CG2  B VAL A 1 44  ? 10.52028 3.90287  11.15108  0.416 14.77508 ? 71  VAL A CG2  1 
ATOM   672  H H    A VAL A 1 44  ? 10.37055 0.74306  8.55055   0.584 9.84965  ? 71  VAL A H    1 
ATOM   673  H H    B VAL A 1 44  ? 10.37368 0.73976  8.54910   0.416 9.84965  ? 71  VAL A H    1 
ATOM   674  H HA   A VAL A 1 44  ? 12.02695 2.79425  9.17083   0.584 9.73128  ? 71  VAL A HA   1 
ATOM   675  H HA   B VAL A 1 44  ? 12.01945 2.80685  9.21471   0.416 9.74488  ? 71  VAL A HA   1 
ATOM   676  H HB   A VAL A 1 44  ? 10.51698 3.69214  10.67334  0.584 17.85912 ? 71  VAL A HB   1 
ATOM   677  H HB   B VAL A 1 44  ? 9.81053  3.61834  9.26492   0.416 17.74005 ? 71  VAL A HB   1 
ATOM   678  H HG11 A VAL A 1 44  ? 8.59931  3.95822  9.04637   0.584 17.39810 ? 71  VAL A HG11 1 
ATOM   679  H HG11 B VAL A 1 44  ? 8.20015  2.66978  10.62671  0.416 19.34781 ? 71  VAL A HG11 1 
ATOM   680  H HG12 A VAL A 1 44  ? 9.95153  4.78170  8.91652   0.584 17.39810 ? 71  VAL A HG12 1 
ATOM   681  H HG12 B VAL A 1 44  ? 8.69350  1.61322  9.54791   0.416 19.34781 ? 71  VAL A HG12 1 
ATOM   682  H HG13 A VAL A 1 44  ? 9.73819  3.46401  8.05531   0.584 17.39810 ? 71  VAL A HG13 1 
ATOM   683  H HG13 B VAL A 1 44  ? 9.21960  1.52527  11.04423  0.416 19.34781 ? 71  VAL A HG13 1 
ATOM   684  H HG21 A VAL A 1 44  ? 8.33577  2.74893  10.86375  0.584 19.35285 ? 71  VAL A HG21 1 
ATOM   685  H HG21 B VAL A 1 44  ? 9.84336  4.58336  11.29113  0.416 17.77325 ? 71  VAL A HG21 1 
ATOM   686  H HG22 A VAL A 1 44  ? 8.93368  1.44933  10.17304  0.584 19.35285 ? 71  VAL A HG22 1 
ATOM   687  H HG22 B VAL A 1 44  ? 10.60081 3.34850  11.94297  0.416 17.77325 ? 71  VAL A HG22 1 
ATOM   688  H HG23 A VAL A 1 44  ? 9.49817  1.93396  11.57661  0.584 19.35285 ? 71  VAL A HG23 1 
ATOM   689  H HG23 B VAL A 1 44  ? 11.37276 4.32045  10.95154  0.416 17.77325 ? 71  VAL A HG23 1 
ATOM   690  N N    . ASN A 1 45  ? 12.95022 1.80340  11.23918  1.000 8.21302  ? 72  ASN A N    1 
ATOM   691  C CA   . ASN A 1 45  ? 13.39914 1.22921  12.49052  1.000 8.96216  ? 72  ASN A CA   1 
ATOM   692  C C    . ASN A 1 45  ? 12.96657 2.16744  13.59764  1.000 9.62921  ? 72  ASN A C    1 
ATOM   693  O O    . ASN A 1 45  ? 13.57307 3.24104  13.74731  1.000 8.88648  ? 72  ASN A O    1 
ATOM   694  C CB   . ASN A 1 45  ? 14.92891 1.04500  12.53860  1.000 8.18336  ? 72  ASN A CB   1 
ATOM   695  C CG   . ASN A 1 45  ? 15.46686 0.25782  11.38230  1.000 15.54770 ? 72  ASN A CG   1 
ATOM   696  O OD1  . ASN A 1 45  ? 15.81106 0.83475  10.32328  1.000 14.11487 ? 72  ASN A OD1  1 
ATOM   697  N ND2  . ASN A 1 45  ? 15.67886 -1.00477 11.60640  1.000 15.12686 ? 72  ASN A ND2  1 
ATOM   698  H H    . ASN A 1 45  ? 13.42896 2.46162  10.96140  1.000 9.63985  ? 72  ASN A H    1 
ATOM   699  H HA   . ASN A 1 45  ? 12.99901 0.35224  12.59874  1.000 10.53882 ? 72  ASN A HA   1 
ATOM   700  H HB2  . ASN A 1 45  ? 15.35103 1.91825  12.52649  1.000 9.60426  ? 72  ASN A HB2  1 
ATOM   701  H HB3  . ASN A 1 45  ? 15.16322 0.57453  13.35387  1.000 9.60426  ? 72  ASN A HB3  1 
ATOM   702  H HD21 . ASN A 1 45  ? 15.98721 -1.50683 10.97993  1.000 18.19539 ? 72  ASN A HD21 1 
ATOM   703  H HD22 . ASN A 1 45  ? 15.51080 -1.33813 12.38114  1.000 18.19539 ? 72  ASN A HD22 1 
ATOM   704  N N    . PRO A 1 46  ? 11.94577 1.81797  14.38959  1.000 9.64317  ? 73  PRO A N    1 
ATOM   705  C CA   . PRO A 1 46  ? 11.46740 2.73282  15.44098  1.000 10.04344 ? 73  PRO A CA   1 
ATOM   706  C C    . PRO A 1 46  ? 12.50617 3.05134  16.48458  1.000 11.52217 ? 73  PRO A C    1 
ATOM   707  O O    . PRO A 1 46  ? 12.49374 4.14380  17.07193  1.000 14.58141 ? 73  PRO A O    1 
ATOM   708  C CB   . PRO A 1 46  ? 10.28519 1.97883  16.05386  1.000 13.45731 ? 73  PRO A CB   1 
ATOM   709  C CG   . PRO A 1 46  ? 9.83242  1.01641  14.98965  1.000 17.42935 ? 73  PRO A CG   1 
ATOM   710  C CD   . PRO A 1 46  ? 11.09287 0.61901  14.25639  1.000 11.59987 ? 73  PRO A CD   1 
ATOM   711  H HA   . PRO A 1 46  ? 11.15462 3.55606  15.03435  1.000 11.83636 ? 73  PRO A HA   1 
ATOM   712  H HB2  . PRO A 1 46  ? 10.57437 1.50440  16.84897  1.000 16.19193 ? 73  PRO A HB2  1 
ATOM   713  H HB3  . PRO A 1 46  ? 9.57798  2.60339  16.27901  1.000 16.19193 ? 73  PRO A HB3  1 
ATOM   714  H HG2  . PRO A 1 46  ? 9.41229  0.24428  15.39976  1.000 20.95838 ? 73  PRO A HG2  1 
ATOM   715  H HG3  . PRO A 1 46  ? 9.20762  1.45546  14.39151  1.000 20.95838 ? 73  PRO A HG3  1 
ATOM   716  H HD2  . PRO A 1 46  ? 11.50921 -0.15061 14.67500  1.000 13.70408 ? 73  PRO A HD2  1 
ATOM   717  H HD3  . PRO A 1 46  ? 10.90582 0.42872  13.32382  1.000 13.70408 ? 73  PRO A HD3  1 
ATOM   718  N N    . LYS A 1 47  ? 13.42450 2.13951  16.73390  1.000 9.69738  ? 74  LYS A N    1 
ATOM   719  C CA   . LYS A 1 47  ? 14.47995 2.40556  17.70854  1.000 9.71799  ? 74  LYS A CA   1 
ATOM   720  C C    . LYS A 1 47  ? 15.85382 2.38883  17.06203  1.000 10.13765 ? 74  LYS A C    1 
ATOM   721  O O    . LYS A 1 47  ? 16.84002 1.99241  17.69714  1.000 12.18458 ? 74  LYS A O    1 
ATOM   722  C CB   . LYS A 1 47  ? 14.40123 1.40328  18.86470  1.000 12.04990 ? 74  LYS A CB   1 
ATOM   723  C CG   . LYS A 1 47  ? 13.22168 1.68690  19.77252  1.000 22.99316 ? 74  LYS A CG   1 
ATOM   724  C CD   . LYS A 1 47  ? 13.47394 1.20823  21.19246  1.000 32.49015 ? 74  LYS A CD   1 
ATOM   725  C CE   . LYS A 1 47  ? 12.39881 0.25779  21.65409  1.000 43.39780 ? 74  LYS A CE   1 
ATOM   726  N NZ   . LYS A 1 47  ? 11.66250 0.84023  22.80066  1.000 47.80455 ? 74  LYS A NZ   1 
ATOM   727  H H    . LYS A 1 47  ? 13.46247 1.36640  16.35912  1.000 11.59398 ? 74  LYS A H    1 
ATOM   728  H HA   . LYS A 1 47  ? 14.35034 3.29380  18.07614  1.000 11.44581 ? 74  LYS A HA   1 
ATOM   729  H HB2  . LYS A 1 47  ? 14.30101 0.50788  18.50537  1.000 14.49655 ? 74  LYS A HB2  1 
ATOM   730  H HB3  . LYS A 1 47  ? 15.21291 1.45991  19.39278  1.000 14.49655 ? 74  LYS A HB3  1 
ATOM   731  H HG2  . LYS A 1 47  ? 13.06054 2.64307  19.79868  1.000 27.63494 ? 74  LYS A HG2  1 
ATOM   732  H HG3  . LYS A 1 47  ? 12.43806 1.22760  19.43210  1.000 27.63494 ? 74  LYS A HG3  1 
ATOM   733  H HD2  . LYS A 1 47  ? 14.32587 0.74588  21.22912  1.000 39.03133 ? 74  LYS A HD2  1 
ATOM   734  H HD3  . LYS A 1 47  ? 13.48437 1.97099  21.79161  1.000 39.03133 ? 74  LYS A HD3  1 
ATOM   735  H HE2  . LYS A 1 47  ? 11.77221 0.09765  20.93116  1.000 52.12052 ? 74  LYS A HE2  1 
ATOM   736  H HE3  . LYS A 1 47  ? 12.80135 -0.57864 21.93561  1.000 52.12052 ? 74  LYS A HE3  1 
ATOM   737  H HZ1  . LYS A 1 47  ? 11.00676 0.29300  23.05096  1.000 57.40862 ? 74  LYS A HZ1  1 
ATOM   738  H HZ2  . LYS A 1 47  ? 12.21537 0.96163  23.48746  1.000 57.40862 ? 74  LYS A HZ2  1 
ATOM   739  H HZ3  . LYS A 1 47  ? 11.31163 1.62498  22.57012  1.000 57.40862 ? 74  LYS A HZ3  1 
ATOM   740  N N    . GLY A 1 48  ? 15.90285 2.76905  15.79224  1.000 9.17136  ? 75  GLY A N    1 
ATOM   741  C CA   . GLY A 1 48  ? 17.11982 2.97884  15.04874  1.000 7.51355  ? 75  GLY A CA   1 
ATOM   742  C C    . GLY A 1 48  ? 17.65526 1.71244  14.39538  1.000 7.97989  ? 75  GLY A C    1 
ATOM   743  O O    . GLY A 1 48  ? 17.37765 0.58960  14.79538  1.000 9.12746  ? 75  GLY A O    1 
ATOM   744  H H    . GLY A 1 48  ? 15.20096 2.91871  15.31838  1.000 11.04879 ? 75  GLY A H    1 
ATOM   745  H HA2  . GLY A 1 48  ? 16.95618 3.63208  14.35060  1.000 9.05941  ? 75  GLY A HA2  1 
ATOM   746  H HA3  . GLY A 1 48  ? 17.80216 3.32069  15.64745  1.000 9.05941  ? 75  GLY A HA3  1 
ATOM   747  N N    . LEU A 1 49  ? 18.46850 1.91525  13.37307  1.000 9.62911  ? 76  LEU A N    1 
ATOM   748  C CA   . LEU A 1 49  ? 19.06797 0.79330  12.65989  1.000 10.73977 ? 76  LEU A CA   1 
ATOM   749  C C    . LEU A 1 49  ? 20.11744 0.06568  13.49536  1.000 11.13896 ? 76  LEU A C    1 
ATOM   750  O O    . LEU A 1 49  ? 20.29588 -1.15125 13.37276  1.000 12.97849 ? 76  LEU A O    1 
ATOM   751  C CB   . LEU A 1 49  ? 19.71244 1.32012  11.39213  1.000 10.14849 ? 76  LEU A CB   1 
ATOM   752  C CG   . LEU A 1 49  ? 20.33603 0.29367  10.48657  1.000 12.28766 ? 76  LEU A CG   1 
ATOM   753  C CD1  . LEU A 1 49  ? 19.29138 -0.54709 9.83755   1.000 15.23699 ? 76  LEU A CD1  1 
ATOM   754  C CD2  . LEU A 1 49  ? 21.17714 0.96583  9.44458   1.000 22.33343 ? 76  LEU A CD2  1 
ATOM   755  H H    . LEU A 1 49  ? 18.69170 2.68839  13.06969  1.000 11.59808 ? 76  LEU A H    1 
ATOM   756  H HA   . LEU A 1 49  ? 18.37073 0.15404  12.44518  1.000 12.93088 ? 76  LEU A HA   1 
ATOM   757  H HB2  . LEU A 1 49  ? 19.03167 1.78042  10.87679  1.000 12.22134 ? 76  LEU A HB2  1 
ATOM   758  H HB3  . LEU A 1 49  ? 20.41304 1.94117  11.64582  1.000 12.22134 ? 76  LEU A HB3  1 
ATOM   759  H HG   . LEU A 1 49  ? 20.90266 -0.28814 11.01697  1.000 14.52941 ? 76  LEU A HG   1 
ATOM   760  H HD11 . LEU A 1 49  ? 19.71429 -1.13169 9.18926   1.000 18.32754 ? 76  LEU A HD11 1 
ATOM   761  H HD12 . LEU A 1 49  ? 18.84404 -1.07537 10.51703  1.000 18.32754 ? 76  LEU A HD12 1 
ATOM   762  H HD13 . LEU A 1 49  ? 18.65147 0.03113  9.39361   1.000 18.32754 ? 76  LEU A HD13 1 
ATOM   763  H HD21 . LEU A 1 49  ? 21.42774 0.31343  8.77192   1.000 26.84327 ? 76  LEU A HD21 1 
ATOM   764  H HD22 . LEU A 1 49  ? 20.66351 1.68062  9.03696   1.000 26.84327 ? 76  LEU A HD22 1 
ATOM   765  H HD23 . LEU A 1 49  ? 21.97200 1.32844  9.86601   1.000 26.84327 ? 76  LEU A HD23 1 
ATOM   766  N N    . ASP A 1 50  ? 20.86178 0.80514  14.29983  1.000 11.86617 ? 77  ASP A N    1 
ATOM   767  C CA   . ASP A 1 50  ? 22.03715 0.27827  14.94649  1.000 12.97657 ? 77  ASP A CA   1 
ATOM   768  C C    . ASP A 1 50  ? 22.38267 1.17945  16.12665  1.000 14.83071 ? 77  ASP A C    1 
ATOM   769  O O    . ASP A 1 50  ? 21.72626 2.18602  16.39088  1.000 11.00852 ? 77  ASP A O    1 
ATOM   770  C CB   . ASP A 1 50  ? 23.22787 0.19268  13.98778  1.000 14.74087 ? 77  ASP A CB   1 
ATOM   771  C CG   . ASP A 1 50  ? 23.52136 1.53182  13.28957  1.000 16.78058 ? 77  ASP A CG   1 
ATOM   772  O OD1  . ASP A 1 50  ? 23.18874 2.61744  13.83515  1.000 17.31304 ? 77  ASP A OD1  1 
ATOM   773  O OD2  . ASP A 1 50  ? 24.11388 1.50359  12.19193  1.000 18.58435 ? 77  ASP A OD2  1 
ATOM   774  H H    . ASP A 1 50  ? 20.69980 1.62873  14.48710  1.000 14.28256 ? 77  ASP A H    1 
ATOM   775  H HA   . ASP A 1 50  ? 21.82615 -0.61268 15.26677  1.000 15.35611 ? 77  ASP A HA   1 
ATOM   776  H HB2  . ASP A 1 50  ? 24.01845 -0.06587 14.48682  1.000 17.47328 ? 77  ASP A HB2  1 
ATOM   777  H HB3  . ASP A 1 50  ? 23.03679 -0.46771 13.30348  1.000 17.47328 ? 77  ASP A HB3  1 
ATOM   778  N N    . GLU A 1 51  ? 23.42549 0.79295  16.84300  1.000 14.76543 ? 78  GLU A N    1 
ATOM   779  C CA   . GLU A 1 51  ? 23.80491 1.51210  18.05368  1.000 15.17000 ? 78  GLU A CA   1 
ATOM   780  C C    . GLU A 1 51  ? 24.05783 2.98293  17.77106  1.000 14.09092 ? 78  GLU A C    1 
ATOM   781  O O    . GLU A 1 51  ? 23.63899 3.84352  18.55578  1.000 14.41512 ? 78  GLU A O    1 
ATOM   782  C CB   . GLU A 1 51  ? 25.05237 0.87152  18.64102  1.000 18.30171 ? 78  GLU A CB   1 
ATOM   783  C CG   . GLU A 1 51  ? 25.50421 1.44115  19.98180  1.000 27.33401 ? 78  GLU A CG   1 
ATOM   784  C CD   . GLU A 1 51  ? 24.58151 1.08729  21.11378  1.000 31.12109 ? 78  GLU A CD   1 
ATOM   785  O OE1  . GLU A 1 51  ? 23.68016 0.22777  20.92041  1.000 26.41485 ? 78  GLU A OE1  1 
ATOM   786  O OE2  . GLU A 1 51  ? 24.77839 1.64891  22.21374  1.000 41.94413 ? 78  GLU A OE2  1 
ATOM   787  H H    . GLU A 1 51  ? 23.92962 0.12217  16.65458  1.000 17.50274 ? 78  GLU A H    1 
ATOM   788  H HA   . GLU A 1 51  ? 23.08241 1.45301  18.69821  1.000 17.98823 ? 78  GLU A HA   1 
ATOM   789  H HB2  . GLU A 1 51  ? 24.87891 -0.07393 18.77115  1.000 21.74628 ? 78  GLU A HB2  1 
ATOM   790  H HB3  . GLU A 1 51  ? 25.78260 0.99161  18.01392  1.000 21.74628 ? 78  GLU A HB3  1 
ATOM   791  H HG2  . GLU A 1 51  ? 26.38356 1.09017  20.19265  1.000 32.84397 ? 78  GLU A HG2  1 
ATOM   792  H HG3  . GLU A 1 51  ? 25.53983 2.40832  19.91697  1.000 32.84397 ? 78  GLU A HG3  1 
ATOM   793  N N    . GLU A 1 52  ? 24.74970 3.28684  16.66785  1.000 14.61135 ? 79  GLU A N    1 
ATOM   794  C CA   . GLU A 1 52  ? 25.02941 4.67804  16.31069  1.000 14.48177 ? 79  GLU A CA   1 
ATOM   795  C C    . GLU A 1 52  ? 23.75233 5.49237  16.21791  1.000 13.77878 ? 79  GLU A C    1 
ATOM   796  O O    . GLU A 1 52  ? 23.74594 6.68559  16.56630  1.000 12.57763 ? 79  GLU A O    1 
ATOM   797  C CB   . GLU A 1 52  ? 25.77026 4.73893  14.96903  1.000 19.90030 ? 79  GLU A CB   1 
ATOM   798  C CG   . GLU A 1 52  ? 26.15478 6.16289  14.48805  1.000 29.50095 ? 79  GLU A CG   1 
ATOM   799  C CD   . GLU A 1 52  ? 27.04562 6.15641  13.23956  1.000 42.50625 ? 79  GLU A CD   1 
ATOM   800  O OE1  . GLU A 1 52  ? 28.00153 6.96771  13.17613  1.000 48.23718 ? 79  GLU A OE1  1 
ATOM   801  O OE2  . GLU A 1 52  ? 26.78304 5.35656  12.31348  1.000 42.02369 ? 79  GLU A OE2  1 
ATOM   802  H H    . GLU A 1 52  ? 25.06572 2.70995  16.11383  1.000 17.31784 ? 79  GLU A H    1 
ATOM   803  H HA   . GLU A 1 52  ? 25.59746 5.06427  16.99557  1.000 17.16236 ? 79  GLU A HA   1 
ATOM   804  H HB2  . GLU A 1 52  ? 26.59145 4.22898  15.04974  1.000 23.92351 ? 79  GLU A HB2  1 
ATOM   805  H HB3  . GLU A 1 52  ? 25.20186 4.34685  14.28778  1.000 23.92351 ? 79  GLU A HB3  1 
ATOM   806  H HG2  . GLU A 1 52  ? 25.34502 6.65230  14.27436  1.000 35.44429 ? 79  GLU A HG2  1 
ATOM   807  H HG3  . GLU A 1 52  ? 26.63818 6.61483  15.19726  1.000 35.44429 ? 79  GLU A HG3  1 
ATOM   808  N N    . SER A 1 53  ? 22.65133 4.87036  15.77737  1.000 10.65493 ? 80  SER A N    1 
ATOM   809  C CA   . SER A 1 53  ? 21.40364 5.59910  15.54212  1.000 9.09405  ? 80  SER A CA   1 
ATOM   810  C C    . SER A 1 53  ? 20.30599 5.26542  16.54702  1.000 8.31401  ? 80  SER A C    1 
ATOM   811  O O    . SER A 1 53  ? 19.12313 5.53019  16.27826  1.000 12.58495 ? 80  SER A O    1 
ATOM   812  C CB   . SER A 1 53  ? 20.87512 5.35889  14.12592  1.000 10.95335 ? 80  SER A CB   1 
ATOM   813  O OG   . SER A 1 53  ? 20.78628 3.97314  13.80656  1.000 12.95236 ? 80  SER A OG   1 
ATOM   814  H H    . SER A 1 53  ? 22.60538 4.02832  15.60871  1.000 12.57014 ? 80  SER A H    1 
ATOM   815  H HA   . SER A 1 53  ? 21.61753 6.54071  15.63444  1.000 10.69708 ? 80  SER A HA   1 
ATOM   816  H HB2  . SER A 1 53  ? 19.99026 5.74997  14.05544  1.000 13.18718 ? 80  SER A HB2  1 
ATOM   817  H HB3  . SER A 1 53  ? 21.47689 5.78385  13.49490  1.000 13.18718 ? 80  SER A HB3  1 
ATOM   818  H HG   . SER A 1 53  ? 21.55071 3.62526  13.82162  1.000 15.58599 ? 80  SER A HG   1 
ATOM   819  N N    . LYS A 1 54  ? 20.66661 4.74531  17.72430  1.000 9.25899  ? 81  LYS A N    1 
ATOM   820  C CA   . LYS A 1 54  ? 19.65942 4.26410  18.65323  1.000 10.69235 ? 81  LYS A CA   1 
ATOM   821  C C    . LYS A 1 54  ? 18.75659 5.36539  19.16817  1.000 13.22582 ? 81  LYS A C    1 
ATOM   822  O O    . LYS A 1 54  ? 17.71756 5.06097  19.76237  1.000 13.78518 ? 81  LYS A O    1 
ATOM   823  C CB   . LYS A 1 54  ? 20.29125 3.61575  19.87828  1.000 14.83962 ? 81  LYS A CB   1 
ATOM   824  C CG   . LYS A 1 54  ? 21.20196 4.56322  20.63458  1.000 19.38321 ? 81  LYS A CG   1 
ATOM   825  C CD   . LYS A 1 54  ? 21.66502 4.05035  22.02243  1.000 35.42453 ? 81  LYS A CD   1 
ATOM   826  C CE   . LYS A 1 54  ? 21.69248 2.53759  22.11017  1.000 36.01950 ? 81  LYS A CE   1 
ATOM   827  N NZ   . LYS A 1 54  ? 21.85756 2.06725  23.52227  1.000 58.21152 ? 81  LYS A NZ   1 
ATOM   828  H H    . LYS A 1 54  ? 21.47738 4.66369  17.99923  1.000 10.89502 ? 81  LYS A H    1 
ATOM   829  H HA   . LYS A 1 54  ? 19.14093 3.60469  18.16614  1.000 12.87398 ? 81  LYS A HA   1 
ATOM   830  H HB2  . LYS A 1 54  ? 19.58842 3.32789  20.48166  1.000 17.85070 ? 81  LYS A HB2  1 
ATOM   831  H HB3  . LYS A 1 54  ? 20.81890 2.85254  19.59545  1.000 17.85070 ? 81  LYS A HB3  1 
ATOM   832  H HG2  . LYS A 1 54  ? 21.99742 4.71813  20.10152  1.000 23.30301 ? 81  LYS A HG2  1 
ATOM   833  H HG3  . LYS A 1 54  ? 20.72950 5.39849  20.77598  1.000 23.30301 ? 81  LYS A HG3  1 
ATOM   834  H HD2  . LYS A 1 54  ? 22.56158 4.37668  22.19727  1.000 42.55259 ? 81  LYS A HD2  1 
ATOM   835  H HD3  . LYS A 1 54  ? 21.05433 4.37853  22.70085  1.000 42.55259 ? 81  LYS A HD3  1 
ATOM   836  H HE2  . LYS A 1 54  ? 20.85809 2.18165  21.76667  1.000 43.26655 ? 81  LYS A HE2  1 
ATOM   837  H HE3  . LYS A 1 54  ? 22.43708 2.19996  21.58818  1.000 43.26655 ? 81  LYS A HE3  1 
ATOM   838  H HZ1  . LYS A 1 54  ? 21.88469 1.17797  23.54570  1.000 69.89698 ? 81  LYS A HZ1  1 
ATOM   839  H HZ2  . LYS A 1 54  ? 22.61418 2.38839  23.86359  1.000 69.89698 ? 81  LYS A HZ2  1 
ATOM   840  H HZ3  . LYS A 1 54  ? 21.17449 2.34856  24.01863  1.000 69.89698 ? 81  LYS A HZ3  1 
ATOM   841  N N    . ASP A 1 55  ? 19.16309 6.62479  19.04124  1.000 11.10739 ? 82  ASP A N    1 
ATOM   842  C CA   . ASP A 1 55  ? 18.33888 7.73479  19.52685  1.000 10.30132 ? 82  ASP A CA   1 
ATOM   843  C C    . ASP A 1 55  ? 17.39411 8.26393  18.47339  1.000 9.96544  ? 82  ASP A C    1 
ATOM   844  O O    . ASP A 1 55  ? 16.66024 9.23023  18.75133  1.000 9.84789  ? 82  ASP A O    1 
ATOM   845  C CB   . ASP A 1 55  ? 19.22862 8.86190  20.01134  1.000 13.12771 ? 82  ASP A CB   1 
ATOM   846  C CG   . ASP A 1 55  ? 20.01976 8.47694  21.23626  1.000 23.91690 ? 82  ASP A CG   1 
ATOM   847  O OD1  . ASP A 1 55  ? 19.47237 7.73100  22.08190  1.000 23.90877 ? 82  ASP A OD1  1 
ATOM   848  O OD2  . ASP A 1 55  ? 21.17626 8.91434  21.32687  1.000 31.37895 ? 82  ASP A OD2  1 
ATOM   849  H H    . ASP A 1 55  ? 19.90648 6.86316  18.68047  1.000 13.37203 ? 82  ASP A H    1 
ATOM   850  H HA   . ASP A 1 55  ? 17.80805 7.42369  20.27674  1.000 12.40474 ? 82  ASP A HA   1 
ATOM   851  H HB2  . ASP A 1 55  ? 19.85463 9.09760  19.30888  1.000 15.79641 ? 82  ASP A HB2  1 
ATOM   852  H HB3  . ASP A 1 55  ? 18.67782 9.62818  20.23570  1.000 15.79641 ? 82  ASP A HB3  1 
ATOM   853  N N    . TYR A 1 56  ? 17.35646 7.61529  17.31582  1.000 9.10656  ? 83  TYR A N    1 
ATOM   854  C CA   . TYR A 1 56  ? 16.64845 8.09913  16.15149  1.000 7.50659  ? 83  TYR A CA   1 
ATOM   855  C C    . TYR A 1 56  ? 15.72730 7.02998  15.60481  1.000 7.66948  ? 83  TYR A C    1 
ATOM   856  O O    . TYR A 1 56  ? 15.95215 5.83129  15.76983  1.000 8.52657  ? 83  TYR A O    1 
ATOM   857  C CB   . TYR A 1 56  ? 17.60541 8.51915  15.01548  1.000 7.69667  ? 83  TYR A CB   1 
ATOM   858  C CG   . TYR A 1 56  ? 18.41446 9.72783  15.36812  1.000 9.06689  ? 83  TYR A CG   1 
ATOM   859  C CD1  . TYR A 1 56  ? 19.54322 9.61968  16.17559  1.000 10.49681 ? 83  TYR A CD1  1 
ATOM   860  C CD2  . TYR A 1 56  ? 18.04503 10.98576 14.90710  1.000 10.44663 ? 83  TYR A CD2  1 
ATOM   861  C CE1  . TYR A 1 56  ? 20.26497 10.75862 16.52013  1.000 11.41993 ? 83  TYR A CE1  1 
ATOM   862  C CE2  . TYR A 1 56  ? 18.79261 12.13136 15.23836  1.000 12.43696 ? 83  TYR A CE2  1 
ATOM   863  C CZ   . TYR A 1 56  ? 19.87546 11.99840 16.05698  1.000 12.83127 ? 83  TYR A CZ   1 
ATOM   864  O OH   . TYR A 1 56  ? 20.62046 13.10129 16.41158  1.000 16.25844 ? 83  TYR A OH   1 
ATOM   865  H H    . TYR A 1 56  ? 17.75088 6.86316  17.18037  1.000 10.97103 ? 83  TYR A H    1 
ATOM   866  H HA   . TYR A 1 56  ? 16.12124 8.86353  16.43192  1.000 8.79213  ? 83  TYR A HA   1 
ATOM   867  H HB2  . TYR A 1 56  ? 18.21753 7.78972  14.83071  1.000 9.02023  ? 83  TYR A HB2  1 
ATOM   868  H HB3  . TYR A 1 56  ? 17.08550 8.72481  14.22283  1.000 9.02023  ? 83  TYR A HB3  1 
ATOM   869  H HD1  . TYR A 1 56  ? 19.81516 8.78588  16.48497  1.000 12.63933 ? 83  TYR A HD1  1 
ATOM   870  H HD2  . TYR A 1 56  ? 17.29055 11.07211 14.37026  1.000 12.32018 ? 83  TYR A HD2  1 
ATOM   871  H HE1  . TYR A 1 56  ? 21.01430 10.68352 17.06581  1.000 13.48815 ? 83  TYR A HE1  1 
ATOM   872  H HE2  . TYR A 1 56  ? 18.55216 12.96540 14.90450  1.000 14.70858 ? 83  TYR A HE2  1 
ATOM   873  H HH   . TYR A 1 56  ? 20.27261 13.79701 16.09445  1.000 19.55329 ? 83  TYR A HH   1 
ATOM   874  N N    . LEU A 1 57  ? 14.70051 7.49617  14.90628  1.000 7.44988  ? 84  LEU A N    1 
ATOM   875  C CA   . LEU A 1 57  ? 13.99740 6.67964  13.94646  1.000 6.98318  ? 84  LEU A CA   1 
ATOM   876  C C    . LEU A 1 57  ? 14.77083 6.71583  12.64050  1.000 8.78885  ? 84  LEU A C    1 
ATOM   877  O O    . LEU A 1 57  ? 15.20311 7.79231  12.21073  1.000 7.79262  ? 84  LEU A O    1 
ATOM   878  C CB   . LEU A 1 57  ? 12.58310 7.22384  13.75906  1.000 9.68780  ? 84  LEU A CB   1 
ATOM   879  C CG   . LEU A 1 57  ? 11.62526 6.43000  12.92225  1.000 19.38456 ? 84  LEU A CG   1 
ATOM   880  C CD1  . LEU A 1 57  ? 10.27819 6.48966  13.65108  1.000 22.51169 ? 84  LEU A CD1  1 
ATOM   881  C CD2  . LEU A 1 57  ? 11.57074 7.02542  11.54323  1.000 20.64880 ? 84  LEU A CD2  1 
ATOM   882  H H    . LEU A 1 57  ? 14.39137 8.29570  14.97543  1.000 8.98301  ? 84  LEU A H    1 
ATOM   883  H HA   . LEU A 1 57  ? 13.92534 5.75941  14.24457  1.000 8.16404  ? 84  LEU A HA   1 
ATOM   884  H HB2  . LEU A 1 57  ? 12.18129 7.30709  14.63799  1.000 11.66851 ? 84  LEU A HB2  1 
ATOM   885  H HB3  . LEU A 1 57  ? 12.65686 8.09740  13.34391  1.000 11.66851 ? 84  LEU A HB3  1 
ATOM   886  H HG   . LEU A 1 57  ? 11.88329 5.50224  12.80570  1.000 23.30463 ? 84  LEU A HG   1 
ATOM   887  H HD11 . LEU A 1 57  ? 9.63650  5.94039  13.17417  1.000 27.05719 ? 84  LEU A HD11 1 
ATOM   888  H HD12 . LEU A 1 57  ? 10.39283 6.15551  14.55446  1.000 27.05719 ? 84  LEU A HD12 1 
ATOM   889  H HD13 . LEU A 1 57  ? 9.97260  7.40995  13.67509  1.000 27.05719 ? 84  LEU A HD13 1 
ATOM   890  H HD21 . LEU A 1 57  ? 10.93317 6.52659  11.00885  1.000 24.82172 ? 84  LEU A HD21 1 
ATOM   891  H HD22 . LEU A 1 57  ? 11.29267 7.95229  11.61021  1.000 24.82172 ? 84  LEU A HD22 1 
ATOM   892  H HD23 . LEU A 1 57  ? 12.45203 6.97269  11.14141  1.000 24.82172 ? 84  LEU A HD23 1 
ATOM   893  N N    . SER A 1 58  ? 15.00829 5.54004  12.05818  1.000 7.30281  ? 85  SER A N    1 
ATOM   894  C CA   . SER A 1 58  ? 15.64493 5.36728  10.76002  1.000 6.98884  ? 85  SER A CA   1 
ATOM   895  C C    . SER A 1 58  ? 14.57588 5.06366  9.72807   1.000 8.10510  ? 85  SER A C    1 
ATOM   896  O O    . SER A 1 58  ? 13.67792 4.24991  9.98612   1.000 9.93594  ? 85  SER A O    1 
ATOM   897  C CB   . SER A 1 58  ? 16.67221 4.23020  10.80689  1.000 8.59678  ? 85  SER A CB   1 
ATOM   898  O OG   . SER A 1 58  ? 17.51843 4.39349  11.91050  1.000 8.88380  ? 85  SER A OG   1 
ATOM   899  H H    . SER A 1 58  ? 14.79658 4.78840  12.41847  1.000 8.54760  ? 85  SER A H    1 
ATOM   900  H HA   . SER A 1 58  ? 16.10615 6.18162  10.50497  1.000 8.17084  ? 85  SER A HA   1 
ATOM   901  H HB2  . SER A 1 58  ? 16.20669 3.38274  10.88448  1.000 10.35929 ? 85  SER A HB2  1 
ATOM   902  H HB3  . SER A 1 58  ? 17.20149 4.24477  9.99415   1.000 10.35929 ? 85  SER A HB3  1 
ATOM   903  H HG   . SER A 1 58  ? 17.88440 5.14906  11.88261  1.000 10.70372 ? 85  SER A HG   1 
ATOM   904  N N    . LEU A 1 59  ? 14.62082 5.76037  8.60524   1.000 5.69195  ? 86  LEU A N    1 
ATOM   905  C CA   . LEU A 1 59  ? 13.57555 5.66757  7.58794   1.000 6.35750  ? 86  LEU A CA   1 
ATOM   906  C C    . LEU A 1 59  ? 14.18445 5.52727  6.20211   1.000 7.70364  ? 86  LEU A C    1 
ATOM   907  O O    . LEU A 1 59  ? 15.02139 6.32845  5.79701   1.000 5.31589  ? 86  LEU A O    1 
ATOM   908  C CB   . LEU A 1 59  ? 12.66775 6.89654  7.66030   1.000 6.09708  ? 86  LEU A CB   1 
ATOM   909  C CG   . LEU A 1 59  ? 11.56318 7.01136  6.65398   1.000 7.16116  ? 86  LEU A CG   1 
ATOM   910  C CD1  . LEU A 1 59  ? 10.60591 5.82775  6.62948   1.000 9.22515  ? 86  LEU A CD1  1 
ATOM   911  C CD2  . LEU A 1 59  ? 10.82412 8.33904  6.91506   1.000 9.76656  ? 86  LEU A CD2  1 
ATOM   912  H H    . LEU A 1 59  ? 15.25536 6.30411  8.40202   1.000 6.80633  ? 86  LEU A H    1 
ATOM   913  H HA   . LEU A 1 59  ? 13.04772 4.86756  7.73720   1.000 7.67215  ? 86  LEU A HA   1 
ATOM   914  H HB2  . LEU A 1 59  ? 12.24978 6.90354  8.53560   1.000 7.35966  ? 86  LEU A HB2  1 
ATOM   915  H HB3  . LEU A 1 59  ? 13.22601 7.68250  7.55294   1.000 7.35966  ? 86  LEU A HB3  1 
ATOM   916  H HG   . LEU A 1 59  ? 11.95174 7.00463  5.76523   1.000 8.63655  ? 86  LEU A HG   1 
ATOM   917  H HD11 . LEU A 1 59  ? 10.29889 5.68868  5.71992   1.000 11.11333 ? 86  LEU A HD11 1 
ATOM   918  H HD12 . LEU A 1 59  ? 11.07203 5.03802  6.94565   1.000 11.11333 ? 86  LEU A HD12 1 
ATOM   919  H HD13 . LEU A 1 59  ? 9.85114  6.02001  7.20762   1.000 11.11333 ? 86  LEU A HD13 1 
ATOM   920  H HD21 . LEU A 1 59  ? 10.09917 8.42775  6.27672   1.000 11.76303 ? 86  LEU A HD21 1 
ATOM   921  H HD22 . LEU A 1 59  ? 10.47046 8.33128  7.81826   1.000 11.76303 ? 86  LEU A HD22 1 
ATOM   922  H HD23 . LEU A 1 59  ? 11.44858 9.07391  6.81064   1.000 11.76303 ? 86  LEU A HD23 1 
ATOM   923  N N    . TYR A 1 60  ? 13.75742 4.49384  5.47630   1.000 4.72629  ? 87  TYR A N    1 
ATOM   924  C CA   . TYR A 1 60  ? 14.33755 4.15577  4.20478   0.932 5.24741  ? 87  TYR A CA   1 
ATOM   925  C C    . TYR A 1 60  ? 13.27352 3.87088  3.15788   0.920 5.10328  ? 87  TYR A C    1 
ATOM   926  O O    . TYR A 1 60  ? 12.19036 3.35665  3.46357   0.940 6.27168  ? 87  TYR A O    1 
ATOM   927  C CB   . TYR A 1 60  ? 15.22384 2.92536  4.31598   1.000 9.30446  ? 87  TYR A CB   1 
ATOM   928  C CG   . TYR A 1 60  ? 16.40210 3.10185  5.22712   1.000 8.08915  ? 87  TYR A CG   1 
ATOM   929  C CD1  . TYR A 1 60  ? 17.62182 3.56832  4.75045   1.000 8.49895  ? 87  TYR A CD1  1 
ATOM   930  C CD2  . TYR A 1 60  ? 16.28755 2.79158  6.57046   0.689 8.39168  ? 87  TYR A CD2  1 
ATOM   931  C CE1  . TYR A 1 60  ? 18.69559 3.72592  5.61731   1.000 8.11391  ? 87  TYR A CE1  1 
ATOM   932  C CE2  . TYR A 1 60  ? 17.34165 2.92168  7.42367   1.000 10.20718 ? 87  TYR A CE2  1 
ATOM   933  C CZ   . TYR A 1 60  ? 18.52175 3.40076  6.97481   1.000 9.67052  ? 87  TYR A CZ   1 
ATOM   934  O OH   . TYR A 1 60  ? 19.58403 3.53760  7.86384   0.713 12.11521 ? 87  TYR A OH   1 
ATOM   935  H H    . TYR A 1 60  ? 13.11855 3.97014  5.71542   1.000 5.45578  ? 87  TYR A H    1 
ATOM   936  H HA   . TYR A 1 60  ? 14.85400 4.92016  3.90498   0.688 6.34004  ? 87  TYR A HA   1 
ATOM   937  H HB2  . TYR A 1 60  ? 14.69289 2.18987  4.65955   1.000 11.20850 ? 87  TYR A HB2  1 
ATOM   938  H HB3  . TYR A 1 60  ? 15.56317 2.70601  3.43414   1.000 11.20850 ? 87  TYR A HB3  1 
ATOM   939  H HD1  . TYR A 1 60  ? 17.71908 3.77535  3.84902   1.000 10.24190 ? 87  TYR A HD1  1 
ATOM   940  H HD2  . TYR A 1 60  ? 15.47231 2.48723  6.89857   1.000 10.11317 ? 87  TYR A HD2  1 
ATOM   941  H HE1  . TYR A 1 60  ? 19.51368 4.04035  5.30624   1.000 9.77985  ? 87  TYR A HE1  1 
ATOM   942  H HE2  . TYR A 1 60  ? 17.24835 2.68010  8.31689   1.000 12.29177 ? 87  TYR A HE2  1 
ATOM   943  H HH   . TYR A 1 60  ? 20.26241 3.82324  7.45911   0.901 14.58141 ? 87  TYR A HH   1 
ATOM   944  N N    . LEU A 1 61  ? 13.62209 4.19306  1.91284   1.000 5.77392  ? 88  LEU A N    1 
ATOM   945  C CA   . LEU A 1 61  ? 12.86047 3.85104  0.72449   1.000 5.12082  ? 88  LEU A CA   1 
ATOM   946  C C    . LEU A 1 61  ? 13.47616 2.60397  0.10633   1.000 6.97788  ? 88  LEU A C    1 
ATOM   947  O O    . LEU A 1 61  ? 14.66972 2.58768  -0.19686  1.000 6.03962  ? 88  LEU A O    1 
ATOM   948  C CB   . LEU A 1 61  ? 12.89564 4.98823  -0.29554  1.000 4.71879  ? 88  LEU A CB   1 
ATOM   949  C CG   . LEU A 1 61  ? 12.26244 4.74877  -1.65045  1.000 7.35737  ? 88  LEU A CG   1 
ATOM   950  C CD1  . LEU A 1 61  ? 10.78668 4.49816  -1.48158  1.000 8.27777  ? 88  LEU A CD1  1 
ATOM   951  C CD2  . LEU A 1 61  ? 12.53045 5.93663  -2.54466  1.000 9.95594  ? 88  LEU A CD2  1 
ATOM   952  H H    . LEU A 1 61  ? 14.33623 4.63424  1.72586   1.000 6.97186  ? 88  LEU A H    1 
ATOM   953  H HA   . LEU A 1 61  ? 11.93563 3.68176  0.96307   1.000 6.18814  ? 88  LEU A HA   1 
ATOM   954  H HB2  . LEU A 1 61  ? 12.43754 5.74863  0.09539   1.000 5.70571  ? 88  LEU A HB2  1 
ATOM   955  H HB3  . LEU A 1 61  ? 13.82604 5.20915  -0.45818  1.000 5.70571  ? 88  LEU A HB3  1 
ATOM   956  H HG   . LEU A 1 61  ? 12.64423 3.96538  -2.07639  1.000 8.87200  ? 88  LEU A HG   1 
ATOM   957  H HD11 . LEU A 1 61  ? 10.37468 4.43579  -2.35752  1.000 9.97648  ? 88  LEU A HD11 1 
ATOM   958  H HD12 . LEU A 1 61  ? 10.66087 3.66738  -0.99695  1.000 9.97648  ? 88  LEU A HD12 1 
ATOM   959  H HD13 . LEU A 1 61  ? 10.39635 5.23370  -0.98406  1.000 9.97648  ? 88  LEU A HD13 1 
ATOM   960  H HD21 . LEU A 1 61  ? 12.12731 5.77616  -3.41220  1.000 11.99028 ? 88  LEU A HD21 1 
ATOM   961  H HD22 . LEU A 1 61  ? 12.14308 6.72924  -2.14142  1.000 11.99028 ? 88  LEU A HD22 1 
ATOM   962  H HD23 . LEU A 1 61  ? 13.48904 6.04938  -2.64113  1.000 11.99028 ? 88  LEU A HD23 1 
ATOM   963  N N    . LEU A 1 62  ? 12.68109 1.57454  -0.09034  1.000 6.19333  ? 89  LEU A N    1 
ATOM   964  C CA   . LEU A 1 62  ? 13.12980 0.31973  -0.66643  1.000 5.81939  ? 89  LEU A CA   1 
ATOM   965  C C    . LEU A 1 62  ? 12.51765 0.10864  -2.04647  1.000 7.51668  ? 89  LEU A C    1 
ATOM   966  O O    . LEU A 1 62  ? 11.30906 0.27985  -2.24092  1.000 6.46085  ? 89  LEU A O    1 
ATOM   967  C CB   . LEU A 1 62  ? 12.78830 -0.84916 0.25570   1.000 7.73484  ? 89  LEU A CB   1 
ATOM   968  C CG   . LEU A 1 62  ? 12.99716 -2.27707 -0.26204  1.000 8.64216  ? 89  LEU A CG   1 
ATOM   969  C CD1  . LEU A 1 62  ? 14.45125 -2.58868 -0.33412  1.000 11.35661 ? 89  LEU A CD1  1 
ATOM   970  C CD2  . LEU A 1 62  ? 12.28567 -3.18916 0.70155   1.000 12.51679 ? 89  LEU A CD2  1 
ATOM   971  H H    . LEU A 1 62  ? 11.84440 1.57561  0.10854   1.000 7.47515  ? 89  LEU A H    1 
ATOM   972  H HA   . LEU A 1 62  ? 14.09201 0.35428  -0.78415  1.000 7.02642  ? 89  LEU A HA   1 
ATOM   973  H HB2  . LEU A 1 62  ? 13.33441 -0.76188 1.05260   1.000 9.32496  ? 89  LEU A HB2  1 
ATOM   974  H HB3  . LEU A 1 62  ? 11.84931 -0.77409 0.48714   1.000 9.32496  ? 89  LEU A HB3  1 
ATOM   975  H HG   . LEU A 1 62  ? 12.64523 -2.39779 -1.15785  1.000 10.41374 ? 89  LEU A HG   1 
ATOM   976  H HD11 . LEU A 1 62  ? 14.56595 -3.47512 -0.71090  1.000 13.67109 ? 89  LEU A HD11 1 
ATOM   977  H HD12 . LEU A 1 62  ? 14.88766 -1.93073 -0.89762  1.000 13.67109 ? 89  LEU A HD12 1 
ATOM   978  H HD13 . LEU A 1 62  ? 14.82540 -2.55848 0.56031   1.000 13.67109 ? 89  LEU A HD13 1 
ATOM   979  H HD21 . LEU A 1 62  ? 12.62648 -4.09082 0.59314   1.000 15.06331 ? 89  LEU A HD21 1 
ATOM   980  H HD22 . LEU A 1 62  ? 12.44806 -2.88077 1.60677   1.000 15.06331 ? 89  LEU A HD22 1 
ATOM   981  H HD23 . LEU A 1 62  ? 11.33475 -3.16984 0.51111   1.000 15.06331 ? 89  LEU A HD23 1 
ATOM   982  N N    . LEU A 1 63  ? 13.35687 -0.23991 -3.02321  1.000 6.70527  ? 90  LEU A N    1 
ATOM   983  C CA   . LEU A 1 63  ? 12.86260 -0.62039 -4.34090  1.000 5.15470  ? 90  LEU A CA   1 
ATOM   984  C C    . LEU A 1 63  ? 12.50594 -2.10282 -4.30515  1.000 8.65738  ? 90  LEU A C    1 
ATOM   985  O O    . LEU A 1 63  ? 13.39893 -2.95079 -4.18866  1.000 10.19914 ? 90  LEU A O    1 
ATOM   986  C CB   . LEU A 1 63  ? 13.87849 -0.36203 -5.43159  1.000 7.29781  ? 90  LEU A CB   1 
ATOM   987  C CG   . LEU A 1 63  ? 13.41999 -0.75776 -6.84537  1.000 7.91002  ? 90  LEU A CG   1 
ATOM   988  C CD1  . LEU A 1 63  ? 12.20849 0.02811  -7.29947  1.000 9.07342  ? 90  LEU A CD1  1 
ATOM   989  C CD2  . LEU A 1 63  ? 14.54307 -0.57204 -7.87503  1.000 11.51533 ? 90  LEU A CD2  1 
ATOM   990  H H    . LEU A 1 63  ? 14.21293 -0.26269 -2.94419  1.000 8.08948  ? 90  LEU A H    1 
ATOM   991  H HA   . LEU A 1 63  ? 12.07472 -0.08865 -4.53428  1.000 6.13098  ? 90  LEU A HA   1 
ATOM   992  H HB2  . LEU A 1 63  ? 14.08102 0.58650  -5.44449  1.000 8.80052  ? 90  LEU A HB2  1 
ATOM   993  H HB3  . LEU A 1 63  ? 14.68033 -0.86978 -5.23123  1.000 8.80052  ? 90  LEU A HB3  1 
ATOM   994  H HG   . LEU A 1 63  ? 13.17762 -1.69596 -6.80135  1.000 9.38296  ? 90  LEU A HG   1 
ATOM   995  H HD11 . LEU A 1 63  ? 12.03042 -0.17626 -8.23082  1.000 10.93126 ? 90  LEU A HD11 1 
ATOM   996  H HD12 . LEU A 1 63  ? 11.44659 -0.22303 -6.75418  1.000 10.93126 ? 90  LEU A HD12 1 
ATOM   997  H HD13 . LEU A 1 63  ? 12.39024 0.97547  -7.19760  1.000 10.93126 ? 90  LEU A HD13 1 
ATOM   998  H HD21 . LEU A 1 63  ? 14.22093 -0.84885 -8.74710  1.000 13.86155 ? 90  LEU A HD21 1 
ATOM   999  H HD22 . LEU A 1 63  ? 14.79855 0.36342  -7.89841  1.000 13.86155 ? 90  LEU A HD22 1 
ATOM   1000 H HD23 . LEU A 1 63  ? 15.30293 -1.11605 -7.61512  1.000 13.86155 ? 90  LEU A HD23 1 
ATOM   1001 N N    . VAL A 1 64  ? 11.21177 -2.41564 -4.40882  1.000 7.64467  ? 91  VAL A N    1 
ATOM   1002 C CA   . VAL A 1 64  ? 10.74740 -3.78654 -4.29794  1.000 6.93447  ? 91  VAL A CA   1 
ATOM   1003 C C    . VAL A 1 64  ? 10.78022 -4.49681 -5.63262  1.000 9.56328  ? 91  VAL A C    1 
ATOM   1004 O O    . VAL A 1 64  ? 11.04664 -5.70233 -5.70114  1.000 13.52200 ? 91  VAL A O    1 
ATOM   1005 C CB   . VAL A 1 64  ? 9.32941  -3.81396 -3.70205  1.000 11.32593 ? 91  VAL A CB   1 
ATOM   1006 C CG1  . VAL A 1 64  ? 8.79197  -5.20876 -3.71008  1.000 14.05490 ? 91  VAL A CG1  1 
ATOM   1007 C CG2  . VAL A 1 64  ? 9.36326  -3.27096 -2.29035  1.000 13.57294 ? 91  VAL A CG2  1 
ATOM   1008 H H    . VAL A 1 64  ? 10.58377 -1.84391 -4.54426  1.000 9.21676  ? 91  VAL A H    1 
ATOM   1009 H HA   . VAL A 1 64  ? 11.34395 -4.25683 -3.69473  1.000 8.36452  ? 91  VAL A HA   1 
ATOM   1010 H HB   . VAL A 1 64  ? 8.74066  -3.25972 -4.23785  1.000 13.63427 ? 91  VAL A HB   1 
ATOM   1011 H HG11 . VAL A 1 64  ? 8.04193  -5.26172 -3.09727  1.000 16.90904 ? 91  VAL A HG11 1 
ATOM   1012 H HG12 . VAL A 1 64  ? 8.50122  -5.42999 -4.60864  1.000 16.90904 ? 91  VAL A HG12 1 
ATOM   1013 H HG13 . VAL A 1 64  ? 9.49213  -5.81859 -3.42940  1.000 16.90904 ? 91  VAL A HG13 1 
ATOM   1014 H HG21 . VAL A 1 64  ? 8.47749  -3.34538 -1.90204  1.000 16.33068 ? 91  VAL A HG21 1 
ATOM   1015 H HG22 . VAL A 1 64  ? 9.99757  -3.78703 -1.76860  1.000 16.33068 ? 91  VAL A HG22 1 
ATOM   1016 H HG23 . VAL A 1 64  ? 9.63590  -2.34043 -2.31636  1.000 16.33068 ? 91  VAL A HG23 1 
ATOM   1017 N N    . SER A 1 65  ? 10.45096 -3.80027 -6.71208  1.000 8.42776  ? 92  SER A N    1 
ATOM   1018 C CA   . SER A 1 65  ? 10.48102 -4.43037 -8.01898  1.000 10.38619 ? 92  SER A CA   1 
ATOM   1019 C C    . SER A 1 65  ? 10.78020 -3.40927 -9.09549  1.000 12.52730 ? 92  SER A C    1 
ATOM   1020 O O    . SER A 1 65  ? 10.23786 -2.30368 -9.08637  1.000 10.71579 ? 92  SER A O    1 
ATOM   1021 C CB   . SER A 1 65  ? 9.14387  -5.11133 -8.33221  1.000 16.51232 ? 92  SER A CB   1 
ATOM   1022 O OG   . SER A 1 65  ? 9.18395  -5.81937 -9.56871  1.000 16.59371 ? 92  SER A OG   1 
ATOM   1023 H H    . SER A 1 65  ? 10.21080 -2.97448 -6.71134  1.000 9.89754  ? 92  SER A H    1 
ATOM   1024 H HA   . SER A 1 65  ? 11.19480 -5.08716 -8.02551  1.000 12.27570 ? 92  SER A HA   1 
ATOM   1025 H HB2  . SER A 1 65  ? 8.93949  -5.73827 -7.62083  1.000 19.85794 ? 92  SER A HB2  1 
ATOM   1026 H HB3  . SER A 1 65  ? 8.45324  -4.43220 -8.38448  1.000 19.85794 ? 92  SER A HB3  1 
ATOM   1027 H HG   . SER A 1 65  ? 9.27624  -5.27982 -10.20587 1.000 19.95561 ? 92  SER A HG   1 
ATOM   1028 N N    . CYS A 1 66  ? 11.63416 -3.79461 -10.03372 1.000 13.00566 ? 93  CYS A N    1 
ATOM   1029 C CA   . CYS A 1 66  ? 11.78338 -2.99803 -11.23625 1.000 14.46402 ? 93  CYS A CA   1 
ATOM   1030 C C    . CYS A 1 66  ? 11.96690 -3.95942 -12.39833 1.000 17.07526 ? 93  CYS A C    1 
ATOM   1031 O O    . CYS A 1 66  ? 12.43824 -5.08450 -12.21253 1.000 17.67476 ? 93  CYS A O    1 
ATOM   1032 C CB   . CYS A 1 66  ? 12.95812 -2.01557 -11.17079 1.000 18.95931 ? 93  CYS A CB   1 
ATOM   1033 S SG   . CYS A 1 66  ? 14.58539 -2.77866 -10.93768 1.000 20.55108 ? 93  CYS A SG   1 
ATOM   1034 H H    . CYS A 1 66  ? 12.12608 -4.49893 -9.99433  1.000 15.39102 ? 93  CYS A H    1 
ATOM   1035 H HA   . CYS A 1 66  ? 10.98898 -2.45967 -11.37765 1.000 17.14104 ? 93  CYS A HA   1 
ATOM   1036 H HB2  . CYS A 1 66  ? 12.98742 -1.51687 -12.00226 1.000 22.79433 ? 93  CYS A HB2  1 
ATOM   1037 H HB3  . CYS A 1 66  ? 12.81124 -1.41120 -10.42644 1.000 22.79433 ? 93  CYS A HB3  1 
ATOM   1038 H HG   . CYS A 1 66  ? 14.77750 -3.56696 -11.82181 1.000 24.70445 ? 93  CYS A HG   1 
ATOM   1039 N N    . PRO A 1 67  ? 11.58511 -3.55038 -13.60088 1.000 18.89389 ? 94  PRO A N    1 
ATOM   1040 C CA   . PRO A 1 67  ? 11.59697 -4.50087 -14.72439 1.000 21.74920 ? 94  PRO A CA   1 
ATOM   1041 C C    . PRO A 1 67  ? 12.95879 -4.70095 -15.36137 1.000 23.71250 ? 94  PRO A C    1 
ATOM   1042 O O    . PRO A 1 67  ? 13.13632 -5.70375 -16.07031 1.000 26.74468 ? 94  PRO A O    1 
ATOM   1043 C CB   . PRO A 1 67  ? 10.61281 -3.87173 -15.72397 1.000 31.89149 ? 94  PRO A CB   1 
ATOM   1044 C CG   . PRO A 1 67  ? 10.60909 -2.45330 -15.40929 1.000 29.53825 ? 94  PRO A CG   1 
ATOM   1045 C CD   . PRO A 1 67  ? 10.93908 -2.28212 -13.94696 1.000 18.61556 ? 94  PRO A CD   1 
ATOM   1046 H HA   . PRO A 1 67  ? 11.25701 -5.36072 -14.43115 1.000 25.88327 ? 94  PRO A HA   1 
ATOM   1047 H HB2  . PRO A 1 67  ? 10.92087 -4.02496 -16.63090 1.000 38.31294 ? 94  PRO A HB2  1 
ATOM   1048 H HB3  . PRO A 1 67  ? 9.73024  -4.25590 -15.60402 1.000 38.31294 ? 94  PRO A HB3  1 
ATOM   1049 H HG2  . PRO A 1 67  ? 11.27505 -2.00715 -15.95550 1.000 35.48905 ? 94  PRO A HG2  1 
ATOM   1050 H HG3  . PRO A 1 67  ? 9.72915  -2.09077 -15.59687 1.000 35.48905 ? 94  PRO A HG3  1 
ATOM   1051 H HD2  . PRO A 1 67  ? 11.54611 -1.53727 -13.81429 1.000 22.12290 ? 94  PRO A HD2  1 
ATOM   1052 H HD3  . PRO A 1 67  ? 10.13303 -2.15047 -13.42364 1.000 22.12290 ? 94  PRO A HD3  1 
ATOM   1053 N N    . LYS A 1 68  ? 13.91540 -3.79542 -15.15102 1.000 23.09563 ? 95  LYS A N    1 
ATOM   1054 C CA   . LYS A 1 68  ? 15.26868 -3.95198 -15.69253 1.000 25.24493 ? 95  LYS A CA   1 
ATOM   1055 C C    . LYS A 1 68  ? 16.25246 -4.00691 -14.52234 1.000 34.75119 ? 95  LYS A C    1 
ATOM   1056 O O    . LYS A 1 68  ? 15.98068 -4.70833 -13.54642 1.000 34.18674 ? 95  LYS A O    1 
ATOM   1057 C CB   . LYS A 1 68  ? 15.57481 -2.83727 -16.69096 1.000 26.88483 ? 95  LYS A CB   1 
ATOM   1058 C CG   . LYS A 1 68  ? 15.09562 -3.14831 -18.11472 1.000 30.02283 ? 95  LYS A CG   1 
ATOM   1059 C CD   . LYS A 1 68  ? 15.69922 -4.43417 -18.70500 1.000 32.94281 ? 95  LYS A CD   1 
ATOM   1060 C CE   . LYS A 1 68  ? 16.39949 -4.20701 -20.05292 1.000 42.09158 ? 95  LYS A CE   1 
ATOM   1061 N NZ   . LYS A 1 68  ? 16.51043 -5.46045 -20.88774 1.000 40.28357 ? 95  LYS A NZ   1 
ATOM   1062 H H    . LYS A 1 68  ? 13.80638 -3.07496 -14.69423 1.000 27.49898 ? 95  LYS A H    1 
ATOM   1063 H HA   . LYS A 1 68  ? 15.36278 -4.77616 -16.19531 1.000 30.07814 ? 95  LYS A HA   1 
ATOM   1064 H HB2  . LYS A 1 68  ? 15.13297 -2.02469 -16.39873 1.000 32.04602 ? 95  LYS A HB2  1 
ATOM   1065 H HB3  . LYS A 1 68  ? 16.53451 -2.69996 -16.72292 1.000 32.04602 ? 95  LYS A HB3  1 
ATOM   1066 H HG2  . LYS A 1 68  ? 14.13131 -3.25265 -18.10421 1.000 35.81163 ? 95  LYS A HG2  1 
ATOM   1067 H HG3  . LYS A 1 68  ? 15.34334 -2.41215 -18.69576 1.000 35.81163 ? 95  LYS A HG3  1 
ATOM   1068 H HD2  . LYS A 1 68  ? 16.35505 -4.78839 -18.08427 1.000 39.31560 ? 95  LYS A HD2  1 
ATOM   1069 H HD3  . LYS A 1 68  ? 14.98969 -5.08105 -18.84292 1.000 39.31560 ? 95  LYS A HD3  1 
ATOM   1070 H HE2  . LYS A 1 68  ? 15.89516 -3.55388 -20.56279 1.000 50.55305 ? 95  LYS A HE2  1 
ATOM   1071 H HE3  . LYS A 1 68  ? 17.29734 -3.87850 -19.88904 1.000 50.55305 ? 95  LYS A HE3  1 
ATOM   1072 H HZ1  . LYS A 1 68  ? 16.93169 -5.28152 -21.65103 1.000 48.12451 ? 95  LYS A HZ1  1 
ATOM   1073 H HZ2  . LYS A 1 68  ? 16.96769 -6.08204 -20.44430 1.000 48.12451 ? 95  LYS A HZ2  1 
ATOM   1074 H HZ3  . LYS A 1 68  ? 15.69898 -5.77579 -21.07272 1.000 48.12451 ? 95  LYS A HZ3  1 
ATOM   1075 N N    . SER A 1 69  ? 17.38600 -3.30280 -14.57323 1.000 24.28220 ? 96  SER A N    1 
ATOM   1076 C CA   . SER A 1 69  ? 18.42629 -3.54844 -13.58170 1.000 23.55049 ? 96  SER A CA   1 
ATOM   1077 C C    . SER A 1 69  ? 18.55893 -2.47189 -12.52980 1.000 30.52328 ? 96  SER A C    1 
ATOM   1078 O O    . SER A 1 69  ? 18.90312 -2.77892 -11.38726 1.000 29.30496 ? 96  SER A O    1 
ATOM   1079 C CB   . SER A 1 69  ? 19.80250 -3.72278 -14.25012 1.000 30.66277 ? 96  SER A CB   1 
ATOM   1080 O OG   . SER A 1 69  ? 20.20924 -2.53396 -14.87764 1.000 39.35444 ? 96  SER A OG   1 
ATOM   1081 H H    . SER A 1 69  ? 17.56673 -2.69684 -15.15610 1.000 28.92286 ? 96  SER A H    1 
ATOM   1082 H HA   . SER A 1 69  ? 18.19999 -4.37882 -13.13431 1.000 28.04482 ? 96  SER A HA   1 
ATOM   1083 H HB2  . SER A 1 69  ? 20.45445 -3.96085 -13.57249 1.000 36.83848 ? 96  SER A HB2  1 
ATOM   1084 H HB3  . SER A 1 69  ? 19.74331 -4.42633 -14.91526 1.000 36.83848 ? 96  SER A HB3  1 
ATOM   1085 H HG   . SER A 1 69  ? 20.96428 -2.63910 -15.23042 1.000 47.26849 ? 96  SER A HG   1 
ATOM   1086 N N    . GLU A 1 70  ? 18.27315 -1.22967 -12.87451 1.000 20.68536 ? 97  GLU A N    1 
ATOM   1087 C CA   . GLU A 1 70  ? 18.56898 -0.12867 -11.95983 1.000 20.61924 ? 97  GLU A CA   1 
ATOM   1088 C C    . GLU A 1 70  ? 17.64594 1.03489  -12.22973 1.000 20.01126 ? 97  GLU A C    1 
ATOM   1089 O O    . GLU A 1 70  ? 17.22421 1.27705  -13.36478 1.000 20.97360 ? 97  GLU A O    1 
ATOM   1090 C CB   . GLU A 1 70  ? 20.04689 0.25336  -12.07854 1.000 26.82899 ? 97  GLU A CB   1 
ATOM   1091 C CG   . GLU A 1 70  ? 20.37640 1.35490  -13.03026 1.000 31.87052 ? 97  GLU A CG   1 
ATOM   1092 C CD   . GLU A 1 70  ? 21.83249 1.29429  -13.50059 1.000 39.66425 ? 97  GLU A CD   1 
ATOM   1093 O OE1  . GLU A 1 70  ? 22.73261 1.72292  -12.75439 1.000 38.92331 ? 97  GLU A OE1  1 
ATOM   1094 O OE2  . GLU A 1 70  ? 22.07644 0.82984  -14.64151 1.000 53.63254 ? 97  GLU A OE2  1 
ATOM   1095 H H    . GLU A 1 70  ? 17.91317 -0.99597 -13.61976 1.000 24.72043 ? 97  GLU A H    1 
ATOM   1096 H HA   . GLU A 1 70  ? 18.39055 -0.38350 -11.04107 1.000 24.78624 ? 97  GLU A HA   1 
ATOM   1097 H HB2  . GLU A 1 70  ? 20.35697 0.53217  -11.20275 1.000 32.23794 ? 97  GLU A HB2  1 
ATOM   1098 H HB3  . GLU A 1 70  ? 20.53793 -0.53066 -12.37024 1.000 32.23794 ? 97  GLU A HB3  1 
ATOM   1099 H HG2  . GLU A 1 70  ? 19.80340 1.28445  -13.80975 1.000 38.28778 ? 97  GLU A HG2  1 
ATOM   1100 H HG3  . GLU A 1 70  ? 20.23553 2.20819  -12.59098 1.000 38.28778 ? 97  GLU A HG3  1 
ATOM   1101 N N    . VAL A 1 71  ? 17.34737 1.75991  -11.14841 1.000 15.09237 ? 98  VAL A N    1 
ATOM   1102 C CA   . VAL A 1 71  ? 16.42897 2.88861  -11.14718 1.000 17.52716 ? 98  VAL A CA   1 
ATOM   1103 C C    . VAL A 1 71  ? 17.13762 4.04536  -10.46972 1.000 15.96829 ? 98  VAL A C    1 
ATOM   1104 O O    . VAL A 1 71  ? 17.67552 3.88240  -9.37068  1.000 17.04918 ? 98  VAL A O    1 
ATOM   1105 C CB   . VAL A 1 71  ? 15.13983 2.54835  -10.38829 1.000 18.78980 ? 98  VAL A CB   1 
ATOM   1106 C CG1  . VAL A 1 71  ? 14.30439 3.77660  -10.15740 1.000 15.84516 ? 98  VAL A CG1  1 
ATOM   1107 C CG2  . VAL A 1 71  ? 14.36529 1.48915  -11.13849 1.000 19.43249 ? 98  VAL A CG2  1 
ATOM   1108 H H    . VAL A 1 71  ? 17.68234 1.60576  -10.37148 1.000 18.15400 ? 98  VAL A H    1 
ATOM   1109 H HA   . VAL A 1 71  ? 16.20218 3.13961  -12.05629 1.000 21.07575 ? 98  VAL A HA   1 
ATOM   1110 H HB   . VAL A 1 71  ? 15.37063 2.19553  -9.51471  1.000 22.59092 ? 98  VAL A HB   1 
ATOM   1111 H HG11 . VAL A 1 71  ? 13.39361 3.50671  -9.96105  1.000 19.05735 ? 98  VAL A HG11 1 
ATOM   1112 H HG12 . VAL A 1 71  ? 14.67135 4.27194  -9.40848  1.000 19.05735 ? 98  VAL A HG12 1 
ATOM   1113 H HG13 . VAL A 1 71  ? 14.32168 4.32522  -10.95716 1.000 19.05735 ? 98  VAL A HG13 1 
ATOM   1114 H HG21 . VAL A 1 71  ? 13.54058 1.30441  -10.66245 1.000 23.36215 ? 98  VAL A HG21 1 
ATOM   1115 H HG22 . VAL A 1 71  ? 14.16660 1.81532  -12.03014 1.000 23.36215 ? 98  VAL A HG22 1 
ATOM   1116 H HG23 . VAL A 1 71  ? 14.90322 0.68383  -11.19310 1.000 23.36215 ? 98  VAL A HG23 1 
ATOM   1117 N N    . ARG A 1 72  ? 17.13470 5.21591  -11.10118 1.000 13.46623 ? 99  ARG A N    1 
ATOM   1118 C CA   . ARG A 1 72  ? 17.63557 6.42033  -10.45164 1.000 12.97073 ? 99  ARG A CA   1 
ATOM   1119 C C    . ARG A 1 72  ? 16.44025 7.22483  -9.94728  1.000 12.52878 ? 99  ARG A C    1 
ATOM   1120 O O    . ARG A 1 72  ? 15.53779 7.55838  -10.71877 1.000 13.98295 ? 99  ARG A O    1 
ATOM   1121 C CB   . ARG A 1 72  ? 18.48264 7.24084  -11.41501 1.000 21.39016 ? 99  ARG A CB   1 
ATOM   1122 C CG   . ARG A 1 72  ? 19.92837 6.74524  -11.50468 1.000 18.86616 ? 99  ARG A CG   1 
ATOM   1123 C CD   . ARG A 1 72  ? 20.72241 7.55762  -12.52834 1.000 30.91916 ? 99  ARG A CD   1 
ATOM   1124 N NE   . ARG A 1 72  ? 19.96070 7.78355  -13.74952 1.000 37.63556 ? 99  ARG A NE   1 
ATOM   1125 C CZ   . ARG A 1 72  ? 19.65518 6.83380  -14.62271 1.000 37.45092 ? 99  ARG A CZ   1 
ATOM   1126 N NH1  . ARG A 1 72  ? 20.09527 5.58996  -14.47648 1.000 36.42427 ? 99  ARG A NH1  1 
ATOM   1127 N NH2  . ARG A 1 72  ? 18.88571 7.13755  -15.66832 1.000 41.16727 ? 99  ARG A NH2  1 
ATOM   1128 H H    . ARG A 1 72  ? 16.84836 5.33552  -11.90324 1.000 15.94370 ? 99  ARG A H    1 
ATOM   1129 H HA   . ARG A 1 72  ? 18.19261 6.18526  -9.69313  1.000 15.34910 ? 99  ARG A HA   1 
ATOM   1130 H HB2  . ARG A 1 72  ? 18.09202 7.18876  -12.30135 1.000 25.71134 ? 99  ARG A HB2  1 
ATOM   1131 H HB3  . ARG A 1 72  ? 18.49955 8.16265  -11.11355 1.000 25.71134 ? 99  ARG A HB3  1 
ATOM   1132 H HG2  . ARG A 1 72  ? 20.35659 6.83887  -10.63937 1.000 22.68255 ? 99  ARG A HG2  1 
ATOM   1133 H HG3  . ARG A 1 72  ? 19.93487 5.81489  -11.77912 1.000 22.68255 ? 99  ARG A HG3  1 
ATOM   1134 H HD2  . ARG A 1 72  ? 20.94733 8.42057  -12.14674 1.000 37.14614 ? 99  ARG A HD2  1 
ATOM   1135 H HD3  . ARG A 1 72  ? 21.53198 7.07620  -12.76014 1.000 37.14614 ? 99  ARG A HD3  1 
ATOM   1136 H HE   . ARG A 1 72  ? 19.69219 8.58374  -13.91444 1.000 45.20582 ? 99  ARG A HE   1 
ATOM   1137 H HH11 . ARG A 1 72  ? 20.59029 5.38528  -13.80368 1.000 43.75228 ? 99  ARG A HH11 1 
ATOM   1138 H HH12 . ARG A 1 72  ? 19.88537 4.98881  -15.05455 1.000 43.75228 ? 99  ARG A HH12 1 
ATOM   1139 H HH21 . ARG A 1 72  ? 18.59473 7.94051  -15.76923 1.000 49.44388 ? 99  ARG A HH21 1 
ATOM   1140 H HH22 . ARG A 1 72  ? 18.68035 6.53051  -16.24184 1.000 49.44388 ? 99  ARG A HH22 1 
ATOM   1141 N N    . ALA A 1 73  ? 16.43972 7.53828  -8.67239  1.000 10.92974 ? 100 ALA A N    1 
ATOM   1142 C CA   . ALA A 1 73  ? 15.30163 8.18271  -8.06250  1.000 12.54863 ? 100 ALA A CA   1 
ATOM   1143 C C    . ALA A 1 73  ? 15.73340 9.15639  -6.98919  1.000 9.74048  ? 100 ALA A C    1 
ATOM   1144 O O    . ALA A 1 73  ? 16.62827 8.86618  -6.18814  1.000 9.26146  ? 100 ALA A O    1 
ATOM   1145 C CB   . ALA A 1 73  ? 14.35748 7.15601  -7.42183  1.000 11.74776 ? 100 ALA A CB   1 
ATOM   1146 H H    . ALA A 1 73  ? 17.09293 7.38672  -8.13392  1.000 12.89992 ? 100 ALA A H    1 
ATOM   1147 H HA   . ALA A 1 73  ? 14.83798 8.68041  -8.75404  1.000 15.10151 ? 100 ALA A HA   1 
ATOM   1148 H HB1  . ALA A 1 73  ? 13.58935 7.62001  -7.05362  1.000 14.14047 ? 100 ALA A HB1  1 
ATOM   1149 H HB2  . ALA A 1 73  ? 14.06915 6.52563  -8.10036  1.000 14.14047 ? 100 ALA A HB2  1 
ATOM   1150 H HB3  . ALA A 1 73  ? 14.83119 6.68866  -6.71608  1.000 14.14047 ? 100 ALA A HB3  1 
ATOM   1151 N N    . LYS A 1 74  ? 15.03995 10.29269 -6.94688  1.000 10.39900 ? 101 LYS A N    1 
ATOM   1152 C CA   . LYS A 1 74  ? 15.08937 11.24262 -5.84067  1.000 9.97805  ? 101 LYS A CA   1 
ATOM   1153 C C    . LYS A 1 74  ? 13.93196 10.93318 -4.90660  1.000 8.52323  ? 101 LYS A C    1 
ATOM   1154 O O    . LYS A 1 74  ? 12.90896 10.38872 -5.33117  1.000 10.24793 ? 101 LYS A O    1 
ATOM   1155 C CB   . LYS A 1 74  ? 14.96438 12.68442 -6.36904  1.000 12.25752 ? 101 LYS A CB   1 
ATOM   1156 C CG   . LYS A 1 74  ? 16.07030 13.15527 -7.24038  1.000 19.93721 ? 101 LYS A CG   1 
ATOM   1157 C CD   . LYS A 1 74  ? 15.99281 14.66950 -7.51293  1.000 24.31062 ? 101 LYS A CD   1 
ATOM   1158 C CE   . LYS A 1 74  ? 16.17569 15.50228 -6.22226  1.000 31.96449 ? 101 LYS A CE   1 
ATOM   1159 N NZ   . LYS A 1 74  ? 16.29131 16.99123 -6.45802  1.000 40.31828 ? 101 LYS A NZ   1 
ATOM   1160 H H    . LYS A 1 74  ? 14.51046 10.54617 -7.57536  1.000 12.26302 ? 101 LYS A H    1 
ATOM   1161 H HA   . LYS A 1 74  ? 15.92876 11.17820 -5.35882  1.000 11.75788 ? 101 LYS A HA   1 
ATOM   1162 H HB2  . LYS A 1 74  ? 14.14562 12.74831 -6.88522  1.000 14.75218 ? 101 LYS A HB2  1 
ATOM   1163 H HB3  . LYS A 1 74  ? 14.92416 13.28400 -5.60760  1.000 14.75218 ? 101 LYS A HB3  1 
ATOM   1164 H HG2  . LYS A 1 74  ? 16.91818 12.96955 -6.80736  1.000 23.96781 ? 101 LYS A HG2  1 
ATOM   1165 H HG3  . LYS A 1 74  ? 16.02418 12.69262 -8.09168  1.000 23.96781 ? 101 LYS A HG3  1 
ATOM   1166 H HD2  . LYS A 1 74  ? 16.69414 14.91808 -8.13522  1.000 29.21590 ? 101 LYS A HD2  1 
ATOM   1167 H HD3  . LYS A 1 74  ? 15.12451 14.88198 -7.88951  1.000 29.21590 ? 101 LYS A HD3  1 
ATOM   1168 H HE2  . LYS A 1 74  ? 15.40963 15.35473 -5.64584  1.000 38.40054 ? 101 LYS A HE2  1 
ATOM   1169 H HE3  . LYS A 1 74  ? 16.98688 15.21151 -5.77692  1.000 38.40054 ? 101 LYS A HE3  1 
ATOM   1170 H HZ1  . LYS A 1 74  ? 16.39449 17.41514 -5.68229  1.000 48.42509 ? 101 LYS A HZ1  1 
ATOM   1171 H HZ2  . LYS A 1 74  ? 16.99346 17.16363 -6.97701  1.000 48.42509 ? 101 LYS A HZ2  1 
ATOM   1172 H HZ3  . LYS A 1 74  ? 15.55579 17.29424 -6.85715  1.000 48.42509 ? 101 LYS A HZ3  1 
ATOM   1173 N N    . PHE A 1 75  ? 14.08849 11.26789 -3.62933  1.000 9.76822  ? 102 PHE A N    1 
ATOM   1174 C CA   . PHE A 1 75  ? 12.99269 11.01938 -2.69212  1.000 8.69923  ? 102 PHE A CA   1 
ATOM   1175 C C    . PHE A 1 75  ? 12.98164 12.06494 -1.58685  1.000 9.72746  ? 102 PHE A C    1 
ATOM   1176 O O    . PHE A 1 75  ? 13.97936 12.72903 -1.30359  1.000 10.19531 ? 102 PHE A O    1 
ATOM   1177 C CB   . PHE A 1 75  ? 13.08690 9.61173  -2.08067  1.000 8.17343  ? 102 PHE A CB   1 
ATOM   1178 C CG   . PHE A 1 75  ? 14.41190 9.31630  -1.41696  1.000 7.55779  ? 102 PHE A CG   1 
ATOM   1179 C CD1  . PHE A 1 75  ? 14.60017 9.59471  -0.07646  1.000 10.46396 ? 102 PHE A CD1  1 
ATOM   1180 C CD2  . PHE A 1 75  ? 15.46157 8.75610  -2.13828  1.000 9.14655  ? 102 PHE A CD2  1 
ATOM   1181 C CE1  . PHE A 1 75  ? 15.81989 9.34664  0.53787   1.000 9.72947  ? 102 PHE A CE1  1 
ATOM   1182 C CE2  . PHE A 1 75  ? 16.65648 8.49607  -1.52810  1.000 10.54201 ? 102 PHE A CE2  1 
ATOM   1183 C CZ   . PHE A 1 75  ? 16.84410 8.79232  -0.18735  1.000 7.61371  ? 102 PHE A CZ   1 
ATOM   1184 H H    . PHE A 1 75  ? 14.79303 11.62709 -3.29140  1.000 11.76502 ? 102 PHE A H    1 
ATOM   1185 H HA   . PHE A 1 75  ? 12.15707 11.10385 -3.17741  1.000 10.48223 ? 102 PHE A HA   1 
ATOM   1186 H HB2  . PHE A 1 75  ? 12.39328 9.51751  -1.40917  1.000 9.85127  ? 102 PHE A HB2  1 
ATOM   1187 H HB3  . PHE A 1 75  ? 12.95769 8.95759  -2.78516  1.000 9.85127  ? 102 PHE A HB3  1 
ATOM   1188 H HD1  . PHE A 1 75  ? 13.90048 9.95297  0.42052   1.000 12.59990 ? 102 PHE A HD1  1 
ATOM   1189 H HD2  . PHE A 1 75  ? 15.34952 8.55767  -3.03992  1.000 11.01901 ? 102 PHE A HD2  1 
ATOM   1190 H HE1  . PHE A 1 75  ? 15.94214 9.55500  1.43595   1.000 11.71852 ? 102 PHE A HE1  1 
ATOM   1191 H HE2  . PHE A 1 75  ? 17.35043 8.11665  -2.01735  1.000 12.69357 ? 102 PHE A HE2  1 
ATOM   1192 H HZ   . PHE A 1 75  ? 17.66160 8.61594  0.21944   1.000 9.17961  ? 102 PHE A HZ   1 
ATOM   1193 N N    . LYS A 1 76  ? 11.80829 12.18035 -0.95153  1.000 8.27962  ? 103 LYS A N    1 
ATOM   1194 C CA   . LYS A 1 76  ? 11.55819 13.12149 0.12515   1.000 7.94974  ? 103 LYS A CA   1 
ATOM   1195 C C    . LYS A 1 76  ? 10.64831 12.43570 1.12920   1.000 8.43781  ? 103 LYS A C    1 
ATOM   1196 O O    . LYS A 1 76  ? 9.71217  11.75679 0.72898   1.000 9.50238  ? 103 LYS A O    1 
ATOM   1197 C CB   . LYS A 1 76  ? 10.88869 14.38970 -0.39751  1.000 12.05597 ? 103 LYS A CB   1 
ATOM   1198 C CG   . LYS A 1 76  ? 10.61785 15.49397 0.60791   1.000 17.09512 ? 103 LYS A CG   1 
ATOM   1199 C CD   . LYS A 1 76  ? 9.75504  16.57791 -0.04474  1.000 23.18103 ? 103 LYS A CD   1 
ATOM   1200 C CE   . LYS A 1 76  ? 9.98878  17.96095 0.55458   1.000 47.88742 ? 103 LYS A CE   1 
ATOM   1201 N NZ   . LYS A 1 76  ? 8.71077  18.61340 0.98418   1.000 48.16000 ? 103 LYS A NZ   1 
ATOM   1202 H H    . LYS A 1 76  ? 11.11948 11.70123 -1.14018  1.000 9.97870  ? 103 LYS A H    1 
ATOM   1203 H HA   . LYS A 1 76  ? 12.38647 13.37765 0.56014   1.000 9.58285  ? 103 LYS A HA   1 
ATOM   1204 H HB2  . LYS A 1 76  ? 11.46015 14.76786 -1.08405  1.000 14.51031 ? 103 LYS A HB2  1 
ATOM   1205 H HB3  . LYS A 1 76  ? 10.03254 14.13995 -0.77898  1.000 14.51031 ? 103 LYS A HB3  1 
ATOM   1206 H HG2  . LYS A 1 76  ? 10.14250 15.13332 1.37268   1.000 20.55730 ? 103 LYS A HG2  1 
ATOM   1207 H HG3  . LYS A 1 76  ? 11.45535 15.89053 0.89468   1.000 20.55730 ? 103 LYS A HG3  1 
ATOM   1208 H HD2  . LYS A 1 76  ? 9.96509  16.62232 -0.99068  1.000 27.86039 ? 103 LYS A HD2  1 
ATOM   1209 H HD3  . LYS A 1 76  ? 8.81932  16.35324 0.07713   1.000 27.86039 ? 103 LYS A HD3  1 
ATOM   1210 H HE2  . LYS A 1 76  ? 10.56243 17.87839 1.33240   1.000 57.50806 ? 103 LYS A HE2  1 
ATOM   1211 H HE3  . LYS A 1 76  ? 10.40990 18.52897 -0.10943  1.000 57.50806 ? 103 LYS A HE3  1 
ATOM   1212 H HZ1  . LYS A 1 76  ? 8.87842  19.42189 1.31636   1.000 57.83515 ? 103 LYS A HZ1  1 
ATOM   1213 H HZ2  . LYS A 1 76  ? 8.16185  18.69514 0.28840   1.000 57.83515 ? 103 LYS A HZ2  1 
ATOM   1214 H HZ3  . LYS A 1 76  ? 8.31287  18.12095 1.60970   1.000 57.83515 ? 103 LYS A HZ3  1 
ATOM   1215 N N    . PHE A 1 77  ? 10.96017 12.56871 2.41285   1.000 8.08271  ? 104 PHE A N    1 
ATOM   1216 C CA   . PHE A 1 77  ? 10.13936 12.02431 3.50294   1.000 6.18869  ? 104 PHE A CA   1 
ATOM   1217 C C    . PHE A 1 77  ? 9.71898  13.19354 4.37831   1.000 7.91291  ? 104 PHE A C    1 
ATOM   1218 O O    . PHE A 1 77  ? 10.51489 14.10017 4.63223   1.000 8.77145  ? 104 PHE A O    1 
ATOM   1219 C CB   . PHE A 1 77  ? 10.90109 11.05977 4.38644   1.000 7.24835  ? 104 PHE A CB   1 
ATOM   1220 C CG   . PHE A 1 77  ? 11.43931 9.86017  3.68814   1.000 7.23558  ? 104 PHE A CG   1 
ATOM   1221 C CD1  . PHE A 1 77  ? 10.65908 9.11201  2.87514   1.000 13.45037 ? 104 PHE A CD1  1 
ATOM   1222 C CD2  . PHE A 1 77  ? 12.74092 9.45872  3.92107   1.000 9.70149  ? 104 PHE A CD2  1 
ATOM   1223 C CE1  . PHE A 1 77  ? 11.18182 7.96411  2.27179   1.000 20.00142 ? 104 PHE A CE1  1 
ATOM   1224 C CE2  . PHE A 1 77  ? 13.25785 8.33652  3.32781   1.000 12.50809 ? 104 PHE A CE2  1 
ATOM   1225 C CZ   . PHE A 1 77  ? 12.48931 7.61184  2.49868   1.000 12.30806 ? 104 PHE A CZ   1 
ATOM   1226 H H    . PHE A 1 77  ? 11.66155 12.98130 2.69115   1.000 9.74240  ? 104 PHE A H    1 
ATOM   1227 H HA   . PHE A 1 77  ? 9.38032  11.55444 3.12350   1.000 7.46958  ? 104 PHE A HA   1 
ATOM   1228 H HB2  . PHE A 1 77  ? 11.65338 11.53043 4.77815   1.000 8.74117  ? 104 PHE A HB2  1 
ATOM   1229 H HB3  . PHE A 1 77  ? 10.30529 10.74692 5.08505   1.000 8.74117  ? 104 PHE A HB3  1 
ATOM   1230 H HD1  . PHE A 1 77  ? 9.77684  9.36058  2.71778   1.000 16.18360 ? 104 PHE A HD1  1 
ATOM   1231 H HD2  . PHE A 1 77  ? 13.27705 9.96021  4.49200   1.000 11.68494 ? 104 PHE A HD2  1 
ATOM   1232 H HE1  . PHE A 1 77  ? 10.64636 7.44162  1.71936   1.000 24.04485 ? 104 PHE A HE1  1 
ATOM   1233 H HE2  . PHE A 1 77  ? 14.13497 8.07868  3.49833   1.000 15.05286 ? 104 PHE A HE2  1 
ATOM   1234 H HZ   . PHE A 1 77  ? 12.84576 6.86491  2.07449   1.000 14.81282 ? 104 PHE A HZ   1 
ATOM   1235 N N    . SER A 1 78  ? 8.50372  13.15037 4.92101   1.000 6.54395  ? 105 SER A N    1 
ATOM   1236 C CA   . SER A 1 78  ? 8.06022  14.13190 5.89562   1.000 7.19178  ? 105 SER A CA   1 
ATOM   1237 C C    . SER A 1 78  ? 7.06477  13.45102 6.84008   1.000 5.89897  ? 105 SER A C    1 
ATOM   1238 O O    . SER A 1 78  ? 6.73702  12.27114 6.68139   1.000 6.90040  ? 105 SER A O    1 
ATOM   1239 C CB   . SER A 1 78  ? 7.44922  15.34258 5.23144   1.000 13.05444 ? 105 SER A CB   1 
ATOM   1240 O OG   . SER A 1 78  ? 6.36445  14.89746 4.47003   1.000 13.39019 ? 105 SER A OG   1 
ATOM   1241 H H    . SER A 1 78  ? 7.91322  12.55314 4.73600   1.000 7.89589  ? 105 SER A H    1 
ATOM   1242 H HA   . SER A 1 78  ? 8.81905  14.43737 6.41694   1.000 8.67329  ? 105 SER A HA   1 
ATOM   1243 H HB2  . SER A 1 78  ? 7.14352  15.96929 5.90574   1.000 15.70848 ? 105 SER A HB2  1 
ATOM   1244 H HB3  . SER A 1 78  ? 8.10365  15.76797 4.65553   1.000 15.70848 ? 105 SER A HB3  1 
ATOM   1245 H HG   . SER A 1 78  ? 6.05583  15.53045 4.01213   1.000 16.11139 ? 105 SER A HG   1 
ATOM   1246 N N    . ILE A 1 79  ? 6.67610  14.18917 7.86488   1.000 8.48731  ? 106 ILE A N    1 
ATOM   1247 C CA   . ILE A 1 79  ? 5.83082  13.70110 8.94684   1.000 7.09658  ? 106 ILE A CA   1 
ATOM   1248 C C    . ILE A 1 79  ? 4.60871  14.60678 9.00343   1.000 7.26734  ? 106 ILE A C    1 
ATOM   1249 O O    . ILE A 1 79  ? 4.74206  15.83570 8.94315   1.000 10.31842 ? 106 ILE A O    1 
ATOM   1250 C CB   . ILE A 1 79  ? 6.56529  13.75789 10.29916  1.000 8.77374  ? 106 ILE A CB   1 
ATOM   1251 C CG1  . ILE A 1 79  ? 7.90536  13.04219 10.21915  1.000 8.86612  ? 106 ILE A CG1  1 
ATOM   1252 C CG2  . ILE A 1 79  ? 5.73842  13.15574 11.41445  1.000 10.08126 ? 106 ILE A CG2  1 
ATOM   1253 C CD1  . ILE A 1 79  ? 8.73553  13.09059 11.51875  1.000 11.04805 ? 106 ILE A CD1  1 
ATOM   1254 H H    . ILE A 1 79  ? 6.89799  15.01427 7.96268   1.000 10.22793 ? 106 ILE A H    1 
ATOM   1255 H HA   . ILE A 1 79  ? 5.56418  12.78538 8.77005   1.000 8.30012  ? 106 ILE A HA   1 
ATOM   1256 H HB   . ILE A 1 79  ? 6.71239  14.69608 10.49677  1.000 10.57165 ? 106 ILE A HB   1 
ATOM   1257 H HG12 . ILE A 1 79  ? 7.74511  12.10897 10.00864  1.000 10.42357 ? 106 ILE A HG12 1 
ATOM   1258 H HG13 . ILE A 1 79  ? 8.43434  13.45429 9.51826   1.000 10.42357 ? 106 ILE A HG13 1 
ATOM   1259 H HG21 . ILE A 1 79  ? 6.16292  13.35280 12.26408  1.000 12.14066 ? 106 ILE A HG21 1 
ATOM   1260 H HG22 . ILE A 1 79  ? 4.84880  13.54168 11.39177  1.000 12.14066 ? 106 ILE A HG22 1 
ATOM   1261 H HG23 . ILE A 1 79  ? 5.68589  12.19575 11.28571  1.000 12.14066 ? 106 ILE A HG23 1 
ATOM   1262 H HD11 . ILE A 1 79  ? 9.63831  12.79134 11.32813  1.000 13.04188 ? 106 ILE A HD11 1 
ATOM   1263 H HD12 . ILE A 1 79  ? 8.75213  14.00245 11.84911  1.000 13.04188 ? 106 ILE A HD12 1 
ATOM   1264 H HD13 . ILE A 1 79  ? 8.32591  12.50769 12.17704  1.000 13.04188 ? 106 ILE A HD13 1 
ATOM   1265 N N    . LEU A 1 80  ? 3.43939  14.00210 9.19820   1.000 7.47383  ? 107 LEU A N    1 
ATOM   1266 C CA   . LEU A 1 80  ? 2.22180  14.76010 9.42230   1.000 10.02225 ? 107 LEU A CA   1 
ATOM   1267 C C    . LEU A 1 80  ? 2.12106  15.16091 10.88374  1.000 9.64378  ? 107 LEU A C    1 
ATOM   1268 O O    . LEU A 1 80  ? 2.24698  14.31849 11.77042  1.000 13.81747 ? 107 LEU A O    1 
ATOM   1269 C CB   . LEU A 1 80  ? 1.02785  13.90091 9.03836   1.000 9.77810  ? 107 LEU A CB   1 
ATOM   1270 C CG   . LEU A 1 80  ? -0.32537 14.57573 9.23092   1.000 14.34212 ? 107 LEU A CG   1 
ATOM   1271 C CD1  . LEU A 1 80  ? -0.46522 15.70188 8.22739   1.000 15.44412 ? 107 LEU A CD1  1 
ATOM   1272 C CD2  . LEU A 1 80  ? -1.40055 13.49013 9.06211   1.000 20.49544 ? 107 LEU A CD2  1 
ATOM   1273 H H    . LEU A 1 80  ? 3.32842  13.14932 9.20449   1.000 8.75283  ? 107 LEU A H    1 
ATOM   1274 H HA   . LEU A 1 80  ? 2.22531  15.56799 8.88546   1.000 12.06985 ? 107 LEU A HA   1 
ATOM   1275 H HB2  . LEU A 1 80  ? 1.10713  13.66435 8.10099   1.000 11.77687 ? 107 LEU A HB2  1 
ATOM   1276 H HB3  . LEU A 1 80  ? 1.03654  13.09943 9.58467   1.000 11.77687 ? 107 LEU A HB3  1 
ATOM   1277 H HG   . LEU A 1 80  ? -0.42780 14.97567 10.10867  1.000 17.25369 ? 107 LEU A HG   1 
ATOM   1278 H HD11 . LEU A 1 80  ? -1.37408 16.03957 8.25628   1.000 18.57610 ? 107 LEU A HD11 1 
ATOM   1279 H HD12 . LEU A 1 80  ? 0.15781  16.40891 8.45727   1.000 18.57610 ? 107 LEU A HD12 1 
ATOM   1280 H HD13 . LEU A 1 80  ? -0.26685 15.36147 7.34101   1.000 18.57610 ? 107 LEU A HD13 1 
ATOM   1281 H HD21 . LEU A 1 80  ? -2.27689 13.90242 9.11644   1.000 24.63768 ? 107 LEU A HD21 1 
ATOM   1282 H HD22 . LEU A 1 80  ? -1.28773 13.06569 8.19722   1.000 24.63768 ? 107 LEU A HD22 1 
ATOM   1283 H HD23 . LEU A 1 80  ? -1.29969 12.83319 9.76863   1.000 24.63768 ? 107 LEU A HD23 1 
ATOM   1284 N N    . ASN A 1 81  ? 1.84511  16.43593 11.15090  1.000 9.09845  ? 108 ASN A N    1 
ATOM   1285 C CA   . ASN A 1 81  ? 1.69887  16.84783 12.54142  1.000 9.57215  ? 108 ASN A CA   1 
ATOM   1286 C C    . ASN A 1 81  ? 0.22820  16.98549 12.91311  1.000 13.25419 ? 108 ASN A C    1 
ATOM   1287 O O    . ASN A 1 81  ? -0.67317 16.78774 12.08579  1.000 11.68702 ? 108 ASN A O    1 
ATOM   1288 C CB   . ASN A 1 81  ? 2.48920  18.13531 12.81463  1.000 9.83636  ? 108 ASN A CB   1 
ATOM   1289 C CG   . ASN A 1 81  ? 1.86242  19.39065 12.23628  1.000 14.45267 ? 108 ASN A CG   1 
ATOM   1290 O OD1  . ASN A 1 81  ? 0.69741  19.43724 11.78987  1.000 12.42704 ? 108 ASN A OD1  1 
ATOM   1291 N ND2  . ASN A 1 81  ? 2.65632  20.46345 12.25742  1.000 18.95007 ? 108 ASN A ND2  1 
ATOM   1292 H H    . ASN A 1 81  ? 1.74226  17.05611 10.56405  1.000 10.70236 ? 108 ASN A H    1 
ATOM   1293 H HA   . ASN A 1 81  ? 2.07070  16.16308 13.11915  1.000 11.27080 ? 108 ASN A HA   1 
ATOM   1294 H HB2  . ASN A 1 81  ? 2.55892  18.25818 13.77429  1.000 11.80914 ? 108 ASN A HB2  1 
ATOM   1295 H HB3  . ASN A 1 81  ? 3.37356  18.04407 12.42672  1.000 11.80914 ? 108 ASN A HB3  1 
ATOM   1296 H HD21 . ASN A 1 81  ? 2.37334  21.21398 11.94721  1.000 22.78324 ? 108 ASN A HD21 1 
ATOM   1297 H HD22 . ASN A 1 81  ? 3.45081  20.40413 12.58126  1.000 22.78324 ? 108 ASN A HD22 1 
ATOM   1298 N N    . ALA A 1 82  ? -0.00002 17.24138 14.20469  1.000 11.50246 ? 109 ALA A N    1 
ATOM   1299 C CA   . ALA A 1 82  ? -1.34481 17.33079 14.74117  1.000 13.00786 ? 109 ALA A CA   1 
ATOM   1300 C C    . ALA A 1 82  ? -2.11407 18.50366 14.17506  1.000 14.46283 ? 109 ALA A C    1 
ATOM   1301 O O    . ALA A 1 82  ? -3.33311 18.58391 14.36378  1.000 16.74337 ? 109 ALA A O    1 
ATOM   1302 C CB   . ALA A 1 82  ? -1.32755 17.48480 16.25437  1.000 16.28523 ? 109 ALA A CB   1 
ATOM   1303 H H    . ALA A 1 82  ? 0.61665  17.36721 14.79076  1.000 13.58718 ? 109 ALA A H    1 
ATOM   1304 H HA   . ALA A 1 82  ? -1.79416 16.50123 14.51573  1.000 15.39366 ? 109 ALA A HA   1 
ATOM   1305 H HB1  . ALA A 1 82  ? -2.24099 17.50674 16.58001  1.000 19.58543 ? 109 ALA A HB1  1 
ATOM   1306 H HB2  . ALA A 1 82  ? -0.85581 16.73163 16.64310  1.000 19.58543 ? 109 ALA A HB2  1 
ATOM   1307 H HB3  . ALA A 1 82  ? -0.87510 18.31193 16.48248  1.000 19.58543 ? 109 ALA A HB3  1 
ATOM   1308 N N    . LYS A 1 83  ? -1.41984 19.46335 13.58443  1.000 14.17605 ? 110 LYS A N    1 
ATOM   1309 C CA   . LYS A 1 83  ? -2.07610 20.61264 12.99805  1.000 16.20178 ? 110 LYS A CA   1 
ATOM   1310 C C    . LYS A 1 83  ? -2.52058 20.35017 11.56833  1.000 16.45962 ? 110 LYS A C    1 
ATOM   1311 O O    . LYS A 1 83  ? -3.09081 21.24152 10.95219  1.000 18.37349 ? 110 LYS A O    1 
ATOM   1312 C CB   . LYS A 1 83  ? -1.13747 21.81693 13.02032  1.000 22.37154 ? 110 LYS A CB   1 
ATOM   1313 C CG   . LYS A 1 83  ? -0.85181 22.42880 14.41272  1.000 34.46698 ? 110 LYS A CG   1 
ATOM   1314 C CD   . LYS A 1 83  ? -2.01183 22.35571 15.41174  1.000 41.91099 ? 110 LYS A CD   1 
ATOM   1315 C CE   . LYS A 1 83  ? -2.92690 23.56194 15.28581  1.000 41.56718 ? 110 LYS A CE   1 
ATOM   1316 N NZ   . LYS A 1 83  ? -2.44358 24.70810 16.11923  1.000 67.06226 ? 110 LYS A NZ   1 
ATOM   1317 H H    . LYS A 1 83  ? -0.56294 19.46896 13.51165  1.000 16.79549 ? 110 LYS A H    1 
ATOM   1318 H HA   . LYS A 1 83  ? -2.85822 20.83432 13.52725  1.000 19.48529 ? 110 LYS A HA   1 
ATOM   1319 H HB2  . LYS A 1 83  ? -0.28489 21.54360 12.64711  1.000 26.88900 ? 110 LYS A HB2  1 
ATOM   1320 H HB3  . LYS A 1 83  ? -1.52937 22.51673 12.47479  1.000 26.88900 ? 110 LYS A HB3  1 
ATOM   1321 H HG2  . LYS A 1 83  ? -0.10154 21.95693 14.80685  1.000 41.40353 ? 110 LYS A HG2  1 
ATOM   1322 H HG3  . LYS A 1 83  ? -0.63013 23.36590 14.29615  1.000 41.40353 ? 110 LYS A HG3  1 
ATOM   1323 H HD2  . LYS A 1 83  ? -2.53435 21.55664 15.24039  1.000 50.33635 ? 110 LYS A HD2  1 
ATOM   1324 H HD3  . LYS A 1 83  ? -1.65811 22.33352 16.31467  1.000 50.33635 ? 110 LYS A HD3  1 
ATOM   1325 H HE2  . LYS A 1 83  ? -2.95426 23.84874 14.35958  1.000 49.92377 ? 110 LYS A HE2  1 
ATOM   1326 H HE3  . LYS A 1 83  ? -3.81771 23.32167 15.58516  1.000 49.92377 ? 110 LYS A HE3  1 
ATOM   1327 H HZ1  . LYS A 1 83  ? -2.97669 25.41192 16.00734  1.000 80.51786 ? 110 LYS A HZ1  1 
ATOM   1328 H HZ2  . LYS A 1 83  ? -2.44309 24.48000 16.97951  1.000 80.51786 ? 110 LYS A HZ2  1 
ATOM   1329 H HZ3  . LYS A 1 83  ? -1.61617 24.93141 15.87917  1.000 80.51786 ? 110 LYS A HZ3  1 
ATOM   1330 N N    . GLY A 1 84  ? -2.24070 19.16177 11.03750  1.000 17.10086 ? 111 GLY A N    1 
ATOM   1331 C CA   . GLY A 1 84  ? -2.62004 18.85403 9.66968   1.000 15.99249 ? 111 GLY A CA   1 
ATOM   1332 C C    . GLY A 1 84  ? -1.62537 19.30421 8.63355   1.000 15.19853 ? 111 GLY A C    1 
ATOM   1333 O O    . GLY A 1 84  ? -1.98966 19.45370 7.46652   1.000 16.53117 ? 111 GLY A O    1 
ATOM   1334 H H    . GLY A 1 84  ? -1.83515 18.52423 11.44819  1.000 20.56419 ? 111 GLY A H    1 
ATOM   1335 H HA2  . GLY A 1 84  ? -2.72639 17.89376 9.58326   1.000 19.14252 ? 111 GLY A HA2  1 
ATOM   1336 H HA3  . GLY A 1 84  ? -3.46752 19.28432 9.47595   1.000 19.14252 ? 111 GLY A HA3  1 
ATOM   1337 N N    . GLU A 1 85  ? -0.37215 19.51637 9.02547   1.000 13.47290 ? 112 GLU A N    1 
ATOM   1338 C CA   . GLU A 1 85  ? 0.65180  19.99480 8.10892   1.000 12.96106 ? 112 GLU A CA   1 
ATOM   1339 C C    . GLU A 1 85  ? 1.82444  19.02882 8.05089   1.000 15.25622 ? 112 GLU A C    1 
ATOM   1340 O O    . GLU A 1 85  ? 2.13793  18.34364 9.02714   1.000 13.18346 ? 112 GLU A O    1 
ATOM   1341 C CB   . GLU A 1 85  ? 1.14845  21.36113 8.57005   1.000 18.31350 ? 112 GLU A CB   1 
ATOM   1342 C CG   . GLU A 1 85  ? 0.17452  22.45147 8.33546   1.000 27.40656 ? 112 GLU A CG   1 
ATOM   1343 C CD   . GLU A 1 85  ? 0.80233  23.79963 8.57235   1.000 43.51770 ? 112 GLU A CD   1 
ATOM   1344 O OE1  . GLU A 1 85  ? 0.85662  24.61114 7.62485   1.000 41.44342 ? 112 GLU A OE1  1 
ATOM   1345 O OE2  . GLU A 1 85  ? 1.26992  24.02285 9.71026   1.000 47.99495 ? 112 GLU A OE2  1 
ATOM   1346 H H    . GLU A 1 85  ? -0.09000 19.38802 9.82766   1.000 16.21063 ? 112 GLU A H    1 
ATOM   1347 H HA   . GLU A 1 85  ? 0.28645  20.05700 7.21251   1.000 15.51401 ? 112 GLU A HA   1 
ATOM   1348 H HB2  . GLU A 1 85  ? 1.32928  21.32348 9.52230   1.000 22.01935 ? 112 GLU A HB2  1 
ATOM   1349 H HB3  . GLU A 1 85  ? 1.96071  21.57856 8.08646   1.000 22.01935 ? 112 GLU A HB3  1 
ATOM   1350 H HG2  . GLU A 1 85  ? -0.13583 22.41453 7.41719   1.000 32.93102 ? 112 GLU A HG2  1 
ATOM   1351 H HG3  . GLU A 1 85  ? -0.57476 22.35078 8.94320   1.000 32.93102 ? 112 GLU A HG3  1 
ATOM   1352 N N    . GLU A 1 86  ? 2.47844  18.98551 6.89006   1.000 10.83352 ? 113 GLU A N    1 
ATOM   1353 C CA   . GLU A 1 86  ? 3.70304  18.20664 6.74611   1.000 11.63376 ? 113 GLU A CA   1 
ATOM   1354 C C    . GLU A 1 86  ? 4.84597  18.96425 7.39693   1.000 15.18125 ? 113 GLU A C    1 
ATOM   1355 O O    . GLU A 1 86  ? 5.00391  20.17935 7.18322   1.000 17.89130 ? 113 GLU A O    1 
ATOM   1356 C CB   . GLU A 1 86  ? 4.05845  17.94685 5.29018   1.000 15.75607 ? 113 GLU A CB   1 
ATOM   1357 C CG   . GLU A 1 86  ? 2.99922  17.25134 4.46199   1.000 21.74909 ? 113 GLU A CG   1 
ATOM   1358 C CD   . GLU A 1 86  ? 3.55401  16.79454 3.11389   1.000 33.14355 ? 113 GLU A CD   1 
ATOM   1359 O OE1  . GLU A 1 86  ? 4.78407  16.96442 2.87696   1.000 35.65195 ? 113 GLU A OE1  1 
ATOM   1360 O OE2  . GLU A 1 86  ? 2.76129  16.27813 2.29919   1.000 33.12147 ? 113 GLU A OE2  1 
ATOM   1361 H H    . GLU A 1 86  ? 2.23317  19.39696 6.17581   1.000 13.04337 ? 113 GLU A H    1 
ATOM   1362 H HA   . GLU A 1 86  ? 3.56801  17.34595 7.17260   1.000 14.00367 ? 113 GLU A HA   1 
ATOM   1363 H HB2  . GLU A 1 86  ? 4.23956  18.80000 4.86563   1.000 18.95044 ? 113 GLU A HB2  1 
ATOM   1364 H HB3  . GLU A 1 86  ? 4.85202  17.38955 5.26680   1.000 18.95044 ? 113 GLU A HB3  1 
ATOM   1365 H HG2  . GLU A 1 86  ? 2.67869  16.47088 4.94058   1.000 26.14206 ? 113 GLU A HG2  1 
ATOM   1366 H HG3  . GLU A 1 86  ? 2.26569  17.86458 4.29837   1.000 26.14206 ? 113 GLU A HG3  1 
ATOM   1367 N N    . THR A 1 87  ? 5.64020  18.25760 8.18791   1.000 11.78382 ? 114 THR A N    1 
ATOM   1368 C CA   A THR A 1 87  ? 6.75830  18.90211 8.84672   0.755 9.09441  ? 114 THR A CA   1 
ATOM   1369 C CA   B THR A 1 87  ? 6.73578  18.86596 8.92601   0.245 9.27745  ? 114 THR A CA   1 
ATOM   1370 C C    . THR A 1 87  ? 7.96792  17.98364 8.78355   1.000 7.79170  ? 114 THR A C    1 
ATOM   1371 O O    . THR A 1 87  ? 7.86939  16.79714 8.42639   1.000 7.94901  ? 114 THR A O    1 
ATOM   1372 C CB   A THR A 1 87  ? 6.43913  19.26381 10.30665  0.755 17.40375 ? 114 THR A CB   1 
ATOM   1373 C CB   B THR A 1 87  ? 6.41430  19.04765 10.42109  0.245 16.30351 ? 114 THR A CB   1 
ATOM   1374 O OG1  A THR A 1 87  ? 7.56225  19.96375 10.87907  0.755 16.78295 ? 114 THR A OG1  1 
ATOM   1375 O OG1  B THR A 1 87  ? 5.07118  19.51210 10.58722  0.245 15.90465 ? 114 THR A OG1  1 
ATOM   1376 C CG2  A THR A 1 87  ? 6.14621  18.02872 11.09897  0.755 13.66448 ? 114 THR A CG2  1 
ATOM   1377 C CG2  B THR A 1 87  ? 7.37007  20.06172 11.05643  0.245 17.07270 ? 114 THR A CG2  1 
ATOM   1378 H H    A THR A 1 87  ? 5.55114  17.41849 8.35396   0.755 14.18374 ? 114 THR A H    1 
ATOM   1379 H H    B THR A 1 87  ? 5.56355  17.41060 8.31565   0.245 14.18374 ? 114 THR A H    1 
ATOM   1380 H HA   A THR A 1 87  ? 6.96710  19.72243 8.37303   0.755 10.95645 ? 114 THR A HA   1 
ATOM   1381 H HA   B THR A 1 87  ? 6.91602  19.74129 8.54891   0.245 11.17610 ? 114 THR A HA   1 
ATOM   1382 H HB   A THR A 1 87  ? 5.65526  19.83396 10.34387  0.755 20.92766 ? 114 THR A HB   1 
ATOM   1383 H HB   B THR A 1 87  ? 6.51649  18.19360 10.86947  0.245 19.60737 ? 114 THR A HB   1 
ATOM   1384 H HG1  A THR A 1 87  ? 7.37660  20.21607 11.65847  0.755 20.18269 ? 114 THR A HG1  1 
ATOM   1385 H HG1  B THR A 1 87  ? 4.92147  19.67435 11.39769  0.245 19.12873 ? 114 THR A HG1  1 
ATOM   1386 H HG21 A THR A 1 87  ? 5.78416  18.26899 11.96620  0.755 16.44053 ? 114 THR A HG21 1 
ATOM   1387 H HG21 B THR A 1 87  ? 7.02554  20.34856 11.91661  0.245 20.53039 ? 114 THR A HG21 1 
ATOM   1388 H HG22 A THR A 1 87  ? 5.49972  17.47883 10.62932  0.755 16.44053 ? 114 THR A HG22 1 
ATOM   1389 H HG22 B THR A 1 87  ? 8.24311  19.65912 11.18537  0.245 20.53039 ? 114 THR A HG22 1 
ATOM   1390 H HG23 A THR A 1 87  ? 6.95992  17.51683 11.22839  0.755 16.44053 ? 114 THR A HG23 1 
ATOM   1391 H HG23 B THR A 1 87  ? 7.46270  20.83649 10.48019  0.245 20.53039 ? 114 THR A HG23 1 
ATOM   1392 N N    . LYS A 1 88  ? 9.13006  18.56973 9.09104   1.000 8.94893  ? 115 LYS A N    1 
ATOM   1393 C CA   . LYS A 1 88  ? 10.39810 17.83318 9.21809   1.000 8.86281  ? 115 LYS A CA   1 
ATOM   1394 C C    . LYS A 1 88  ? 10.79393 17.13870 7.91480   1.000 9.86706  ? 115 LYS A C    1 
ATOM   1395 O O    . LYS A 1 88  ? 11.50886 16.12945 7.91171   1.000 10.54469 ? 115 LYS A O    1 
ATOM   1396 C CB   . LYS A 1 88  ? 10.31249 16.85145 10.38483  1.000 8.78119  ? 115 LYS A CB   1 
ATOM   1397 C CG   . LYS A 1 88  ? 10.44725 17.52726 11.77250  1.000 11.60512 ? 115 LYS A CG   1 
ATOM   1398 C CD   . LYS A 1 88  ? 11.83756 18.01438 11.99856  1.000 12.74039 ? 115 LYS A CD   1 
ATOM   1399 C CE   . LYS A 1 88  ? 12.02575 18.75832 13.28252  1.000 18.78025 ? 115 LYS A CE   1 
ATOM   1400 N NZ   . LYS A 1 88  ? 11.41153 20.08028 13.21053  1.000 23.83486 ? 115 LYS A NZ   1 
ATOM   1401 H H    . LYS A 1 88  ? 9.21413  19.41347 9.23468   1.000 10.78187 ? 115 LYS A H    1 
ATOM   1402 H HA   . LYS A 1 88  ? 11.11559 18.45858 9.40512   1.000 10.41960 ? 115 LYS A HA   1 
ATOM   1403 H HB2  . LYS A 1 88  ? 9.45244  16.40390 10.35451  1.000 10.32165 ? 115 LYS A HB2  1 
ATOM   1404 H HB3  . LYS A 1 88  ? 11.02774 16.20174 10.29999  1.000 10.32165 ? 115 LYS A HB3  1 
ATOM   1405 H HG2  . LYS A 1 88  ? 9.84468  18.28577 11.82217  1.000 13.96930 ? 115 LYS A HG2  1 
ATOM   1406 H HG3  . LYS A 1 88  ? 10.23053 16.88538 12.46671  1.000 13.96930 ? 115 LYS A HG3  1 
ATOM   1407 H HD2  . LYS A 1 88  ? 12.43616 17.25122 12.01131  1.000 15.33163 ? 115 LYS A HD2  1 
ATOM   1408 H HD3  . LYS A 1 88  ? 12.07877 18.61316 11.27456  1.000 15.33163 ? 115 LYS A HD3  1 
ATOM   1409 H HE2  . LYS A 1 88  ? 11.61009 18.26464 14.00668  1.000 22.57945 ? 115 LYS A HE2  1 
ATOM   1410 H HE3  . LYS A 1 88  ? 12.97356 18.86823 13.45709  1.000 22.57945 ? 115 LYS A HE3  1 
ATOM   1411 H HZ1  . LYS A 1 88  ? 10.53512 20.00185 13.07688  1.000 28.64498 ? 115 LYS A HZ1  1 
ATOM   1412 H HZ2  . LYS A 1 88  ? 11.54938 20.52180 13.97089  1.000 28.64498 ? 115 LYS A HZ2  1 
ATOM   1413 H HZ3  . LYS A 1 88  ? 11.76576 20.54434 12.53876  1.000 28.64498 ? 115 LYS A HZ3  1 
ATOM   1414 N N    . ALA A 1 89  ? 10.39879 17.70748 6.78364   1.000 8.02820  ? 116 ALA A N    1 
ATOM   1415 C CA   . ALA A 1 89  ? 10.67441 17.08379 5.49631   1.000 8.40616  ? 116 ALA A CA   1 
ATOM   1416 C C    . ALA A 1 89  ? 12.16508 17.16008 5.18125   1.000 8.46827  ? 116 ALA A C    1 
ATOM   1417 O O    . ALA A 1 89  ? 12.81670 18.19678 5.36833   1.000 9.75379  ? 116 ALA A O    1 
ATOM   1418 C CB   . ALA A 1 89  ? 9.88394  17.77562 4.39843   1.000 11.10535 ? 116 ALA A CB   1 
ATOM   1419 H H    . ALA A 1 89  ? 9.97090  18.45177 6.73332   1.000 9.46580  ? 116 ALA A H    1 
ATOM   1420 H HA   . ALA A 1 89  ? 10.40926 16.15117 5.52491   1.000 10.13054 ? 116 ALA A HA   1 
ATOM   1421 H HB1  . ALA A 1 89  ? 10.00418 17.28886 3.56807   1.000 13.36957 ? 116 ALA A HB1  1 
ATOM   1422 H HB2  . ALA A 1 89  ? 8.94539  17.78533 4.64324   1.000 13.36957 ? 116 ALA A HB2  1 
ATOM   1423 H HB3  . ALA A 1 89  ? 10.20940 18.68401 4.29946   1.000 13.36957 ? 116 ALA A HB3  1 
ATOM   1424 N N    . MET A 1 90  ? 12.68880 16.07760 4.65698   1.000 10.42282 ? 117 MET A N    1 
ATOM   1425 C CA   . MET A 1 90  ? 14.07568 15.98582 4.20057   1.000 10.83706 ? 117 MET A CA   1 
ATOM   1426 C C    . MET A 1 90  ? 14.08057 15.30323 2.84653   1.000 9.73984  ? 117 MET A C    1 
ATOM   1427 O O    . MET A 1 90  ? 13.36466 14.31844 2.61555   1.000 9.16609  ? 117 MET A O    1 
ATOM   1428 C CB   . MET A 1 90  ? 14.93080 15.20938 5.17248   1.000 9.59033  ? 117 MET A CB   1 
ATOM   1429 C CG   . MET A 1 90  ? 15.25881 15.96314 6.40881   1.000 10.72926 ? 117 MET A CG   1 
ATOM   1430 S SD   . MET A 1 90  ? 16.75759 15.43391 7.25089   1.000 13.22324 ? 117 MET A SD   1 
ATOM   1431 C CE   . MET A 1 90  ? 16.31487 13.80157 7.65245   1.000 12.07776 ? 117 MET A CE   1 
ATOM   1432 H H    . MET A 1 90  ? 12.25085 15.34589 4.54562   1.000 12.29161 ? 117 MET A H    1 
ATOM   1433 H HA   . MET A 1 90  ? 14.45982 16.87340 4.12623   1.000 13.04763 ? 117 MET A HA   1 
ATOM   1434 H HB2  . MET A 1 90  ? 14.45591 14.40458 5.43265   1.000 11.45192 ? 117 MET A HB2  1 
ATOM   1435 H HB3  . MET A 1 90  ? 15.76546 14.97591 4.73689   1.000 11.45192 ? 117 MET A HB3  1 
ATOM   1436 H HG2  . MET A 1 90  ? 15.37123 16.89839 6.17735   1.000 12.65934 ? 117 MET A HG2  1 
ATOM   1437 H HG3  . MET A 1 90  ? 14.52403 15.86209 7.03394   1.000 12.65934 ? 117 MET A HG3  1 
ATOM   1438 H HE1  . MET A 1 90  ? 17.05105 13.38166 8.12426   1.000 14.53647 ? 117 MET A HE1  1 
ATOM   1439 H HE2  . MET A 1 90  ? 15.52644 13.81805 8.21727   1.000 14.53647 ? 117 MET A HE2  1 
ATOM   1440 H HE3  . MET A 1 90  ? 16.12581 13.31536 6.83467   1.000 14.53647 ? 117 MET A HE3  1 
ATOM   1441 N N    . GLU A 1 91  ? 14.88383 15.81544 1.93212   1.000 10.76053 ? 118 GLU A N    1 
ATOM   1442 C CA   . GLU A 1 91  ? 14.93357 15.20475 0.60577   1.000 10.29971 ? 118 GLU A CA   1 
ATOM   1443 C C    . GLU A 1 91  ? 16.35684 14.77858 0.28652   1.000 11.04095 ? 118 GLU A C    1 
ATOM   1444 O O    . GLU A 1 91  ? 17.32500 15.29268 0.85872   1.000 16.14227 ? 118 GLU A O    1 
ATOM   1445 C CB   . GLU A 1 91  ? 14.37744 16.18114 -0.44212  1.000 19.53733 ? 118 GLU A CB   1 
ATOM   1446 C CG   . GLU A 1 91  ? 15.19682 17.37971 -0.74504  1.000 26.31221 ? 118 GLU A CG   1 
ATOM   1447 C CD   . GLU A 1 91  ? 14.37216 18.45241 -1.46672  1.000 42.79232 ? 118 GLU A CD   1 
ATOM   1448 O OE1  . GLU A 1 91  ? 14.01919 18.24265 -2.64842  1.000 46.84648 ? 118 GLU A OE1  1 
ATOM   1449 O OE2  . GLU A 1 91  ? 14.04783 19.48948 -0.84423  1.000 51.38854 ? 118 GLU A OE2  1 
ATOM   1450 H H    . GLU A 1 91  ? 15.39651 16.49615 2.04782   1.000 12.69686 ? 118 GLU A H    1 
ATOM   1451 H HA   . GLU A 1 91  ? 14.39506 14.39871 0.57092   1.000 12.14388 ? 118 GLU A HA   1 
ATOM   1452 H HB2  . GLU A 1 91  ? 14.26780 15.69606 -1.27493  1.000 23.48795 ? 118 GLU A HB2  1 
ATOM   1453 H HB3  . GLU A 1 91  ? 13.51675 16.49943 -0.12778  1.000 23.48795 ? 118 GLU A HB3  1 
ATOM   1454 H HG2  . GLU A 1 91  ? 15.53219 17.75747 0.08305   1.000 31.61781 ? 118 GLU A HG2  1 
ATOM   1455 H HG3  . GLU A 1 91  ? 15.93738 17.12637 -1.31801  1.000 31.61781 ? 118 GLU A HG3  1 
ATOM   1456 N N    . SER A 1 92  ? 16.46104 13.78724 -0.58026  1.000 9.98499  ? 119 SER A N    1 
ATOM   1457 C CA   . SER A 1 92  ? 17.73678 13.42626 -1.17159  1.000 9.72351  ? 119 SER A CA   1 
ATOM   1458 C C    . SER A 1 92  ? 18.19705 14.61953 -2.01396  1.000 16.62752 ? 119 SER A C    1 
ATOM   1459 O O    . SER A 1 92  ? 17.39983 15.28318 -2.68514  1.000 21.06109 ? 119 SER A O    1 
ATOM   1460 C CB   . SER A 1 92  ? 17.56989 12.15442 -1.98915  1.000 11.64200 ? 119 SER A CB   1 
ATOM   1461 O OG   . SER A 1 92  ? 16.74263 12.36794 -3.10515  1.000 11.47869 ? 119 SER A OG   1 
ATOM   1462 H H    . SER A 1 92  ? 15.80244 13.30233 -0.84619  1.000 12.02515 ? 119 SER A H    1 
ATOM   1463 H HA   . SER A 1 92  ? 18.42302 13.23169 -0.51424  1.000 11.45244 ? 119 SER A HA   1 
ATOM   1464 H HB2  . SER A 1 92  ? 18.44230 11.86248 -2.29668  1.000 14.01356 ? 119 SER A HB2  1 
ATOM   1465 H HB3  . SER A 1 92  ? 17.17007 11.47130 -1.42844  1.000 14.01356 ? 119 SER A HB3  1 
ATOM   1466 H HG   . SER A 1 92  ? 17.05689 12.98387 -3.58208  1.000 13.81759 ? 119 SER A HG   1 
ATOM   1467 N N    . GLN A 1 93  ? 19.45728 14.96149 -1.92472  1.000 29.63161 ? 120 GLN A N    1 
ATOM   1468 C CA   . GLN A 1 93  ? 19.85870 16.17010 -2.64327  1.000 17.18684 ? 120 GLN A CA   1 
ATOM   1469 C C    . GLN A 1 93  ? 20.06706 15.89541 -4.12748  1.000 19.03578 ? 120 GLN A C    1 
ATOM   1470 O O    . GLN A 1 93  ? 20.30168 16.82731 -4.91333  1.000 17.07208 ? 120 GLN A O    1 
ATOM   1471 C CB   . GLN A 1 93  ? 21.11163 16.74030 -1.98894  1.000 24.00057 ? 120 GLN A CB   1 
ATOM   1472 C CG   . GLN A 1 93  ? 20.85357 17.31876 -0.58106  1.000 42.42354 ? 120 GLN A CG   1 
ATOM   1473 C CD   . GLN A 1 93  ? 19.49354 18.01048 -0.42575  1.000 40.71975 ? 120 GLN A CD   1 
ATOM   1474 O OE1  . GLN A 1 93  ? 19.05603 18.75624 -1.30893  1.000 46.75453 ? 120 GLN A OE1  1 
ATOM   1475 N NE2  . GLN A 1 93  ? 18.83991 17.79111 0.71616   1.000 44.85878 ? 120 GLN A NE2  1 
ATOM   1476 H H    . GLN A 1 93  ? 20.06865 14.54518 -1.48597  1.000 35.60109 ? 120 GLN A H    1 
ATOM   1477 H HA   . GLN A 1 93  ? 19.17624 16.85641 -2.57903  1.000 20.66736 ? 120 GLN A HA   1 
ATOM   1478 H HB2  . GLN A 1 93  ? 21.77110 16.03393 -1.90506  1.000 28.84384 ? 120 GLN A HB2  1 
ATOM   1479 H HB3  . GLN A 1 93  ? 21.45931 17.45436 -2.54583  1.000 28.84384 ? 120 GLN A HB3  1 
ATOM   1480 H HG2  . GLN A 1 93  ? 20.89050 16.59499 0.06369   1.000 50.95141 ? 120 GLN A HG2  1 
ATOM   1481 H HG3  . GLN A 1 93  ? 21.54087 17.97420 -0.38378  1.000 50.95141 ? 120 GLN A HG3  1 
ATOM   1482 H HE21 . GLN A 1 93  ? 19.18513 17.28366 1.31859   1.000 53.87369 ? 120 GLN A HE21 1 
ATOM   1483 H HE22 . GLN A 1 93  ? 18.07327 18.15712 0.84995   1.000 53.87369 ? 120 GLN A HE22 1 
ATOM   1484 N N    . ARG A 1 94  ? 19.95681 14.63421 -4.50899  1.000 14.51008 ? 121 ARG A N    1 
ATOM   1485 C CA   . ARG A 1 94  ? 20.18170 14.18185 -5.86929  1.000 14.20845 ? 121 ARG A CA   1 
ATOM   1486 C C    . ARG A 1 94  ? 19.49174 12.84095 -5.99666  1.000 12.66179 ? 121 ARG A C    1 
ATOM   1487 O O    . ARG A 1 94  ? 19.00684 12.28065 -5.01823  1.000 11.95897 ? 121 ARG A O    1 
ATOM   1488 C CB   . ARG A 1 94  ? 21.66706 14.02581 -6.15335  1.000 15.16795 ? 121 ARG A CB   1 
ATOM   1489 C CG   . ARG A 1 94  ? 22.30209 13.04952 -5.18780  1.000 21.17143 ? 121 ARG A CG   1 
ATOM   1490 C CD   . ARG A 1 94  ? 23.65015 12.73670 -5.63144  1.000 23.56581 ? 121 ARG A CD   1 
ATOM   1491 N NE   . ARG A 1 94  ? 24.38037 11.83952 -4.74873  1.000 17.11577 ? 121 ARG A NE   1 
ATOM   1492 C CZ   . ARG A 1 94  ? 24.51018 10.53884 -4.92176  1.000 18.58898 ? 121 ARG A CZ   1 
ATOM   1493 N NH1  . ARG A 1 94  ? 23.82853 9.89364  -5.85509  1.000 17.59377 ? 121 ARG A NH1  1 
ATOM   1494 N NH2  . ARG A 1 94  ? 25.38066 9.87700  -4.16220  1.000 17.08602 ? 121 ARG A NH2  1 
ATOM   1495 H H    . ARG A 1 94  ? 19.74376 13.99388 -3.97590  1.000 17.45525 ? 121 ARG A H    1 
ATOM   1496 H HA   . ARG A 1 94  ? 19.80848 14.81566 -6.50166  1.000 16.83436 ? 121 ARG A HA   1 
ATOM   1497 H HB2  . ARG A 1 94  ? 21.78966 13.69087 -7.05540  1.000 17.98576 ? 121 ARG A HB2  1 
ATOM   1498 H HB3  . ARG A 1 94  ? 22.10625 14.88519 -6.05601  1.000 17.98576 ? 121 ARG A HB3  1 
ATOM   1499 H HG2  . ARG A 1 94  ? 22.34714 13.44424 -4.30289  1.000 25.44887 ? 121 ARG A HG2  1 
ATOM   1500 H HG3  . ARG A 1 94  ? 21.78349 12.23028 -5.15964  1.000 25.44887 ? 121 ARG A HG3  1 
ATOM   1501 H HD2  . ARG A 1 94  ? 23.59932 12.31305 -6.50255  1.000 28.32213 ? 121 ARG A HD2  1 
ATOM   1502 H HD3  . ARG A 1 94  ? 24.15562 13.56230 -5.69303  1.000 28.32213 ? 121 ARG A HD3  1 
ATOM   1503 H HE   . ARG A 1 94  ? 24.75799 12.18577 -4.05800  1.000 20.58207 ? 121 ARG A HE   1 
ATOM   1504 H HH11 . ARG A 1 94  ? 23.28594 10.32325 -6.36561  1.000 21.15568 ? 121 ARG A HH11 1 
ATOM   1505 H HH12 . ARG A 1 94  ? 23.92824 9.04484  -5.95097  1.000 21.15568 ? 121 ARG A HH12 1 
ATOM   1506 H HH21 . ARG A 1 94  ? 25.84454 10.29816 -3.57310  1.000 20.54638 ? 121 ARG A HH21 1 
ATOM   1507 H HH22 . ARG A 1 94  ? 25.47904 9.02834  -4.26068  1.000 20.54638 ? 121 ARG A HH22 1 
ATOM   1508 N N    . ALA A 1 95  ? 19.48335 12.31196 -7.21142  1.000 14.02498 ? 122 ALA A N    1 
ATOM   1509 C CA   . ALA A 1 95  ? 18.96766 10.95934 -7.40618  1.000 11.61497 ? 122 ALA A CA   1 
ATOM   1510 C C    . ALA A 1 95  ? 19.99784 9.94268  -6.95608  1.000 11.14683 ? 122 ALA A C    1 
ATOM   1511 O O    . ALA A 1 95  ? 21.21168 10.11274 -7.16137  1.000 12.69653 ? 122 ALA A O    1 
ATOM   1512 C CB   . ALA A 1 95  ? 18.58630 10.73014 -8.85947  1.000 13.76655 ? 122 ALA A CB   1 
ATOM   1513 H H    . ALA A 1 95  ? 19.76323 12.70364 -7.92406  1.000 16.87314 ? 122 ALA A H    1 
ATOM   1514 H HA   . ALA A 1 95  ? 18.16529 10.83553 -6.87535  1.000 13.72219 ? 122 ALA A HA   1 
ATOM   1515 H HB1  . ALA A 1 95  ? 18.27273 9.81815  -8.96363  1.000 16.56302 ? 122 ALA A HB1  1 
ATOM   1516 H HB2  . ALA A 1 95  ? 17.88262 11.35173 -9.10312  1.000 16.56302 ? 122 ALA A HB2  1 
ATOM   1517 H HB3  . ALA A 1 95  ? 19.36583 10.87768 -9.41757  1.000 16.56302 ? 122 ALA A HB3  1 
ATOM   1518 N N    . TYR A 1 96  ? 19.51590 8.87853  -6.34291  1.000 10.63875 ? 123 TYR A N    1 
ATOM   1519 C CA   . TYR A 1 96  ? 20.35124 7.75031  -5.94947  1.000 9.61252  ? 123 TYR A CA   1 
ATOM   1520 C C    . TYR A 1 96  ? 20.03181 6.53754  -6.82049  1.000 10.17927 ? 123 TYR A C    1 
ATOM   1521 O O    . TYR A 1 96  ? 18.95917 6.43260  -7.40960  1.000 12.10473 ? 123 TYR A O    1 
ATOM   1522 C CB   . TYR A 1 96  ? 20.14459 7.40684  -4.46573  1.000 8.86880  ? 123 TYR A CB   1 
ATOM   1523 C CG   . TYR A 1 96  ? 20.88206 8.35315  -3.58940  1.000 8.86771  ? 123 TYR A CG   1 
ATOM   1524 C CD1  . TYR A 1 96  ? 20.38249 9.63301  -3.34648  1.000 9.03704  ? 123 TYR A CD1  1 
ATOM   1525 C CD2  . TYR A 1 96  ? 22.07338 8.00472  -3.00717  1.000 11.35156 ? 123 TYR A CD2  1 
ATOM   1526 C CE1  . TYR A 1 96  ? 21.07452 10.52865 -2.56547  1.000 12.89219 ? 123 TYR A CE1  1 
ATOM   1527 C CE2  . TYR A 1 96  ? 22.77072 8.89470  -2.24087  1.000 11.10410 ? 123 TYR A CE2  1 
ATOM   1528 C CZ   . TYR A 1 96  ? 22.26350 10.14578 -2.00344  1.000 10.47557 ? 123 TYR A CZ   1 
ATOM   1529 O OH   . TYR A 1 96  ? 22.94867 11.04755 -1.22911  1.000 18.46169 ? 123 TYR A OH   1 
ATOM   1530 H H    . TYR A 1 96  ? 18.68683 8.78011  -6.13664  1.000 12.80966 ? 123 TYR A H    1 
ATOM   1531 H HA   . TYR A 1 96  ? 21.28580 7.97691  -6.07654  1.000 11.31924 ? 123 TYR A HA   1 
ATOM   1532 H HB2  . TYR A 1 96  ? 19.20023 7.46164  -4.25104  1.000 10.68571 ? 123 TYR A HB2  1 
ATOM   1533 H HB3  . TYR A 1 96  ? 20.47233 6.51016  -4.29412  1.000 10.68571 ? 123 TYR A HB3  1 
ATOM   1534 H HD1  . TYR A 1 96  ? 19.56822 9.88450  -3.71880  1.000 10.62867 ? 123 TYR A HD1  1 
ATOM   1535 H HD2  . TYR A 1 96  ? 22.41225 7.14831  -3.13611  1.000 13.66503 ? 123 TYR A HD2  1 
ATOM   1536 H HE1  . TYR A 1 96  ? 20.73932 11.38397 -2.42065  1.000 15.51378 ? 123 TYR A HE1  1 
ATOM   1537 H HE2  . TYR A 1 96  ? 23.59213 8.65112  -1.87912  1.000 13.36808 ? 123 TYR A HE2  1 
ATOM   1538 H HH   . TYR A 1 96  ? 23.70020 10.73514 -1.02125  1.000 22.19718 ? 123 TYR A HH   1 
ATOM   1539 N N    . ARG A 1 97  ? 20.99564 5.63447  -6.92144  1.000 10.23882 ? 124 ARG A N    1 
ATOM   1540 C CA   . ARG A 1 97  ? 20.84252 4.45786  -7.77112  1.000 10.71572 ? 124 ARG A CA   1 
ATOM   1541 C C    . ARG A 1 97  ? 20.24403 3.31352  -6.95160  1.000 12.15892 ? 124 ARG A C    1 
ATOM   1542 O O    . ARG A 1 97  ? 20.88543 2.77293  -6.03757  1.000 11.86922 ? 124 ARG A O    1 
ATOM   1543 C CB   . ARG A 1 97  ? 22.18552 4.06695  -8.37154  1.000 12.83996 ? 124 ARG A CB   1 
ATOM   1544 C CG   . ARG A 1 97  ? 22.08475 2.92017  -9.34185  1.000 16.97212 ? 124 ARG A CG   1 
ATOM   1545 C CD   . ARG A 1 97  ? 23.45234 2.38125  -9.65889  1.000 21.77698 ? 124 ARG A CD   1 
ATOM   1546 N NE   . ARG A 1 97  ? 23.32085 1.06327  -10.25846 1.000 29.94668 ? 124 ARG A NE   1 
ATOM   1547 C CZ   . ARG A 1 97  ? 23.79133 -0.04692 -9.70936  1.000 34.02113 ? 124 ARG A CZ   1 
ATOM   1548 N NH1  . ARG A 1 97  ? 24.40904 -0.02818 -8.53722  1.000 32.80931 ? 124 ARG A NH1  1 
ATOM   1549 N NH2  . ARG A 1 97  ? 23.63519 -1.20087 -10.35040 1.000 48.64354 ? 124 ARG A NH2  1 
ATOM   1550 H H    . ARG A 1 97  ? 21.74872 5.67878  -6.50852  1.000 12.28349 ? 124 ARG A H    1 
ATOM   1551 H HA   . ARG A 1 97  ? 20.22460 4.65919  -8.49122  1.000 12.64309 ? 124 ARG A HA   1 
ATOM   1552 H HB2  . ARG A 1 97  ? 22.55191 4.82940  -8.84623  1.000 15.45110 ? 124 ARG A HB2  1 
ATOM   1553 H HB3  . ARG A 1 97  ? 22.78488 3.80214  -7.65633  1.000 15.45110 ? 124 ARG A HB3  1 
ATOM   1554 H HG2  . ARG A 1 97  ? 21.55446 2.20833  -8.95071  1.000 20.40970 ? 124 ARG A HG2  1 
ATOM   1555 H HG3  . ARG A 1 97  ? 21.67376 3.22578  -10.16561 1.000 20.40970 ? 124 ARG A HG3  1 
ATOM   1556 H HD2  . ARG A 1 97  ? 23.90090 2.96905  -10.28673 1.000 26.17554 ? 124 ARG A HD2  1 
ATOM   1557 H HD3  . ARG A 1 97  ? 23.97383 2.30568  -8.84450  1.000 26.17554 ? 124 ARG A HD3  1 
ATOM   1558 H HE   . ARG A 1 97  ? 22.91397 1.00065  -11.01353 1.000 35.97917 ? 124 ARG A HE   1 
ATOM   1559 H HH11 . ARG A 1 97  ? 24.51133 0.71511  -8.11691  1.000 39.41433 ? 124 ARG A HH11 1 
ATOM   1560 H HH12 . ARG A 1 97  ? 24.70765 -0.75930 -8.19680  1.000 39.41433 ? 124 ARG A HH12 1 
ATOM   1561 H HH21 . ARG A 1 97  ? 23.23346 -1.21954 -11.11058 1.000 58.41540 ? 124 ARG A HH21 1 
ATOM   1562 H HH22 . ARG A 1 97  ? 23.93589 -1.92877 -10.00497 1.000 58.41540 ? 124 ARG A HH22 1 
ATOM   1563 N N    . PHE A 1 98  ? 19.03434 2.91616  -7.31130  1.000 9.37877  ? 125 PHE A N    1 
ATOM   1564 C CA   . PHE A 1 98  ? 18.36498 1.78260  -6.69691  1.000 11.47948 ? 125 PHE A CA   1 
ATOM   1565 C C    . PHE A 1 98  ? 18.46474 0.54436  -7.57037  1.000 13.77505 ? 125 PHE A C    1 
ATOM   1566 O O    . PHE A 1 98  ? 18.38655 0.61787  -8.79688  1.000 16.67867 ? 125 PHE A O    1 
ATOM   1567 C CB   . PHE A 1 98  ? 16.89178 2.07379  -6.46923  1.000 10.62228 ? 125 PHE A CB   1 
ATOM   1568 C CG   . PHE A 1 98  ? 16.63170 3.09067  -5.41705  1.000 9.28417  ? 125 PHE A CG   1 
ATOM   1569 C CD1  . PHE A 1 98  ? 16.74079 4.44722  -5.70351  1.000 9.44674  ? 125 PHE A CD1  1 
ATOM   1570 C CD2  . PHE A 1 98  ? 16.21555 2.71125  -4.16145  1.000 6.75834  ? 125 PHE A CD2  1 
ATOM   1571 C CE1  . PHE A 1 98  ? 16.45037 5.37953  -4.75643  1.000 10.72129 ? 125 PHE A CE1  1 
ATOM   1572 C CE2  . PHE A 1 98  ? 15.91555 3.62783  -3.19903  1.000 8.53271  ? 125 PHE A CE2  1 
ATOM   1573 C CZ   . PHE A 1 98  ? 16.02657 4.99233  -3.49340  1.000 9.67659  ? 125 PHE A CZ   1 
ATOM   1574 H H    . PHE A 1 98  ? 18.56851 3.29745  -7.92548  1.000 11.03875 ? 125 PHE A H    1 
ATOM   1575 H HA   . PHE A 1 98  ? 18.80161 1.60667  -5.84879  1.000 13.81853 ? 125 PHE A HA   1 
ATOM   1576 H HB2  . PHE A 1 98  ? 16.50808 2.40170  -7.29757  1.000 12.78988 ? 125 PHE A HB2  1 
ATOM   1577 H HB3  . PHE A 1 98  ? 16.45037 1.25264  -6.20133  1.000 12.78988 ? 125 PHE A HB3  1 
ATOM   1578 H HD1  . PHE A 1 98  ? 17.01459 4.71925  -6.54963  1.000 11.37924 ? 125 PHE A HD1  1 
ATOM   1579 H HD2  . PHE A 1 98  ? 16.13705 1.80569  -3.96471  1.000 8.15317  ? 125 PHE A HD2  1 
ATOM   1580 H HE1  . PHE A 1 98  ? 16.53658 6.28351  -4.95717  1.000 12.90870 ? 125 PHE A HE1  1 
ATOM   1581 H HE2  . PHE A 1 98  ? 15.63989 3.35012  -2.35535  1.000 10.28241 ? 125 PHE A HE2  1 
ATOM   1582 H HZ   . PHE A 1 98  ? 15.81878 5.63110  -2.85020  1.000 11.65506 ? 125 PHE A HZ   1 
ATOM   1583 N N    . VAL A 1 99  ? 18.64360 -0.58729 -6.92415  1.000 13.91869 ? 126 VAL A N    1 
ATOM   1584 C CA   . VAL A 1 99  ? 18.47487 -1.87186 -7.56519  1.000 16.39837 ? 126 VAL A CA   1 
ATOM   1585 C C    . VAL A 1 99  ? 17.42989 -2.58549 -6.72630  1.000 13.26767 ? 126 VAL A C    1 
ATOM   1586 O O    . VAL A 1 99  ? 17.15956 -2.23514 -5.57186  1.000 11.65816 ? 126 VAL A O    1 
ATOM   1587 C CB   . VAL A 1 99  ? 19.75437 -2.70247 -7.67663  1.000 18.52284 ? 126 VAL A CB   1 
ATOM   1588 C CG1  . VAL A 1 99  ? 20.88224 -1.94637 -8.41545  1.000 24.02015 ? 126 VAL A CG1  1 
ATOM   1589 C CG2  . VAL A 1 99  ? 20.22643 -3.14080 -6.31728  1.000 23.43404 ? 126 VAL A CG2  1 
ATOM   1590 H H    . VAL A 1 99  ? 18.86791 -0.63859 -6.09550  1.000 16.74559 ? 126 VAL A H    1 
ATOM   1591 H HA   . VAL A 1 99  ? 18.17619 -1.75408 -8.48052  1.000 19.72120 ? 126 VAL A HA   1 
ATOM   1592 H HB   . VAL A 1 99  ? 19.54193 -3.48862 -8.20364  1.000 22.27056 ? 126 VAL A HB   1 
ATOM   1593 H HG11 . VAL A 1 99  ? 21.65517 -2.52755 -8.49105  1.000 28.86733 ? 126 VAL A HG11 1 
ATOM   1594 H HG12 . VAL A 1 99  ? 20.56882 -1.69624 -9.29869  1.000 28.86733 ? 126 VAL A HG12 1 
ATOM   1595 H HG13 . VAL A 1 99  ? 21.11397 -1.15193 -7.90943  1.000 28.86733 ? 126 VAL A HG13 1 
ATOM   1596 H HG21 . VAL A 1 99  ? 21.14742 -3.43795 -6.38347  1.000 28.16400 ? 126 VAL A HG21 1 
ATOM   1597 H HG22 . VAL A 1 99  ? 20.16385 -2.39150 -5.70447  1.000 28.16400 ? 126 VAL A HG22 1 
ATOM   1598 H HG23 . VAL A 1 99  ? 19.66534 -3.86900 -6.00778  1.000 28.16400 ? 126 VAL A HG23 1 
ATOM   1599 N N    . GLN A 1 100 ? 16.80312 -3.55446 -7.33593  1.000 15.31329 ? 127 GLN A N    1 
ATOM   1600 C CA   . GLN A 1 100 ? 15.76971 -4.29460 -6.64557  1.000 11.70557 ? 127 GLN A CA   1 
ATOM   1601 C C    . GLN A 1 100 ? 16.33099 -4.86351 -5.33991  1.000 11.65415 ? 127 GLN A C    1 
ATOM   1602 O O    . GLN A 1 100 ? 17.35279 -5.55768 -5.32944  1.000 15.42748 ? 127 GLN A O    1 
ATOM   1603 C CB   . GLN A 1 100 ? 15.26081 -5.37298 -7.59920  1.000 13.42113 ? 127 GLN A CB   1 
ATOM   1604 C CG   . GLN A 1 100 ? 14.03163 -6.01726 -7.14727  1.000 14.60345 ? 127 GLN A CG   1 
ATOM   1605 C CD   . GLN A 1 100 ? 13.35695 -6.80746 -8.23051  1.000 15.14813 ? 127 GLN A CD   1 
ATOM   1606 O OE1  . GLN A 1 100 ? 13.11545 -6.32611 -9.35095  1.000 15.52102 ? 127 GLN A OE1  1 
ATOM   1607 N NE2  . GLN A 1 100 ? 13.07848 -8.04981 -7.93011  1.000 16.53673 ? 127 GLN A NE2  1 
ATOM   1608 H H    . GLN A 1 100 ? 16.95138 -3.80712 -8.14450  1.000 18.41910 ? 127 GLN A H    1 
ATOM   1609 H HA   . GLN A 1 100 ? 15.01547 -3.73807 -6.39600  1.000 13.83091 ? 127 GLN A HA   1 
ATOM   1610 H HB2  . GLN A 1 100 ? 15.08406 -4.96850 -8.46295  1.000 15.88958 ? 127 GLN A HB2  1 
ATOM   1611 H HB3  . GLN A 1 100 ? 15.94092 -6.05900 -7.68706  1.000 15.88958 ? 127 GLN A HB3  1 
ATOM   1612 H HG2  . GLN A 1 100 ? 14.24181 -6.62398 -6.42021  1.000 17.56730 ? 127 GLN A HG2  1 
ATOM   1613 H HG3  . GLN A 1 100 ? 13.41166 -5.33636 -6.84246  1.000 17.56730 ? 127 GLN A HG3  1 
ATOM   1614 H HE21 . GLN A 1 100 ? 13.28224 -8.36073 -7.15460  1.000 19.62830 ? 127 GLN A HE21 1 
ATOM   1615 H HE22 . GLN A 1 100 ? 12.69165 -8.55565 -8.50812  1.000 19.62830 ? 127 GLN A HE22 1 
ATOM   1616 N N    . GLY A 1 101 ? 15.63102 -4.60213 -4.24181  1.000 10.37173 ? 128 GLY A N    1 
ATOM   1617 C CA   . GLY A 1 101 ? 16.03621 -5.07125 -2.92682  1.000 17.53532 ? 128 GLY A CA   1 
ATOM   1618 C C    . GLY A 1 101 ? 16.92360 -4.11452 -2.16638  1.000 13.39038 ? 128 GLY A C    1 
ATOM   1619 O O    . GLY A 1 101 ? 17.33936 -4.43677 -1.03134  1.000 17.90543 ? 128 GLY A O    1 
ATOM   1620 H H    . GLY A 1 101 ? 14.90254 -4.14512 -4.23436  1.000 12.23030 ? 128 GLY A H    1 
ATOM   1621 H HA2  . GLY A 1 101 ? 15.24162 -5.22796 -2.39300  1.000 21.08554 ? 128 GLY A HA2  1 
ATOM   1622 H HA3  . GLY A 1 101 ? 16.51819 -5.90686 -3.02855  1.000 21.08554 ? 128 GLY A HA3  1 
ATOM   1623 N N    . LYS A 1 102 ? 17.31357 -3.02033 -2.79718  1.000 8.88795  ? 129 LYS A N    1 
ATOM   1624 C CA   . LYS A 1 102 ? 18.18857 -2.01755 -2.21231  1.000 13.64835 ? 129 LYS A CA   1 
ATOM   1625 C C    . LYS A 1 102 ? 17.37421 -0.84023 -1.68677  1.000 12.46115 ? 129 LYS A C    1 
ATOM   1626 O O    . LYS A 1 102 ? 16.37566 -0.41210 -2.29537  1.000 6.72238  ? 129 LYS A O    1 
ATOM   1627 C CB   . LYS A 1 102 ? 19.22280 -1.52422 -3.22516  1.000 18.71024 ? 129 LYS A CB   1 
ATOM   1628 C CG   . LYS A 1 102 ? 20.26612 -0.55835 -2.60192  1.000 22.32924 ? 129 LYS A CG   1 
ATOM   1629 C CD   . LYS A 1 102 ? 21.40309 -0.24925 -3.55829  1.000 26.67799 ? 129 LYS A CD   1 
ATOM   1630 C CE   . LYS A 1 102 ? 22.46319 0.63187  -2.88110  1.000 27.25476 ? 129 LYS A CE   1 
ATOM   1631 N NZ   . LYS A 1 102 ? 23.09884 -0.00235 -1.67095  1.000 27.53132 ? 129 LYS A NZ   1 
ATOM   1632 H H    . LYS A 1 102 ? 17.07470 -2.82683 -3.60036  1.000 10.51831 ? 129 LYS A H    1 
ATOM   1633 H HA   . LYS A 1 102 ? 18.66355 -2.41402 -1.46525  1.000 16.42118 ? 129 LYS A HA   1 
ATOM   1634 H HB2  . LYS A 1 102 ? 19.69952 -2.28799 -3.58611  1.000 22.49544 ? 129 LYS A HB2  1 
ATOM   1635 H HB3  . LYS A 1 102 ? 18.76516 -1.05164 -3.93800  1.000 22.49544 ? 129 LYS A HB3  1 
ATOM   1636 H HG2  . LYS A 1 102 ? 19.82971 0.27675  -2.37157  1.000 26.83824 ? 129 LYS A HG2  1 
ATOM   1637 H HG3  . LYS A 1 102 ? 20.64288 -0.96620 -1.80656  1.000 26.83824 ? 129 LYS A HG3  1 
ATOM   1638 H HD2  . LYS A 1 102 ? 21.82441 -1.07681 -3.83854  1.000 32.05675 ? 129 LYS A HD2  1 
ATOM   1639 H HD3  . LYS A 1 102 ? 21.05678 0.22480  -4.33046  1.000 32.05675 ? 129 LYS A HD3  1 
ATOM   1640 H HE2  . LYS A 1 102 ? 23.16802 0.81956  -3.52054  1.000 32.74886 ? 129 LYS A HE2  1 
ATOM   1641 H HE3  . LYS A 1 102 ? 22.04534 1.45937  -2.59553  1.000 32.74886 ? 129 LYS A HE3  1 
ATOM   1642 H HZ1  . LYS A 1 102 ? 22.48354 -0.14653 -1.04427  1.000 33.08074 ? 129 LYS A HZ1  1 
ATOM   1643 H HZ2  . LYS A 1 102 ? 23.47096 -0.77929 -1.89454  1.000 33.08074 ? 129 LYS A HZ2  1 
ATOM   1644 H HZ3  . LYS A 1 102 ? 23.72724 0.53443  -1.34066  1.000 33.08074 ? 129 LYS A HZ3  1 
ATOM   1645 N N    . ASP A 1 103 ? 17.81795 -0.30741 -0.54827  1.000 9.39550  ? 130 ASP A N    1 
ATOM   1646 C CA   . ASP A 1 103 ? 17.19947 0.88017  0.01115   1.000 7.30311  ? 130 ASP A CA   1 
ATOM   1647 C C    . ASP A 1 103 ? 18.16127 2.05775  0.06481   1.000 6.71918  ? 130 ASP A C    1 
ATOM   1648 O O    . ASP A 1 103 ? 19.37712 1.90472  0.02434   1.000 8.07955  ? 130 ASP A O    1 
ATOM   1649 C CB   . ASP A 1 103 ? 16.59230 0.58568  1.39849   1.000 7.15942  ? 130 ASP A CB   1 
ATOM   1650 C CG   . ASP A 1 103 ? 17.60284 0.23353  2.45827   1.000 16.67087 ? 130 ASP A CG   1 
ATOM   1651 O OD1  . ASP A 1 103 ? 18.74789 0.71563  2.43342   1.000 18.10066 ? 130 ASP A OD1  1 
ATOM   1652 O OD2  . ASP A 1 103 ? 17.19831 -0.53073 3.37233   1.000 19.44294 ? 130 ASP A OD2  1 
ATOM   1653 H H    . ASP A 1 103 ? 18.47396 -0.61940 -0.08792  1.000 11.31776 ? 130 ASP A H    1 
ATOM   1654 H HA   . ASP A 1 103 ? 16.48277 1.16168  -0.57876  1.000 8.80688  ? 130 ASP A HA   1 
ATOM   1655 H HB2  . ASP A 1 103 ? 16.11353 1.37336  1.70055   1.000 8.63445  ? 130 ASP A HB2  1 
ATOM   1656 H HB3  . ASP A 1 103 ? 15.98099 -0.16296 1.31643   1.000 8.63445  ? 130 ASP A HB3  1 
ATOM   1657 N N    . TRP A 1 104 ? 17.56953 3.24539  0.17873   1.000 6.14629  ? 131 TRP A N    1 
ATOM   1658 C CA   . TRP A 1 104 ? 18.26427 4.46275  0.50511   1.000 5.91846  ? 131 TRP A CA   1 
ATOM   1659 C C    . TRP A 1 104 ? 17.38033 5.26476  1.44486   1.000 6.33150  ? 131 TRP A C    1 
ATOM   1660 O O    . TRP A 1 104 ? 16.14794 5.19117  1.35623   1.000 6.78794  ? 131 TRP A O    1 
ATOM   1661 C CB   . TRP A 1 104 ? 18.55791 5.32156  -0.73068  1.000 7.16963  ? 131 TRP A CB   1 
ATOM   1662 C CG   . TRP A 1 104 ? 19.62482 4.78258  -1.61768  1.000 7.14078  ? 131 TRP A CG   1 
ATOM   1663 C CD1  . TRP A 1 104 ? 19.44298 4.16482  -2.80856  1.000 8.41170  ? 131 TRP A CD1  1 
ATOM   1664 C CD2  . TRP A 1 104 ? 21.05157 4.85740  -1.41170  1.000 7.55620  ? 131 TRP A CD2  1 
ATOM   1665 N NE1  . TRP A 1 104 ? 20.65164 3.79654  -3.34199  1.000 8.44511  ? 131 TRP A NE1  1 
ATOM   1666 C CE2  . TRP A 1 104 ? 21.65763 4.22904  -2.51382  1.000 8.35624  ? 131 TRP A CE2  1 
ATOM   1667 C CE3  . TRP A 1 104 ? 21.86406 5.36908  -0.39583  1.000 9.79657  ? 131 TRP A CE3  1 
ATOM   1668 C CZ2  . TRP A 1 104 ? 23.03601 4.11010  -2.64685  1.000 9.45458  ? 131 TRP A CZ2  1 
ATOM   1669 C CZ3  . TRP A 1 104 ? 23.25234 5.24715  -0.53013  1.000 8.39882  ? 131 TRP A CZ3  1 
ATOM   1670 C CH2  . TRP A 1 104 ? 23.81545 4.64324  -1.65521  1.000 10.06966 ? 131 TRP A CH2  1 
ATOM   1671 H H    . TRP A 1 104 ? 16.72578 3.36594  0.06407   1.000 7.15977  ? 131 TRP A H    1 
ATOM   1672 H HA   . TRP A 1 104 ? 19.10860 4.24591  0.93054   1.000 6.88638  ? 131 TRP A HA   1 
ATOM   1673 H HB2  . TRP A 1 104 ? 17.74674 5.39206  -1.25787  1.000 8.64671  ? 131 TRP A HB2  1 
ATOM   1674 H HB3  . TRP A 1 104 ? 18.83935 6.20168  -0.43560  1.000 8.64671  ? 131 TRP A HB3  1 
ATOM   1675 H HD1  . TRP A 1 104 ? 18.61697 4.01210  -3.20766  1.000 10.13720 ? 131 TRP A HD1  1 
ATOM   1676 H HE1  . TRP A 1 104 ? 20.76171 3.36412  -4.07718  1.000 9.91836  ? 131 TRP A HE1  1 
ATOM   1677 H HE3  . TRP A 1 104 ? 21.49174 5.78025  0.35064   1.000 11.79904 ? 131 TRP A HE3  1 
ATOM   1678 H HZ2  . TRP A 1 104 ? 23.41477 3.68437  -3.38183  1.000 11.38865 ? 131 TRP A HZ2  1 
ATOM   1679 H HZ3  . TRP A 1 104 ? 23.80771 5.57357  0.14062   1.000 9.86281  ? 131 TRP A HZ3  1 
ATOM   1680 H HH2  . TRP A 1 104 ? 24.74125 4.60194  -1.73327  1.000 12.12675 ? 131 TRP A HH2  1 
ATOM   1681 N N    . GLY A 1 105 ? 18.01132 5.98751  2.35905   1.000 5.43327  ? 132 GLY A N    1 
ATOM   1682 C CA   . GLY A 1 105 ? 17.24765 6.84473  3.25141   1.000 6.21817  ? 132 GLY A CA   1 
ATOM   1683 C C    . GLY A 1 105 ? 18.08688 7.42174  4.33870   1.000 8.16795  ? 132 GLY A C    1 
ATOM   1684 O O    . GLY A 1 105 ? 19.28173 7.67436  4.15343   1.000 6.74054  ? 132 GLY A O    1 
ATOM   1685 H H    . GLY A 1 105 ? 18.86253 5.99965  2.48110   1.000 6.56307  ? 132 GLY A H    1 
ATOM   1686 H HA2  . GLY A 1 105 ? 16.86159 7.57519  2.74318   1.000 7.50496  ? 132 GLY A HA2  1 
ATOM   1687 H HA3  . GLY A 1 105 ? 16.53274 6.33021  3.65770   1.000 7.50496  ? 132 GLY A HA3  1 
ATOM   1688 N N    . PHE A 1 106 ? 17.43088 7.70043  5.46058   1.000 6.33875  ? 133 PHE A N    1 
ATOM   1689 C CA   . PHE A 1 106 ? 18.03545 8.49133  6.52648   1.000 6.44359  ? 133 PHE A CA   1 
ATOM   1690 C C    . PHE A 1 106 ? 18.14192 7.64092  7.77814   1.000 5.32645  ? 133 PHE A C    1 
ATOM   1691 O O    . PHE A 1 106 ? 17.13655 7.31048  8.41189   1.000 6.40833  ? 133 PHE A O    1 
ATOM   1692 C CB   . PHE A 1 106 ? 17.23529 9.76299  6.80281   1.000 5.80211  ? 133 PHE A CB   1 
ATOM   1693 C CG   . PHE A 1 106 ? 17.06685 10.65671 5.60741   1.000 5.01509  ? 133 PHE A CG   1 
ATOM   1694 C CD1  . PHE A 1 106 ? 18.06995 11.49270 5.22410   1.000 8.22035  ? 133 PHE A CD1  1 
ATOM   1695 C CD2  . PHE A 1 106 ? 15.88212 10.64599 4.88897   1.000 6.85440  ? 133 PHE A CD2  1 
ATOM   1696 C CE1  . PHE A 1 106 ? 17.91893 12.32000 4.13344   1.000 8.05758  ? 133 PHE A CE1  1 
ATOM   1697 C CE2  . PHE A 1 106 ? 15.72982 11.45581 3.81378   1.000 5.37261  ? 133 PHE A CE2  1 
ATOM   1698 C CZ   . PHE A 1 106 ? 16.75529 12.28722 3.42113   1.000 6.51633  ? 133 PHE A CZ   1 
ATOM   1699 H H    . PHE A 1 106 ? 16.62849 7.44012  5.62792   1.000 7.64966  ? 133 PHE A H    1 
ATOM   1700 H HA   . PHE A 1 106 ? 18.93118 8.74264  6.25186   1.000 7.77546  ? 133 PHE A HA   1 
ATOM   1701 H HB2  . PHE A 1 106 ? 16.34993 9.51185  7.10936   1.000 7.00568  ? 133 PHE A HB2  1 
ATOM   1702 H HB3  . PHE A 1 106 ? 17.69179 10.27352 7.48973   1.000 7.00568  ? 133 PHE A HB3  1 
ATOM   1703 H HD1  . PHE A 1 106 ? 18.86642 11.50549 5.70406   1.000 9.90757  ? 133 PHE A HD1  1 
ATOM   1704 H HD2  . PHE A 1 106 ? 15.18937 10.08110 5.14570   1.000 8.26843  ? 133 PHE A HD2  1 
ATOM   1705 H HE1  . PHE A 1 106 ? 18.60471 12.89663 3.88424   1.000 9.71225  ? 133 PHE A HE1  1 
ATOM   1706 H HE2  . PHE A 1 106 ? 14.93008 11.45036 3.33913   1.000 6.49029  ? 133 PHE A HE2  1 
ATOM   1707 H HZ   . PHE A 1 106 ? 16.65469 12.82655 2.67020   1.000 7.86276  ? 133 PHE A HZ   1 
ATOM   1708 N N    . LYS A 1 107 ? 19.37008 7.29959  8.17128   1.000 5.71777  ? 134 LYS A N    1 
ATOM   1709 C CA   . LYS A 1 107 ? 19.53144 6.51773  9.38718   1.000 6.27105  ? 134 LYS A CA   1 
ATOM   1710 C C    . LYS A 1 107 ? 19.14155 7.32371  10.60929  1.000 7.25862  ? 134 LYS A C    1 
ATOM   1711 O O    . LYS A 1 107 ? 18.70229 6.75186  11.62143  1.000 6.81280  ? 134 LYS A O    1 
ATOM   1712 C CB   . LYS A 1 107 ? 20.97091 6.03411  9.54141   1.000 8.43845  ? 134 LYS A CB   1 
ATOM   1713 C CG   . LYS A 1 107 ? 21.05602 4.94030  10.52284  1.000 14.42102 ? 134 LYS A CG   1 
ATOM   1714 C CD   . LYS A 1 107 ? 22.32303 4.15010  10.38344  1.000 22.18925 ? 134 LYS A CD   1 
ATOM   1715 C CE   . LYS A 1 107 ? 23.47531 4.82980  11.02207  1.000 23.17372 ? 134 LYS A CE   1 
ATOM   1716 N NZ   . LYS A 1 107 ? 24.74249 4.02705  10.76979  1.000 33.03690 ? 134 LYS A NZ   1 
ATOM   1717 H H    . LYS A 1 107 ? 20.09938 7.50290  7.76338   1.000 6.64555  ? 134 LYS A H    1 
ATOM   1718 H HA   . LYS A 1 107 ? 18.96051 5.73640  9.32038   1.000 7.56841  ? 134 LYS A HA   1 
ATOM   1719 H HB2  . LYS A 1 107 ? 21.29483 5.70759  8.68738   1.000 10.16929 ? 134 LYS A HB2  1 
ATOM   1720 H HB3  . LYS A 1 107 ? 21.52652 6.76749  9.84856   1.000 10.16929 ? 134 LYS A HB3  1 
ATOM   1721 H HG2  . LYS A 1 107 ? 21.02969 5.31286  11.41805  1.000 17.34838 ? 134 LYS A HG2  1 
ATOM   1722 H HG3  . LYS A 1 107 ? 20.30802 4.33661  10.39260  1.000 17.34838 ? 134 LYS A HG3  1 
ATOM   1723 H HD2  . LYS A 1 107 ? 22.20844 3.28549  10.80796  1.000 26.67025 ? 134 LYS A HD2  1 
ATOM   1724 H HD3  . LYS A 1 107 ? 22.52450 4.03327  9.44182   1.000 26.67025 ? 134 LYS A HD3  1 
ATOM   1725 H HE2  . LYS A 1 107 ? 23.58523 5.71603  10.64339  1.000 27.85162 ? 134 LYS A HE2  1 
ATOM   1726 H HE3  . LYS A 1 107 ? 23.33012 4.89358  11.97902  1.000 27.85162 ? 134 LYS A HE3  1 
ATOM   1727 H HZ1  . LYS A 1 107 ? 25.44132 4.43798  11.13704  1.000 39.68743 ? 134 LYS A HZ1  1 
ATOM   1728 H HZ2  . LYS A 1 107 ? 24.66463 3.21530  11.12628  1.000 39.68743 ? 134 LYS A HZ2  1 
ATOM   1729 H HZ3  . LYS A 1 107 ? 24.88228 3.94596  9.89458   1.000 39.68743 ? 134 LYS A HZ3  1 
ATOM   1730 N N    . LYS A 1 108 ? 19.27314 8.64723  10.53645  1.000 6.42158  ? 135 LYS A N    1 
ATOM   1731 C CA   . LYS A 1 108 ? 18.91572 9.53940  11.63477  1.000 6.71209  ? 135 LYS A CA   1 
ATOM   1732 C C    . LYS A 1 108 ? 17.83183 10.49429 11.15019  1.000 7.64513  ? 135 LYS A C    1 
ATOM   1733 O O    . LYS A 1 108 ? 18.03702 11.71923 11.04586  1.000 8.26163  ? 135 LYS A O    1 
ATOM   1734 C CB   . LYS A 1 108 ? 20.14560 10.26718 12.15531  1.000 8.21000  ? 135 LYS A CB   1 
ATOM   1735 C CG   . LYS A 1 108 ? 21.14489 9.33143  12.81372  1.000 9.15946  ? 135 LYS A CG   1 
ATOM   1736 C CD   . LYS A 1 108 ? 22.27570 10.15470 13.42055  1.000 13.62919 ? 135 LYS A CD   1 
ATOM   1737 C CE   . LYS A 1 108 ? 23.06901 9.39655  14.47441  1.000 24.73745 ? 135 LYS A CE   1 
ATOM   1738 N NZ   . LYS A 1 108 ? 24.36689 10.08563 14.82063  1.000 24.84264 ? 135 LYS A NZ   1 
ATOM   1739 H H    . LYS A 1 108 ? 19.57437 9.05941  9.84438   1.000 7.49013  ? 135 LYS A H    1 
ATOM   1740 H HA   . LYS A 1 108 ? 18.54681 9.02193  12.36760  1.000 7.83873  ? 135 LYS A HA   1 
ATOM   1741 H HB2  . LYS A 1 108 ? 20.58949 10.70771 11.41383  1.000 9.89515  ? 135 LYS A HB2  1 
ATOM   1742 H HB3  . LYS A 1 108 ? 19.86920 10.92358 12.81383  1.000 9.89515  ? 135 LYS A HB3  1 
ATOM   1743 H HG2  . LYS A 1 108 ? 20.70983 8.82657  13.51852  1.000 11.03451 ? 135 LYS A HG2  1 
ATOM   1744 H HG3  . LYS A 1 108 ? 21.51585 8.72625  12.15262  1.000 11.03451 ? 135 LYS A HG3  1 
ATOM   1745 H HD2  . LYS A 1 108 ? 22.88933 10.41465 12.71572  1.000 16.39818 ? 135 LYS A HD2  1 
ATOM   1746 H HD3  . LYS A 1 108 ? 21.90005 10.94392 13.84116  1.000 16.39818 ? 135 LYS A HD3  1 
ATOM   1747 H HE2  . LYS A 1 108 ? 22.53859 9.32823  15.28366  1.000 29.72809 ? 135 LYS A HE2  1 
ATOM   1748 H HE3  . LYS A 1 108 ? 23.27799 8.51072  14.13895  1.000 29.72809 ? 135 LYS A HE3  1 
ATOM   1749 H HZ1  . LYS A 1 108 ? 24.20892 10.92594 15.06764  1.000 29.85433 ? 135 LYS A HZ1  1 
ATOM   1750 H HZ2  . LYS A 1 108 ? 24.76915 9.65860  15.48990  1.000 29.85433 ? 135 LYS A HZ2  1 
ATOM   1751 H HZ3  . LYS A 1 108 ? 24.90765 10.08915 14.11376  1.000 29.85433 ? 135 LYS A HZ3  1 
ATOM   1752 N N    . PHE A 1 109 ? 16.66111 9.92925  10.85897  1.000 5.43880  ? 136 PHE A N    1 
ATOM   1753 C CA   . PHE A 1 109 ? 15.60224 10.73434 10.26068  1.000 4.98190  ? 136 PHE A CA   1 
ATOM   1754 C C    . PHE A 1 109 ? 15.00216 11.71307 11.25954  1.000 7.12713  ? 136 PHE A C    1 
ATOM   1755 O O    . PHE A 1 109 ? 14.80092 12.89225 10.92611  1.000 6.32308  ? 136 PHE A O    1 
ATOM   1756 C CB   . PHE A 1 109 ? 14.51077 9.84088  9.70594   1.000 5.25243  ? 136 PHE A CB   1 
ATOM   1757 C CG   . PHE A 1 109 ? 13.40373 10.62296 9.10794   1.000 5.52329  ? 136 PHE A CG   1 
ATOM   1758 C CD1  . PHE A 1 109 ? 13.61694 11.41432 8.00976   1.000 10.08441 ? 136 PHE A CD1  1 
ATOM   1759 C CD2  . PHE A 1 109 ? 12.13474 10.55091 9.67217   1.000 9.34562  ? 136 PHE A CD2  1 
ATOM   1760 C CE1  . PHE A 1 109 ? 12.59223 12.18451 7.46927   1.000 7.75676  ? 136 PHE A CE1  1 
ATOM   1761 C CE2  . PHE A 1 109 ? 11.10543 11.26887 9.10474   1.000 10.00266 ? 136 PHE A CE2  1 
ATOM   1762 C CZ   . PHE A 1 109 ? 11.36990 12.12077 8.02862   1.000 7.35603  ? 136 PHE A CZ   1 
ATOM   1763 H H    . PHE A 1 109 ? 16.46037 9.10404  10.99437  1.000 6.56971  ? 136 PHE A H    1 
ATOM   1764 H HA   . PHE A 1 109 ? 15.99082 11.24142 9.53077   1.000 6.02143  ? 136 PHE A HA   1 
ATOM   1765 H HB2  . PHE A 1 109 ? 14.88568 9.27000  9.01715   1.000 6.34607  ? 136 PHE A HB2  1 
ATOM   1766 H HB3  . PHE A 1 109 ? 14.14668 9.29945  10.42371  1.000 6.34607  ? 136 PHE A HB3  1 
ATOM   1767 H HD1  . PHE A 1 109 ? 14.46069 11.43690 7.61927   1.000 12.14445 ? 136 PHE A HD1  1 
ATOM   1768 H HD2  . PHE A 1 109 ? 11.98296 10.02431 10.42354  1.000 11.25790 ? 136 PHE A HD2  1 
ATOM   1769 H HE1  . PHE A 1 109 ? 12.74902 12.73328 6.73498   1.000 9.35127  ? 136 PHE A HE1  1 
ATOM   1770 H HE2  . PHE A 1 109 ? 10.24004 11.18738 9.43545   1.000 12.04634 ? 136 PHE A HE2  1 
ATOM   1771 H HZ   . PHE A 1 109 ? 10.68684 12.65473 7.69213   1.000 8.87040  ? 136 PHE A HZ   1 
ATOM   1772 N N    . ILE A 1 110 ? 14.71235 11.26317 12.47382  1.000 7.42648  ? 137 ILE A N    1 
ATOM   1773 C CA   A ILE A 1 110 ? 14.23639 12.16538 13.50711  0.574 5.93496  ? 137 ILE A CA   1 
ATOM   1774 C CA   B ILE A 1 110 ? 14.16618 12.14101 13.50885  0.426 5.95688  ? 137 ILE A CA   1 
ATOM   1775 C C    . ILE A 1 110 ? 14.51048 11.55077 14.86442  1.000 6.40741  ? 137 ILE A C    1 
ATOM   1776 O O    . ILE A 1 110 ? 14.40292 10.33942 15.06543  1.000 6.56028  ? 137 ILE A O    1 
ATOM   1777 C CB   A ILE A 1 110 ? 12.73498 12.50127 13.32559  0.574 6.39252  ? 137 ILE A CB   1 
ATOM   1778 C CB   B ILE A 1 110 ? 12.63741 12.31609 13.33138  0.426 6.30290  ? 137 ILE A CB   1 
ATOM   1779 C CG1  A ILE A 1 110 ? 12.36189 13.62441 14.29936  0.574 9.91768  ? 137 ILE A CG1  1 
ATOM   1780 C CG1  B ILE A 1 110 ? 12.10358 13.42786 14.24092  0.426 10.34637 ? 137 ILE A CG1  1 
ATOM   1781 C CG2  A ILE A 1 110 ? 11.84822 11.29358 13.53435  0.574 8.47005  ? 137 ILE A CG2  1 
ATOM   1782 C CG2  B ILE A 1 110 ? 11.87877 11.02075 13.61971  0.426 8.80980  ? 137 ILE A CG2  1 
ATOM   1783 C CD1  A ILE A 1 110 ? 11.39723 14.57140 13.77909  0.574 8.15972  ? 137 ILE A CD1  1 
ATOM   1784 C CD1  B ILE A 1 110 ? 12.59824 14.77713 13.88907  0.426 8.63942  ? 137 ILE A CD1  1 
ATOM   1785 H H    A ILE A 1 110 ? 14.78355 10.44248 12.72080  0.574 8.95494  ? 137 ILE A H    1 
ATOM   1786 H H    B ILE A 1 110 ? 14.82257 10.44892 12.72769  0.426 8.95494  ? 137 ILE A H    1 
ATOM   1787 H HA   A ILE A 1 110 ? 14.74419 12.98956 13.44569  0.574 7.16510  ? 137 ILE A HA   1 
ATOM   1788 H HA   B ILE A 1 110 ? 14.58752 13.01240 13.44518  0.426 7.19141  ? 137 ILE A HA   1 
ATOM   1789 H HB   A ILE A 1 110 ? 12.59476 12.79176 12.41079  0.574 7.71418  ? 137 ILE A HB   1 
ATOM   1790 H HB   B ILE A 1 110 ? 12.49328 12.55993 12.40365  0.426 7.60663  ? 137 ILE A HB   1 
ATOM   1791 H HG12 A ILE A 1 110 ? 11.98159 13.22742 15.09852  0.574 11.94437 ? 137 ILE A HG12 1 
ATOM   1792 H HG12 B ILE A 1 110 ? 11.13561 13.44252 14.17988  0.426 12.45880 ? 137 ILE A HG12 1 
ATOM   1793 H HG13 A ILE A 1 110 ? 13.16575 14.11837 14.52459  0.574 11.94437 ? 137 ILE A HG13 1 
ATOM   1794 H HG13 B ILE A 1 110 ? 12.37568 13.24170 15.15317  0.426 12.45880 ? 137 ILE A HG13 1 
ATOM   1795 H HG21 A ILE A 1 110 ? 10.93773 11.52475 13.29257  0.574 10.20721 ? 137 ILE A HG21 1 
ATOM   1796 H HG21 B ILE A 1 110 ? 10.96025 11.12026 13.32423  0.426 10.61492 ? 137 ILE A HG21 1 
ATOM   1797 H HG22 A ILE A 1 110 ? 12.16533 10.56826 12.97376  0.574 10.20721 ? 137 ILE A HG22 1 
ATOM   1798 H HG22 B ILE A 1 110 ? 12.30354 10.29252 13.13996  0.426 10.61492 ? 137 ILE A HG22 1 
ATOM   1799 H HG23 A ILE A 1 110 ? 11.88626 11.03138 14.46747  0.574 10.20721 ? 137 ILE A HG23 1 
ATOM   1800 H HG23 B ILE A 1 110 ? 11.90234 10.84663 14.57367  0.426 10.61492 ? 137 ILE A HG23 1 
ATOM   1801 H HD11 A ILE A 1 110 ? 11.22659 15.24979 14.45107  0.574 9.83482  ? 137 ILE A HD11 1 
ATOM   1802 H HD11 B ILE A 1 110 ? 12.14072 15.43401 14.43687  0.426 10.41046 ? 137 ILE A HD11 1 
ATOM   1803 H HD12 A ILE A 1 110 ? 11.75857 14.98256 12.97829  0.574 9.83482  ? 137 ILE A HD12 1 
ATOM   1804 H HD12 B ILE A 1 110 ? 13.55330 14.81630 14.05405  0.426 10.41046 ? 137 ILE A HD12 1 
ATOM   1805 H HD13 A ILE A 1 110 ? 10.57557 14.10124 13.56760  0.574 9.83482  ? 137 ILE A HD13 1 
ATOM   1806 H HD13 B ILE A 1 110 ? 12.41745 14.94507 12.95098  0.426 10.41046 ? 137 ILE A HD13 1 
ATOM   1807 N N    . ARG A 1 111 ? 14.89210 12.40552 15.80041  1.000 7.19519  ? 138 ARG A N    1 
ATOM   1808 C CA   . ARG A 1 111 ? 15.18056 11.93291 17.14139  1.000 8.32045  ? 138 ARG A CA   1 
ATOM   1809 C C    . ARG A 1 111 ? 13.92436 11.42077 17.81734  1.000 9.44527  ? 138 ARG A C    1 
ATOM   1810 O O    . ARG A 1 111 ? 12.86999 12.05613 17.75396  1.000 9.06807  ? 138 ARG A O    1 
ATOM   1811 C CB   . ARG A 1 111 ? 15.76057 13.02817 18.01157  1.000 10.73105 ? 138 ARG A CB   1 
ATOM   1812 C CG   . ARG A 1 111 ? 17.19621 13.37388 17.76138  1.000 19.39092 ? 138 ARG A CG   1 
ATOM   1813 C CD   . ARG A 1 111 ? 17.76868 14.30953 18.84497  1.000 16.66831 ? 138 ARG A CD   1 
ATOM   1814 N NE   . ARG A 1 111 ? 17.93116 13.65567 20.13489  1.000 21.11010 ? 138 ARG A NE   1 
ATOM   1815 C CZ   . ARG A 1 111 ? 19.00862 12.97249 20.48943  1.000 21.05911 ? 138 ARG A CZ   1 
ATOM   1816 N NH1  . ARG A 1 111 ? 20.03474 12.83224 19.66901  1.000 20.06441 ? 138 ARG A NH1  1 
ATOM   1817 N NH2  . ARG A 1 111 ? 19.05419 12.40931 21.69008  1.000 24.34535 ? 138 ARG A NH2  1 
ATOM   1818 H H    . ARG A 1 111 ? 14.99011 13.25218 15.68570  1.000 8.41845  ? 138 ARG A H    1 
ATOM   1819 H HA   . ARG A 1 111 ? 15.83121 11.21794 17.06158  1.000 9.76877  ? 138 ARG A HA   1 
ATOM   1820 H HB2  . ARG A 1 111 ? 15.24224 13.83548 17.86845  1.000 12.92042 ? 138 ARG A HB2  1 
ATOM   1821 H HB3  . ARG A 1 111 ? 15.69030 12.74863 18.93776  1.000 12.92042 ? 138 ARG A HB3  1 
ATOM   1822 H HG2  . ARG A 1 111 ? 17.72360 12.55980 17.75640  1.000 23.31226 ? 138 ARG A HG2  1 
ATOM   1823 H HG3  . ARG A 1 111 ? 17.27104 13.82291 16.90483  1.000 23.31226 ? 138 ARG A HG3  1 
ATOM   1824 H HD2  . ARG A 1 111 ? 18.63972 14.62669 18.55930  1.000 20.04513 ? 138 ARG A HD2  1 
ATOM   1825 H HD3  . ARG A 1 111 ? 17.16532 15.05958 18.96446  1.000 20.04513 ? 138 ARG A HD3  1 
ATOM   1826 H HE   . ARG A 1 111 ? 17.28755 13.71676 20.70202  1.000 25.37527 ? 138 ARG A HE   1 
ATOM   1827 H HH11 . ARG A 1 111 ? 20.01152 13.18842 18.88658  1.000 24.12045 ? 138 ARG A HH11 1 
ATOM   1828 H HH12 . ARG A 1 111 ? 20.72587 12.38476 19.91743  1.000 24.12045 ? 138 ARG A HH12 1 
ATOM   1829 H HH21 . ARG A 1 111 ? 18.38845 12.49010 22.22848  1.000 29.25758 ? 138 ARG A HH21 1 
ATOM   1830 H HH22 . ARG A 1 111 ? 19.74945 11.96352 21.92983  1.000 29.25758 ? 138 ARG A HH22 1 
ATOM   1831 N N    . ARG A 1 112 ? 14.05545 10.27961 18.49159  1.000 9.21985  ? 139 ARG A N    1 
ATOM   1832 C CA   . ARG A 1 112 ? 12.92324 9.70817  19.21610  1.000 9.72490  ? 139 ARG A CA   1 
ATOM   1833 C C    . ARG A 1 112 ? 12.44497 10.64646 20.31030  1.000 11.68987 ? 139 ARG A C    1 
ATOM   1834 O O    . ARG A 1 112 ? 11.24280 10.78907 20.52683  1.000 13.69599 ? 139 ARG A O    1 
ATOM   1835 C CB   . ARG A 1 112 ? 13.28653 8.36598  19.83560  1.000 11.57220 ? 139 ARG A CB   1 
ATOM   1836 C CG   . ARG A 1 112 ? 13.56935 7.26728  18.86015  1.000 14.34800 ? 139 ARG A CG   1 
ATOM   1837 C CD   . ARG A 1 112 ? 13.99089 5.97861  19.58843  1.000 20.74774 ? 139 ARG A CD   1 
ATOM   1838 N NE   . ARG A 1 112 ? 13.14652 5.63675  20.73378  1.000 28.53191 ? 139 ARG A NE   1 
ATOM   1839 C CZ   . ARG A 1 112 ? 11.87799 5.24112  20.66634  1.000 32.97138 ? 139 ARG A CZ   1 
ATOM   1840 N NH1  . ARG A 1 112 ? 11.25252 5.07940  19.50635  1.000 30.10489 ? 139 ARG A NH1  1 
ATOM   1841 N NH2  . ARG A 1 112 ? 11.22199 4.97901  21.79423  1.000 39.75899 ? 139 ARG A NH2  1 
ATOM   1842 H H    . ARG A 1 112 ? 14.78096 9.82098  18.54528  1.000 10.84804 ? 139 ARG A H    1 
ATOM   1843 H HA   . ARG A 1 112 ? 12.20848 9.56396  18.57639  1.000 11.45411 ? 139 ARG A HA   1 
ATOM   1844 H HB2  . ARG A 1 112 ? 14.08258 8.48452  20.37704  1.000 13.92980 ? 139 ARG A HB2  1 
ATOM   1845 H HB3  . ARG A 1 112 ? 12.54695 8.07583  20.39214  1.000 13.92980 ? 139 ARG A HB3  1 
ATOM   1846 H HG2  . ARG A 1 112 ? 12.77019 7.08036  18.34314  1.000 17.26075 ? 139 ARG A HG2  1 
ATOM   1847 H HG3  . ARG A 1 112 ? 14.29072 7.53652  18.27020  1.000 17.26075 ? 139 ARG A HG3  1 
ATOM   1848 H HD2  . ARG A 1 112 ? 13.94991 5.23936  18.96175  1.000 24.94045 ? 139 ARG A HD2  1 
ATOM   1849 H HD3  . ARG A 1 112 ? 14.89810 6.08766  19.91398  1.000 24.94045 ? 139 ARG A HD3  1 
ATOM   1850 H HE   . ARG A 1 112 ? 13.49971 5.69656  21.51562  1.000 34.28145 ? 139 ARG A HE   1 
ATOM   1851 H HH11 . ARG A 1 112 ? 11.66804 5.23147  18.76891  1.000 36.16902 ? 139 ARG A HH11 1 
ATOM   1852 H HH12 . ARG A 1 112 ? 10.43188 4.82258  19.49245  1.000 36.16902 ? 139 ARG A HH12 1 
ATOM   1853 H HH21 . ARG A 1 112 ? 11.61840 5.06617  22.55242  1.000 47.75394 ? 139 ARG A HH21 1 
ATOM   1854 H HH22 . ARG A 1 112 ? 10.40167 4.72246  21.76488  1.000 47.75394 ? 139 ARG A HH22 1 
ATOM   1855 N N    . ASP A 1 113 ? 13.35958 11.30471 21.01558  1.000 12.40212 ? 140 ASP A N    1 
ATOM   1856 C CA   . ASP A 1 113 ? 12.86708 12.15392 22.10334  1.000 12.32016 ? 140 ASP A CA   1 
ATOM   1857 C C    . ASP A 1 113 ? 12.13462 13.38058 21.58619  1.000 12.23623 ? 140 ASP A C    1 
ATOM   1858 O O    . ASP A 1 113 ? 11.28424 13.91546 22.30539  1.000 17.49056 ? 140 ASP A O    1 
ATOM   1859 C CB   . ASP A 1 113 ? 13.97647 12.53877 23.09064  1.000 13.95707 ? 140 ASP A CB   1 
ATOM   1860 C CG   . ASP A 1 113 ? 15.18668 13.20080 22.46720  1.000 21.90889 ? 140 ASP A CG   1 
ATOM   1861 O OD1  . ASP A 1 113 ? 15.12117 13.69469 21.34541  1.000 20.12429 ? 140 ASP A OD1  1 
ATOM   1862 O OD2  . ASP A 1 113 ? 16.25103 13.22361 23.16232  1.000 22.47394 ? 140 ASP A OD2  1 
ATOM   1863 H H    . ASP A 1 113 ? 14.21087 11.28078 20.89587  1.000 14.92570 ? 140 ASP A H    1 
ATOM   1864 H HA   . ASP A 1 113 ? 12.23689 11.63165 22.62391  1.000 14.56842 ? 140 ASP A HA   1 
ATOM   1865 H HB2  . ASP A 1 113 ? 13.60874 13.15858 23.73988  1.000 16.64269 ? 140 ASP A HB2  1 
ATOM   1866 H HB3  . ASP A 1 113 ? 14.28345 11.73414 23.53699  1.000 16.64269 ? 140 ASP A HB3  1 
ATOM   1867 N N    . PHE A 1 114 ? 12.38709 13.80711 20.35331  1.000 10.12047 ? 141 PHE A N    1 
ATOM   1868 C CA   . PHE A 1 114 ? 11.59423 14.87529 19.73847  1.000 9.34449  ? 141 PHE A CA   1 
ATOM   1869 C C    . PHE A 1 114 ? 10.23880 14.33531 19.30116  1.000 10.17478 ? 141 PHE A C    1 
ATOM   1870 O O    . PHE A 1 114 ? 9.18709  14.92797 19.57241  1.000 10.66791 ? 141 PHE A O    1 
ATOM   1871 C CB   . PHE A 1 114 ? 12.38132 15.42896 18.55274  1.000 9.14997  ? 141 PHE A CB   1 
ATOM   1872 C CG   . PHE A 1 114 ? 11.80037 16.66002 17.94281  1.000 9.88110  ? 141 PHE A CG   1 
ATOM   1873 C CD1  . PHE A 1 114 ? 10.84326 16.57721 16.97244  1.000 8.22756  ? 141 PHE A CD1  1 
ATOM   1874 C CD2  . PHE A 1 114 ? 12.26582 17.91353 18.32812  1.000 11.76804 ? 141 PHE A CD2  1 
ATOM   1875 C CE1  . PHE A 1 114 ? 10.31616 17.73143 16.42172  1.000 11.57153 ? 141 PHE A CE1  1 
ATOM   1876 C CE2  . PHE A 1 114 ? 11.76188 19.04288 17.78593  1.000 10.38318 ? 141 PHE A CE2  1 
ATOM   1877 C CZ   . PHE A 1 114 ? 10.80153 18.96097 16.83517  1.000 10.55815 ? 141 PHE A CZ   1 
ATOM   1878 H H    . PHE A 1 114 ? 13.01062 13.49750 19.84839  1.000 11.92879 ? 141 PHE A H    1 
ATOM   1879 H HA   . PHE A 1 114 ? 11.43523 15.59855 20.36498  1.000 10.99762 ? 141 PHE A HA   1 
ATOM   1880 H HB2  . PHE A 1 114 ? 13.27818 15.64594 18.85184  1.000 11.02312 ? 141 PHE A HB2  1 
ATOM   1881 H HB3  . PHE A 1 114 ? 12.41741 14.74918 17.86173  1.000 11.02312 ? 141 PHE A HB3  1 
ATOM   1882 H HD1  . PHE A 1 114 ? 10.54595 15.74526 16.68198  1.000 9.91622  ? 141 PHE A HD1  1 
ATOM   1883 H HD2  . PHE A 1 114 ? 12.93571 17.97454 18.97031  1.000 14.16481 ? 141 PHE A HD2  1 
ATOM   1884 H HE1  . PHE A 1 114 ? 9.64364  17.68242 15.78124  1.000 13.92899 ? 141 PHE A HE1  1 
ATOM   1885 H HE2  . PHE A 1 114 ? 12.07328 19.87373 18.06453  1.000 12.50298 ? 141 PHE A HE2  1 
ATOM   1886 H HZ   . PHE A 1 114 ? 10.46370 19.73965 16.45512  1.000 12.71294 ? 141 PHE A HZ   1 
ATOM   1887 N N    . LEU A 1 115 ? 10.26251 13.18023 18.65851  1.000 10.83084 ? 142 LEU A N    1 
ATOM   1888 C CA   . LEU A 1 115 ? 9.03352  12.55065 18.20437  1.000 9.61468  ? 142 LEU A CA   1 
ATOM   1889 C C    . LEU A 1 115 ? 8.07764  12.29646 19.36167  1.000 11.49442 ? 142 LEU A C    1 
ATOM   1890 O O    . LEU A 1 115 ? 6.86422  12.49172 19.22726  1.000 15.00297 ? 142 LEU A O    1 
ATOM   1891 C CB   . LEU A 1 115 ? 9.41354  11.26608 17.47453  1.000 11.83031 ? 142 LEU A CB   1 
ATOM   1892 C CG   . LEU A 1 115 ? 8.30741  10.61575 16.67677  1.000 15.01180 ? 142 LEU A CG   1 
ATOM   1893 C CD1  . LEU A 1 115 ? 7.92188  11.48014 15.51121  1.000 18.33436 ? 142 LEU A CD1  1 
ATOM   1894 C CD2  . LEU A 1 115 ? 8.80244  9.27065  16.21644  1.000 16.98200 ? 142 LEU A CD2  1 
ATOM   1895 H H    . LEU A 1 115 ? 10.97615 12.73824 18.47152  1.000 13.04016 ? 142 LEU A H    1 
ATOM   1896 H HA   . LEU A 1 115 ? 8.55645  13.12766 17.58763  1.000 11.58077 ? 142 LEU A HA   1 
ATOM   1897 H HB2  . LEU A 1 115 ? 10.13380 11.46902 16.85732  1.000 14.23953 ? 142 LEU A HB2  1 
ATOM   1898 H HB3  . LEU A 1 115 ? 9.71306  10.61980 18.13295  1.000 14.23953 ? 142 LEU A HB3  1 
ATOM   1899 H HG   . LEU A 1 115 ? 7.50949  10.50073 17.21620  1.000 18.05732 ? 142 LEU A HG   1 
ATOM   1900 H HD11 . LEU A 1 115 ? 7.30845  10.98867 14.94283  1.000 22.04439 ? 142 LEU A HD11 1 
ATOM   1901 H HD12 . LEU A 1 115 ? 7.49317  12.28460 15.84280  1.000 22.04439 ? 142 LEU A HD12 1 
ATOM   1902 H HD13 . LEU A 1 115 ? 8.72076  11.71258 15.01254  1.000 22.04439 ? 142 LEU A HD13 1 
ATOM   1903 H HD21 . LEU A 1 115 ? 8.10906  8.84193  15.69077  1.000 20.42156 ? 142 LEU A HD21 1 
ATOM   1904 H HD22 . LEU A 1 115 ? 9.59814  9.39506  15.67581  1.000 20.42156 ? 142 LEU A HD22 1 
ATOM   1905 H HD23 . LEU A 1 115 ? 9.01165  8.72843  16.99306  1.000 20.42156 ? 142 LEU A HD23 1 
ATOM   1906 N N    . LEU A 1 116 ? 8.59745  11.89017 20.51993  1.000 10.72389 ? 143 LEU A N    1 
ATOM   1907 C CA   . LEU A 1 116 ? 7.74443  11.52828 21.63977  1.000 14.43919 ? 143 LEU A CA   1 
ATOM   1908 C C    . LEU A 1 116 ? 7.35485  12.70288 22.52155  1.000 17.52734 ? 143 LEU A C    1 
ATOM   1909 O O    . LEU A 1 116 ? 6.58348  12.52185 23.46524  1.000 24.72543 ? 143 LEU A O    1 
ATOM   1910 C CB   . LEU A 1 116 ? 8.44612  10.47334 22.50053  1.000 15.49711 ? 143 LEU A CB   1 
ATOM   1911 C CG   . LEU A 1 116 ? 8.68216  9.14716  21.79453  1.000 20.62982 ? 143 LEU A CG   1 
ATOM   1912 C CD1  . LEU A 1 116 ? 9.62584  8.24148  22.61971  1.000 30.03479 ? 143 LEU A CD1  1 
ATOM   1913 C CD2  . LEU A 1 116 ? 7.37731  8.41227  21.51620  1.000 22.43834 ? 143 LEU A CD2  1 
ATOM   1914 H H    . LEU A 1 116 ? 9.43986  11.81747 20.67698  1.000 12.91182 ? 143 LEU A H    1 
ATOM   1915 H HA   . LEU A 1 116 ? 6.92452  11.14967 21.28579  1.000 17.37018 ? 143 LEU A HA   1 
ATOM   1916 H HB2  . LEU A 1 116 ? 9.31022  10.82057 22.77193  1.000 18.63968 ? 143 LEU A HB2  1 
ATOM   1917 H HB3  . LEU A 1 116 ? 7.89880  10.29787 23.28191  1.000 18.63968 ? 143 LEU A HB3  1 
ATOM   1918 H HG   . LEU A 1 116 ? 9.10158  9.34186  20.94184  1.000 24.79894 ? 143 LEU A HG   1 
ATOM   1919 H HD11 . LEU A 1 116 ? 9.75846  7.40675  22.14375  1.000 36.08490 ? 143 LEU A HD11 1 
ATOM   1920 H HD12 . LEU A 1 116 ? 10.47570 8.69423  22.73659  1.000 36.08490 ? 143 LEU A HD12 1 
ATOM   1921 H HD13 . LEU A 1 116 ? 9.22148  8.06863  23.48430  1.000 36.08490 ? 143 LEU A HD13 1 
ATOM   1922 H HD21 . LEU A 1 116 ? 7.57916  7.54505  21.13138  1.000 26.96917 ? 143 LEU A HD21 1 
ATOM   1923 H HD22 . LEU A 1 116 ? 6.89413  8.29991  22.34975  1.000 26.96917 ? 143 LEU A HD22 1 
ATOM   1924 H HD23 . LEU A 1 116 ? 6.84704  8.93477  20.89434  1.000 26.96917 ? 143 LEU A HD23 1 
ATOM   1925 N N    . ASP A 1 117 ? 7.88960  13.89103 22.27150  1.000 16.52083 ? 144 ASP A N    1 
ATOM   1926 C CA   . ASP A 1 117 ? 7.52773  15.08128 23.03105  1.000 14.25581 ? 144 ASP A CA   1 
ATOM   1927 C C    . ASP A 1 117 ? 6.21142  15.60017 22.46601  1.000 14.76075 ? 144 ASP A C    1 
ATOM   1928 O O    . ASP A 1 117 ? 6.15223  16.03907 21.31559  1.000 12.33365 ? 144 ASP A O    1 
ATOM   1929 C CB   . ASP A 1 117 ? 8.65220  16.10647 22.93809  1.000 16.08838 ? 144 ASP A CB   1 
ATOM   1930 C CG   . ASP A 1 117 ? 8.38521  17.36646 23.72550  1.000 25.70974 ? 144 ASP A CG   1 
ATOM   1931 O OD1  . ASP A 1 117 ? 7.25017  17.54321 24.22885  1.000 27.52466 ? 144 ASP A OD1  1 
ATOM   1932 O OD2  . ASP A 1 117 ? 9.33573  18.19724 23.82204  1.000 25.93181 ? 144 ASP A OD2  1 
ATOM   1933 H H    . ASP A 1 117 ? 8.47371  14.03684 21.65737  1.000 19.86816 ? 144 ASP A H    1 
ATOM   1934 H HA   . ASP A 1 117 ? 7.39614  14.87914 23.97058  1.000 17.15013 ? 144 ASP A HA   1 
ATOM   1935 H HB2  . ASP A 1 117 ? 9.46757  15.70900 23.28176  1.000 19.34921 ? 144 ASP A HB2  1 
ATOM   1936 H HB3  . ASP A 1 117 ? 8.77145  16.35709 22.00865  1.000 19.34921 ? 144 ASP A HB3  1 
ATOM   1937 N N    . GLU A 1 118 ? 5.14328  15.52596 23.26336  1.000 15.00010 ? 145 GLU A N    1 
ATOM   1938 C CA   . GLU A 1 118 ? 3.84920  15.93970 22.74415  1.000 18.03645 ? 145 GLU A CA   1 
ATOM   1939 C C    . GLU A 1 118 ? 3.84026  17.39103 22.28333  1.000 14.73988 ? 145 GLU A C    1 
ATOM   1940 O O    . GLU A 1 118 ? 3.00811  17.74822 21.44868  1.000 16.52406 ? 145 GLU A O    1 
ATOM   1941 C CB   . GLU A 1 118 ? 2.74906  15.72760 23.78289  1.000 18.14904 ? 145 GLU A CB   1 
ATOM   1942 H H    . GLU A 1 118 ? 5.14561  15.24940 24.07767  1.000 18.04328 ? 145 GLU A H    1 
ATOM   1943 H HA   . GLU A 1 118 ? 3.64683  15.37744 21.98008  1.000 21.68690 ? 145 GLU A HA   1 
ATOM   1944 N N    . ALA A 1 119 ? 4.73839  18.24621 22.78972  1.000 13.37871 ? 146 ALA A N    1 
ATOM   1945 C CA   . ALA A 1 119 ? 4.74782  19.63551 22.33037  1.000 13.77971 ? 146 ALA A CA   1 
ATOM   1946 C C    . ALA A 1 119 ? 4.97565  19.74792 20.83094  1.000 13.79795 ? 146 ALA A C    1 
ATOM   1947 O O    . ALA A 1 119 ? 4.52162  20.71775 20.20080  1.000 12.12394 ? 146 ALA A O    1 
ATOM   1948 C CB   . ALA A 1 119 ? 5.81114  20.44357 23.07462  1.000 19.93226 ? 146 ALA A CB   1 
ATOM   1949 H H    . ALA A 1 119 ? 5.33236  18.05175 23.38047  1.000 16.09760 ? 146 ALA A H    1 
ATOM   1950 H HA   . ALA A 1 119 ? 3.87881  20.01608 22.53259  1.000 16.57881 ? 146 ALA A HA   1 
ATOM   1951 H HB1  . ALA A 1 119 ? 5.79736  21.35772 22.75052  1.000 23.96187 ? 146 ALA A HB1  1 
ATOM   1952 H HB2  . ALA A 1 119 ? 5.61377  20.42624 24.02416  1.000 23.96187 ? 146 ALA A HB2  1 
ATOM   1953 H HB3  . ALA A 1 119 ? 6.68121  20.04746 22.91034  1.000 23.96187 ? 146 ALA A HB3  1 
ATOM   1954 N N    . ASN A 1 120 ? 5.62576  18.75588 20.21659  1.000 11.07143 ? 147 ASN A N    1 
ATOM   1955 C CA   . ASN A 1 120 ? 5.87177  18.83731 18.79034  1.000 11.71995 ? 147 ASN A CA   1 
ATOM   1956 C C    . ASN A 1 120 ? 4.72384  18.31106 17.94606  1.000 11.12519 ? 147 ASN A C    1 
ATOM   1957 O O    . ASN A 1 120 ? 4.74654  18.51682 16.73287  1.000 11.97081 ? 147 ASN A O    1 
ATOM   1958 C CB   . ASN A 1 120 ? 7.18050  18.10430 18.47134  1.000 8.43421  ? 147 ASN A CB   1 
ATOM   1959 C CG   . ASN A 1 120 ? 8.34872  18.72380 19.20937  1.000 13.02279 ? 147 ASN A CG   1 
ATOM   1960 O OD1  . ASN A 1 120 ? 8.48257  19.96122 19.22741  1.000 14.37135 ? 147 ASN A OD1  1 
ATOM   1961 N ND2  . ASN A 1 120 ? 9.16039  17.90368 19.84513  1.000 12.80618 ? 147 ASN A ND2  1 
ATOM   1962 H H    . ASN A 1 120 ? 5.92350  18.04668 20.60129  1.000 13.32887 ? 147 ASN A H    1 
ATOM   1963 H HA   . ASN A 1 120 ? 5.98405  19.76425 18.52751  1.000 14.10710 ? 147 ASN A HA   1 
ATOM   1964 H HB2  . ASN A 1 120 ? 7.10412  17.17608 18.74238  1.000 9.90528  ? 147 ASN A HB2  1 
ATOM   1965 H HB3  . ASN A 1 120 ? 7.35611  18.15844 17.51891  1.000 9.90528  ? 147 ASN A HB3  1 
ATOM   1966 H HD21 . ASN A 1 120 ? 9.83585  18.21573 20.27638  1.000 15.41057 ? 147 ASN A HD21 1 
ATOM   1967 H HD22 . ASN A 1 120 ? 9.01479  17.05625 19.82889  1.000 15.41057 ? 147 ASN A HD22 1 
ATOM   1968 N N    . GLY A 1 121 ? 3.73340  17.65314 18.54458  1.000 10.36292 ? 148 GLY A N    1 
ATOM   1969 C CA   . GLY A 1 121 ? 2.55363  17.19669 17.82700  1.000 14.37682 ? 148 GLY A CA   1 
ATOM   1970 C C    . GLY A 1 121 ? 2.79494  16.20279 16.70993  1.000 13.82388 ? 148 GLY A C    1 
ATOM   1971 O O    . GLY A 1 121 ? 2.04937  16.21160 15.72584  1.000 10.58107 ? 148 GLY A O    1 
ATOM   1972 H H    . GLY A 1 121 ? 3.72227  17.45582 19.38156  1.000 12.47866 ? 148 GLY A H    1 
ATOM   1973 H HA2  . GLY A 1 121 ? 1.95206  16.77817 18.46249  1.000 17.29534 ? 148 GLY A HA2  1 
ATOM   1974 H HA3  . GLY A 1 121 ? 2.11445  17.96912 17.43793  1.000 17.29534 ? 148 GLY A HA3  1 
ATOM   1975 N N    . LEU A 1 122 ? 3.78876  15.32484 16.83196  1.000 7.96753  ? 149 LEU A N    1 
ATOM   1976 C CA   . LEU A 1 122 ? 4.10502  14.44859 15.70449  1.000 6.83068  ? 149 LEU A CA   1 
ATOM   1977 C C    . LEU A 1 122 ? 3.49393  13.06126 15.82820  1.000 11.16083 ? 149 LEU A C    1 
ATOM   1978 O O    . LEU A 1 122 ? 3.65764  12.25369 14.91347  1.000 9.22154  ? 149 LEU A O    1 
ATOM   1979 C CB   . LEU A 1 122 ? 5.62462  14.30114 15.51854  1.000 8.70007  ? 149 LEU A CB   1 
ATOM   1980 C CG   . LEU A 1 122 ? 6.41152  15.58831 15.25858  1.000 10.76312 ? 149 LEU A CG   1 
ATOM   1981 C CD1  . LEU A 1 122 ? 7.87272  15.31180 15.00749  1.000 15.32036 ? 149 LEU A CD1  1 
ATOM   1982 C CD2  . LEU A 1 122 ? 5.77138  16.35892 14.08807  1.000 14.42721 ? 149 LEU A CD2  1 
ATOM   1983 H H    . LEU A 1 122 ? 4.27684  15.22147 17.53246  1.000 9.60420  ? 149 LEU A H    1 
ATOM   1984 H HA   . LEU A 1 122 ? 3.74811  14.87231 14.90827  1.000 8.23998  ? 149 LEU A HA   1 
ATOM   1985 H HB2  . LEU A 1 122 ? 5.98834  13.90316 16.32490  1.000 10.48324 ? 149 LEU A HB2  1 
ATOM   1986 H HB3  . LEU A 1 122 ? 5.77873  13.71542 14.76086  1.000 10.48324 ? 149 LEU A HB3  1 
ATOM   1987 H HG   . LEU A 1 122 ? 6.37573  16.14718 16.05059  1.000 12.95890 ? 149 LEU A HG   1 
ATOM   1988 H HD11 . LEU A 1 122 ? 8.32498  16.14924 14.82029  1.000 18.42759 ? 149 LEU A HD11 1 
ATOM   1989 H HD12 . LEU A 1 122 ? 8.25600  14.89809 15.79669  1.000 18.42759 ? 149 LEU A HD12 1 
ATOM   1990 H HD13 . LEU A 1 122 ? 7.95507  14.71436 14.24776  1.000 18.42759 ? 149 LEU A HD13 1 
ATOM   1991 H HD21 . LEU A 1 122 ? 6.36725  17.07510 13.81803  1.000 17.35581 ? 149 LEU A HD21 1 
ATOM   1992 H HD22 . LEU A 1 122 ? 5.63086  15.74854 13.34740  1.000 17.35581 ? 149 LEU A HD22 1 
ATOM   1993 H HD23 . LEU A 1 122 ? 4.92240  16.72698 14.37902  1.000 17.35581 ? 149 LEU A HD23 1 
ATOM   1994 N N    . LEU A 1 123 ? 2.82051  12.75884 16.93894  1.000 10.17649 ? 150 LEU A N    1 
ATOM   1995 C CA   . LEU A 1 123 ? 2.13771  11.48808 17.14958  1.000 7.73404  ? 150 LEU A CA   1 
ATOM   1996 C C    . LEU A 1 123 ? 0.71909  11.76339 17.62380  1.000 11.30710 ? 150 LEU A C    1 
ATOM   1997 O O    . LEU A 1 123 ? 0.29394  11.29082 18.68713  1.000 17.27307 ? 150 LEU A O    1 
ATOM   1998 C CB   . LEU A 1 123 ? 2.88668  10.62103 18.14874  1.000 10.18640 ? 150 LEU A CB   1 
ATOM   1999 C CG   . LEU A 1 123 ? 4.30578  10.19695 17.76957  1.000 8.52937  ? 150 LEU A CG   1 
ATOM   2000 C CD1  . LEU A 1 123 ? 4.97413  9.48728  18.92098  1.000 14.23956 ? 150 LEU A CD1  1 
ATOM   2001 C CD2  . LEU A 1 123 ? 4.28721  9.32582  16.54689  1.000 12.67655 ? 150 LEU A CD2  1 
ATOM   2002 H H    . LEU A 1 123 ? 2.74400  13.29505 17.60694  1.000 12.25495 ? 150 LEU A H    1 
ATOM   2003 H HA   . LEU A 1 123 ? 2.10084  11.00313 16.31032  1.000 9.32401  ? 150 LEU A HA   1 
ATOM   2004 H HB2  . LEU A 1 123 ? 2.95122  11.11319 18.98211  1.000 12.26684 ? 150 LEU A HB2  1 
ATOM   2005 H HB3  . LEU A 1 123 ? 2.37427  9.80831  18.28223  1.000 12.26684 ? 150 LEU A HB3  1 
ATOM   2006 H HG   . LEU A 1 123 ? 4.82699  10.98893 17.56462  1.000 10.27839 ? 150 LEU A HG   1 
ATOM   2007 H HD11 . LEU A 1 123 ? 5.86455  9.21438  18.64971  1.000 17.13063 ? 150 LEU A HD11 1 
ATOM   2008 H HD12 . LEU A 1 123 ? 5.02966  10.09350 19.67618  1.000 17.13063 ? 150 LEU A HD12 1 
ATOM   2009 H HD13 . LEU A 1 123 ? 4.44790  8.70831  19.16012  1.000 17.13063 ? 150 LEU A HD13 1 
ATOM   2010 H HD21 . LEU A 1 123 ? 5.18269  8.99008  16.38472  1.000 15.25501 ? 150 LEU A HD21 1 
ATOM   2011 H HD22 . LEU A 1 123 ? 3.67832  8.58556  16.69577  1.000 15.25501 ? 150 LEU A HD22 1 
ATOM   2012 H HD23 . LEU A 1 123 ? 3.98891  9.85213  15.78866  1.000 15.25501 ? 150 LEU A HD23 1 
ATOM   2013 N N    . PRO A 1 124 ? -0.06274 12.49587 16.83401  1.000 11.21035 ? 151 PRO A N    1 
ATOM   2014 C CA   . PRO A 1 124 ? -1.46642 12.71616 17.19899  1.000 13.12857 ? 151 PRO A CA   1 
ATOM   2015 C C    . PRO A 1 124 ? -2.23004 11.40345 17.27367  1.000 18.67705 ? 151 PRO A C    1 
ATOM   2016 O O    . PRO A 1 124 ? -2.15261 10.56077 16.37251  1.000 12.82783 ? 151 PRO A O    1 
ATOM   2017 C CB   . PRO A 1 124 ? -1.99160 13.62138 16.08007  1.000 16.56554 ? 151 PRO A CB   1 
ATOM   2018 C CG   . PRO A 1 124 ? -1.10414 13.44438 14.94522  1.000 17.04078 ? 151 PRO A CG   1 
ATOM   2019 C CD   . PRO A 1 124 ? 0.25206  12.99523 15.48112  1.000 15.48872 ? 151 PRO A CD   1 
ATOM   2020 H HA   . PRO A 1 124 ? -1.53059 13.17969 18.04865  1.000 15.79744 ? 151 PRO A HA   1 
ATOM   2021 H HB2  . PRO A 1 124 ? -2.89608 13.35759 15.84936  1.000 19.92180 ? 151 PRO A HB2  1 
ATOM   2022 H HB3  . PRO A 1 124 ? -1.98129 14.54388 16.37972  1.000 19.92180 ? 151 PRO A HB3  1 
ATOM   2023 H HG2  . PRO A 1 124 ? -1.47260 12.76955 14.35383  1.000 20.49209 ? 151 PRO A HG2  1 
ATOM   2024 H HG3  . PRO A 1 124 ? -1.01714 14.28735 14.47328  1.000 20.49209 ? 151 PRO A HG3  1 
ATOM   2025 H HD2  . PRO A 1 124 ? 0.62346  12.28833 14.93044  1.000 18.62962 ? 151 PRO A HD2  1 
ATOM   2026 H HD3  . PRO A 1 124 ? 0.87012  13.74159 15.52424  1.000 18.62962 ? 151 PRO A HD3  1 
ATOM   2027 N N    . ASP A 1 125 ? -2.96828 11.23212 18.37021  1.000 16.25277 ? 152 ASP A N    1 
ATOM   2028 C CA   . ASP A 1 125 ? -3.68687 9.98877  18.65040  1.000 15.50381 ? 152 ASP A CA   1 
ATOM   2029 C C    . ASP A 1 125 ? -2.74328 8.79091  18.63369  1.000 14.14189 ? 152 ASP A C    1 
ATOM   2030 O O    . ASP A 1 125 ? -3.14112 7.67444  18.30071  1.000 14.69102 ? 152 ASP A O    1 
ATOM   2031 C CB   . ASP A 1 125 ? -4.83040 9.76805  17.65488  1.000 26.18123 ? 152 ASP A CB   1 
ATOM   2032 C CG   . ASP A 1 125 ? -5.94296 10.80258 17.78741  1.000 44.57701 ? 152 ASP A CG   1 
ATOM   2033 O OD1  . ASP A 1 125 ? -6.35146 11.37350 16.74940  1.000 46.91213 ? 152 ASP A OD1  1 
ATOM   2034 O OD2  . ASP A 1 125 ? -6.41906 11.02593 18.92029  1.000 49.07265 ? 152 ASP A OD2  1 
ATOM   2035 H H    . ASP A 1 125 ? -3.07038 11.83207 18.97785  1.000 19.54648 ? 152 ASP A H    1 
ATOM   2036 H HA   . ASP A 1 125 ? -4.07250 10.05541 19.53795  1.000 18.64773 ? 152 ASP A HA   1 
ATOM   2037 H HB2  . ASP A 1 125 ? -4.47788 9.82195  16.75281  1.000 31.46063 ? 152 ASP A HB2  1 
ATOM   2038 H HB3  . ASP A 1 125 ? -5.21710 8.89177  17.80815  1.000 31.46063 ? 152 ASP A HB3  1 
ATOM   2039 N N    . ASP A 1 126 ? -1.47625 9.03230  18.97358  1.000 13.26849 ? 153 ASP A N    1 
ATOM   2040 C CA   . ASP A 1 126 ? -0.43560 8.01066  19.01189  1.000 11.72123 ? 153 ASP A CA   1 
ATOM   2041 C C    . ASP A 1 126 ? -0.19159 7.35307  17.66351  1.000 12.48833 ? 153 ASP A C    1 
ATOM   2042 O O    . ASP A 1 126 ? 0.29159  6.22860  17.59485  1.000 12.96367 ? 153 ASP A O    1 
ATOM   2043 C CB   . ASP A 1 126 ? -0.72343 6.93427  20.05463  1.000 21.17984 ? 153 ASP A CB   1 
ATOM   2044 C CG   . ASP A 1 126 ? 0.53990  6.23546  20.48543  1.000 36.24864 ? 153 ASP A CG   1 
ATOM   2045 O OD1  . ASP A 1 126 ? 1.63425  6.78613  20.17244  1.000 26.17972 ? 153 ASP A OD1  1 
ATOM   2046 O OD2  . ASP A 1 126 ? 0.45588  5.15356  21.10281  1.000 33.66100 ? 153 ASP A OD2  1 
ATOM   2047 H H    . ASP A 1 126 ? -1.18589 9.81112  19.19432  1.000 15.96535 ? 153 ASP A H    1 
ATOM   2048 H HA   . ASP A 1 126 ? 0.38110  8.47097  19.26090  1.000 13.96773 ? 153 ASP A HA   1 
ATOM   2049 H HB2  . ASP A 1 126 ? -1.12815 7.34330  20.83553  1.000 25.45897 ? 153 ASP A HB2  1 
ATOM   2050 H HB3  . ASP A 1 126 ? -1.32482 6.27352  19.67695  1.000 25.45897 ? 153 ASP A HB3  1 
ATOM   2051 N N    . LYS A 1 127 ? -0.47972 8.05501  16.58323  1.000 10.42351 ? 154 LYS A N    1 
ATOM   2052 C CA   . LYS A 1 127 ? -0.20155 7.54114  15.25056  1.000 10.54136 ? 154 LYS A CA   1 
ATOM   2053 C C    . LYS A 1 127 ? 0.92994  8.32999  14.63209  1.000 8.70693  ? 154 LYS A C    1 
ATOM   2054 O O    . LYS A 1 127 ? 0.97740  9.55241  14.76515  1.000 10.23684 ? 154 LYS A O    1 
ATOM   2055 C CB   . LYS A 1 127 ? -1.43674 7.64677  14.36544  1.000 10.88243 ? 154 LYS A CB   1 
ATOM   2056 C CG   . LYS A 1 127 ? -2.64309 6.92050  14.93306  1.000 13.95991 ? 154 LYS A CG   1 
ATOM   2057 C CD   . LYS A 1 127 ? -3.78061 6.90693  13.92345  1.000 23.68261 ? 154 LYS A CD   1 
ATOM   2058 C CE   . LYS A 1 127 ? -5.07933 6.34289  14.50140  1.000 22.36869 ? 154 LYS A CE   1 
ATOM   2059 N NZ   . LYS A 1 127 ? -4.91424 5.02021  15.17101  1.000 22.14087 ? 154 LYS A NZ   1 
ATOM   2060 H H    . LYS A 1 127 ? -0.83886 8.83635  16.59419  1.000 12.29244 ? 154 LYS A H    1 
ATOM   2061 H HA   . LYS A 1 127 ? 0.06206  6.60927  15.30565  1.000 12.69278 ? 154 LYS A HA   1 
ATOM   2062 H HB2  . LYS A 1 127 ? -1.67175 8.58247  14.26476  1.000 13.02543 ? 154 LYS A HB2  1 
ATOM   2063 H HB3  . LYS A 1 127 ? -1.23598 7.26002  13.49882  1.000 13.02543 ? 154 LYS A HB3  1 
ATOM   2064 H HG2  . LYS A 1 127 ? -2.40285 6.00384  15.14024  1.000 16.79505 ? 154 LYS A HG2  1 
ATOM   2065 H HG3  . LYS A 1 127 ? -2.94727 7.37315  15.73523  1.000 16.79505 ? 154 LYS A HG3  1 
ATOM   2066 H HD2  . LYS A 1 127 ? -3.95337 7.81498  13.62934  1.000 28.46228 ? 154 LYS A HD2  1 
ATOM   2067 H HD3  . LYS A 1 127 ? -3.52554 6.35603  13.16691  1.000 28.46228 ? 154 LYS A HD3  1 
ATOM   2068 H HE2  . LYS A 1 127 ? -5.42517 6.96609  15.15937  1.000 26.88558 ? 154 LYS A HE2  1 
ATOM   2069 H HE3  . LYS A 1 127 ? -5.71951 6.23164  13.78119  1.000 26.88558 ? 154 LYS A HE3  1 
ATOM   2070 H HZ1  . LYS A 1 127 ? -4.61548 4.41862  14.58713  1.000 26.61220 ? 154 LYS A HZ1  1 
ATOM   2071 H HZ2  . LYS A 1 127 ? -4.33085 5.08825  15.83968  1.000 26.61220 ? 154 LYS A HZ2  1 
ATOM   2072 H HZ3  . LYS A 1 127 ? -5.69534 4.74404  15.49615  1.000 26.61220 ? 154 LYS A HZ3  1 
ATOM   2073 N N    . LEU A 1 128 ? 1.80616  7.63306  13.93324  1.000 7.99301  ? 155 LEU A N    1 
ATOM   2074 C CA   . LEU A 1 128 ? 2.87772  8.26674  13.16778  1.000 6.76346  ? 155 LEU A CA   1 
ATOM   2075 C C    . LEU A 1 128 ? 2.47962  8.19442  11.70748  1.000 7.71453  ? 155 LEU A C    1 
ATOM   2076 O O    . LEU A 1 128 ? 2.27074  7.10557  11.18290  1.000 8.21987  ? 155 LEU A O    1 
ATOM   2077 C CB   . LEU A 1 128 ? 4.20399  7.56824  13.38641  1.000 6.92730  ? 155 LEU A CB   1 
ATOM   2078 C CG   . LEU A 1 128 ? 5.32482  8.10107  12.51094  1.000 10.21570 ? 155 LEU A CG   1 
ATOM   2079 C CD1  . LEU A 1 128 ? 5.60170  9.54225  12.85865  1.000 10.03674 ? 155 LEU A CD1  1 
ATOM   2080 C CD2  . LEU A 1 128 ? 6.58323  7.29378  12.71488  1.000 11.46563 ? 155 LEU A CD2  1 
ATOM   2081 H H    . LEU A 1 128 ? 1.80560  6.77458  13.88213  1.000 9.37584  ? 155 LEU A H    1 
ATOM   2082 H HA   . LEU A 1 128 ? 2.98684  9.19073  13.44206  1.000 7.98727  ? 155 LEU A HA   1 
ATOM   2083 H HB2  . LEU A 1 128 ? 4.46880  7.68513  14.31222  1.000 8.09699  ? 155 LEU A HB2  1 
ATOM   2084 H HB3  . LEU A 1 128 ? 4.09551  6.62477  13.18896  1.000 8.09699  ? 155 LEU A HB3  1 
ATOM   2085 H HG   . LEU A 1 128 ? 5.05786  8.03613  11.58066  1.000 12.30200 ? 155 LEU A HG   1 
ATOM   2086 H HD11 . LEU A 1 128 ? 6.43571  9.81262  12.44365  1.000 12.08724 ? 155 LEU A HD11 1 
ATOM   2087 H HD12 . LEU A 1 128 ? 4.87424  10.09223 12.52815  1.000 12.08724 ? 155 LEU A HD12 1 
ATOM   2088 H HD13 . LEU A 1 128 ? 5.66908  9.62722  13.82256  1.000 12.08724 ? 155 LEU A HD13 1 
ATOM   2089 H HD21 . LEU A 1 128 ? 7.27365  7.63004  12.12231  1.000 13.80192 ? 155 LEU A HD21 1 
ATOM   2090 H HD22 . LEU A 1 128 ? 6.86827  7.38101  13.63795  1.000 13.80192 ? 155 LEU A HD22 1 
ATOM   2091 H HD23 . LEU A 1 128 ? 6.39787  6.36342  12.51244  1.000 13.80192 ? 155 LEU A HD23 1 
ATOM   2092 N N    . THR A 1 129 ? 2.32161  9.34402  11.07113  1.000 8.34024  ? 156 THR A N    1 
ATOM   2093 C CA   . THR A 1 129 ? 1.98614  9.38331  9.66646   1.000 6.20008  ? 156 THR A CA   1 
ATOM   2094 C C    . THR A 1 129 ? 3.16290  9.94187  8.89176   1.000 5.19326  ? 156 THR A C    1 
ATOM   2095 O O    . THR A 1 129 ? 3.58806  11.07945 9.09645   1.000 6.99429  ? 156 THR A O    1 
ATOM   2096 C CB   . THR A 1 129 ? 0.70873  10.17542 9.40770   1.000 8.53175  ? 156 THR A CB   1 
ATOM   2097 O OG1  . THR A 1 129 ? -0.38344 9.48423  10.02835  1.000 10.15185 ? 156 THR A OG1  1 
ATOM   2098 C CG2  . THR A 1 129 ? 0.44472  10.25273 7.92334   1.000 9.25605  ? 156 THR A CG2  1 
ATOM   2099 H H    . THR A 1 129 ? 2.40513  10.11719 11.43832  1.000 10.05144 ? 156 THR A H    1 
ATOM   2100 H HA   . THR A 1 129 ? 1.82687  8.47955  9.35221   1.000 7.48326  ? 156 THR A HA   1 
ATOM   2101 H HB   . THR A 1 129 ? 0.78995  11.07489 9.76161   1.000 10.28125 ? 156 THR A HB   1 
ATOM   2102 H HG1  . THR A 1 129 ? -0.22474 9.37121  10.84544  1.000 12.22538 ? 156 THR A HG1  1 
ATOM   2103 H HG21 . THR A 1 129 ? -0.46566 10.54677 7.76316   1.000 11.15042 ? 156 THR A HG21 1 
ATOM   2104 H HG22 . THR A 1 129 ? 1.05616  10.88215 7.50996   1.000 11.15042 ? 156 THR A HG22 1 
ATOM   2105 H HG23 . THR A 1 129 ? 0.56960  9.38025  7.51827   1.000 11.15042 ? 156 THR A HG23 1 
ATOM   2106 N N    . LEU A 1 130 ? 3.69837  9.11499  8.00287   1.000 8.26836  ? 157 LEU A N    1 
ATOM   2107 C CA   . LEU A 1 130 ? 4.82037  9.49181  7.16534   1.000 7.01970  ? 157 LEU A CA   1 
ATOM   2108 C C    . LEU A 1 130 ? 4.36264  9.68463  5.72294   1.000 9.15188  ? 157 LEU A C    1 
ATOM   2109 O O    . LEU A 1 130 ? 3.47220  9.00110  5.23930   1.000 10.74302 ? 157 LEU A O    1 
ATOM   2110 C CB   . LEU A 1 130 ? 5.89492  8.41376  7.24398   1.000 5.97202  ? 157 LEU A CB   1 
ATOM   2111 C CG   . LEU A 1 130 ? 6.44236  8.16498  8.65262   1.000 11.75947 ? 157 LEU A CG   1 
ATOM   2112 C CD1  . LEU A 1 130 ? 7.23085  6.90685  8.62731   1.000 10.98084 ? 157 LEU A CD1  1 
ATOM   2113 C CD2  . LEU A 1 130 ? 7.28353  9.32953  9.09742   1.000 11.89102 ? 157 LEU A CD2  1 
ATOM   2114 H H    . LEU A 1 130 ? 3.42011  8.31281  7.86620   1.000 9.96518  ? 157 LEU A H    1 
ATOM   2115 H HA   . LEU A 1 130 ? 5.19860  10.33535 7.45908   1.000 8.46679  ? 157 LEU A HA   1 
ATOM   2116 H HB2  . LEU A 1 130 ? 5.51846  7.57919  6.92353   1.000 7.20958  ? 157 LEU A HB2  1 
ATOM   2117 H HB3  . LEU A 1 130 ? 6.63969  8.67916  6.68204   1.000 7.20958  ? 157 LEU A HB3  1 
ATOM   2118 H HG   . LEU A 1 130 ? 5.72157  8.07480  9.29545   1.000 14.15452 ? 157 LEU A HG   1 
ATOM   2119 H HD11 . LEU A 1 130 ? 7.60535  6.75107  9.50843   1.000 13.22016 ? 157 LEU A HD11 1 
ATOM   2120 H HD12 . LEU A 1 130 ? 6.64632  6.17271  8.38182   1.000 13.22016 ? 157 LEU A HD12 1 
ATOM   2121 H HD13 . LEU A 1 130 ? 7.94391  6.99410  7.97552   1.000 13.22016 ? 157 LEU A HD13 1 
ATOM   2122 H HD21 . LEU A 1 130 ? 7.68125  9.12162  9.95735   1.000 14.31237 ? 157 LEU A HD21 1 
ATOM   2123 H HD22 . LEU A 1 130 ? 7.97958  9.48564  8.44011   1.000 14.31237 ? 157 LEU A HD22 1 
ATOM   2124 H HD23 . LEU A 1 130 ? 6.71967  10.11499 9.17500   1.000 14.31237 ? 157 LEU A HD23 1 
ATOM   2125 N N    . PHE A 1 131 ? 4.98615  10.64025 5.04329   1.000 8.47559  ? 158 PHE A N    1 
ATOM   2126 C CA   . PHE A 1 131 ? 4.79861  10.83323 3.61324   1.000 10.76387 ? 158 PHE A CA   1 
ATOM   2127 C C    . PHE A 1 131 ? 6.10653  10.55335 2.88591   1.000 11.09228 ? 158 PHE A C    1 
ATOM   2128 O O    . PHE A 1 131 ? 7.18932  10.84902 3.38875   1.000 8.90944  ? 158 PHE A O    1 
ATOM   2129 C CB   . PHE A 1 131 ? 4.36234  12.24594 3.28640   1.000 9.67610  ? 158 PHE A CB   1 
ATOM   2130 C CG   . PHE A 1 131 ? 3.09849  12.66257 3.93987   1.000 13.08620 ? 158 PHE A CG   1 
ATOM   2131 C CD1  . PHE A 1 131 ? 1.87282  12.25574 3.43655   1.000 14.15081 ? 158 PHE A CD1  1 
ATOM   2132 C CD2  . PHE A 1 131 ? 3.12363  13.49341 5.02998   1.000 13.77833 ? 158 PHE A CD2  1 
ATOM   2133 C CE1  . PHE A 1 131 ? 0.68732  12.66175 4.05359   1.000 14.45652 ? 158 PHE A CE1  1 
ATOM   2134 C CE2  . PHE A 1 131 ? 1.96335  13.88976 5.64116   1.000 21.04063 ? 158 PHE A CE2  1 
ATOM   2135 C CZ   . PHE A 1 131 ? 0.74534  13.46941 5.15246   1.000 17.41060 ? 158 PHE A CZ   1 
ATOM   2136 H H    . PHE A 1 131 ? 5.53413  11.20041 5.39760   1.000 10.21387 ? 158 PHE A H    1 
ATOM   2137 H HA   . PHE A 1 131 ? 4.11193  10.22232 3.30314   1.000 12.95980 ? 158 PHE A HA   1 
ATOM   2138 H HB2  . PHE A 1 131 ? 5.05715  12.85875 3.57381   1.000 11.65448 ? 158 PHE A HB2  1 
ATOM   2139 H HB3  . PHE A 1 131 ? 4.23389  12.31617 2.32751   1.000 11.65448 ? 158 PHE A HB3  1 
ATOM   2140 H HD1  . PHE A 1 131 ? 1.83959  11.70980 2.68439   1.000 17.02413 ? 158 PHE A HD1  1 
ATOM   2141 H HD2  . PHE A 1 131 ? 3.94031  13.79237 5.35947   1.000 16.57715 ? 158 PHE A HD2  1 
ATOM   2142 H HE1  . PHE A 1 131 ? -0.13462 12.38415 3.71855   1.000 17.39098 ? 158 PHE A HE1  1 
ATOM   2143 H HE2  . PHE A 1 131 ? 1.99777  14.44366 6.38743   1.000 25.29191 ? 158 PHE A HE2  1 
ATOM   2144 H HZ   . PHE A 1 131 ? -0.03989 13.73696 5.57284   1.000 20.93588 ? 158 PHE A HZ   1 
ATOM   2145 N N    . CYS A 1 132 ? 5.98986  10.00168 1.68143   1.000 9.47728  ? 159 CYS A N    1 
ATOM   2146 C CA   . CYS A 1 132 ? 7.13998  9.78623  0.81934   1.000 8.93952  ? 159 CYS A CA   1 
ATOM   2147 C C    . CYS A 1 132 ? 6.75120  10.27635 -0.56865  1.000 9.47326  ? 159 CYS A C    1 
ATOM   2148 O O    . CYS A 1 132 ? 5.65621  9.97616  -1.04729  1.000 10.98965 ? 159 CYS A O    1 
ATOM   2149 C CB   . CYS A 1 132 ? 7.54177  8.32258  0.79332   1.000 9.17452  ? 159 CYS A CB   1 
ATOM   2150 S SG   . CYS A 1 132 ? 8.94177  8.04010  -0.31208  1.000 14.32572 ? 159 CYS A SG   1 
ATOM   2151 H H    . CYS A 1 132 ? 5.24434  9.74187  1.34042   1.000 11.41589 ? 159 CYS A H    1 
ATOM   2152 H HA   . CYS A 1 132 ? 7.91156  10.28531 1.12995   1.000 10.77058 ? 159 CYS A HA   1 
ATOM   2153 H HB2  . CYS A 1 132 ? 7.79673  8.04437  1.68690   1.000 11.05257 ? 159 CYS A HB2  1 
ATOM   2154 H HB3  . CYS A 1 132 ? 6.79336  7.79037  0.48102   1.000 11.05257 ? 159 CYS A HB3  1 
ATOM   2155 H HG   . CYS A 1 132 ? 9.86832  8.71020  0.05188   1.000 17.23401 ? 159 CYS A HG   1 
ATOM   2156 N N    . GLU A 1 133 ? 7.59322  11.11721 -1.14940  1.000 7.64241  ? 160 GLU A N    1 
ATOM   2157 C CA   . GLU A 1 133 ? 7.49221  11.50374 -2.55599  1.000 8.89846  ? 160 GLU A CA   1 
ATOM   2158 C C    . GLU A 1 133 ? 8.70213  10.91308 -3.26467  1.000 8.42517  ? 160 GLU A C    1 
ATOM   2159 O O    . GLU A 1 133 ? 9.82598  11.03756 -2.77172  1.000 10.15971 ? 160 GLU A O    1 
ATOM   2160 C CB   . GLU A 1 133 ? 7.46879  13.02587 -2.70669  1.000 14.49823 ? 160 GLU A CB   1 
ATOM   2161 H H    . GLU A 1 133 ? 8.25172  11.48990 -0.74065  1.000 9.21405  ? 160 GLU A H    1 
ATOM   2162 H HA   . GLU A 1 133 ? 6.67706  11.16327 -2.95662  1.000 10.72130 ? 160 GLU A HA   1 
ATOM   2163 N N    . VAL A 1 134 ? 8.48442  10.23697 -4.38267  1.000 11.15314 ? 161 VAL A N    1 
ATOM   2164 C CA   . VAL A 1 134 ? 9.57487  9.69857  -5.18595  1.000 13.10664 ? 161 VAL A CA   1 
ATOM   2165 C C    . VAL A 1 134 ? 9.50756  10.30024 -6.58457  1.000 12.67149 ? 161 VAL A C    1 
ATOM   2166 O O    . VAL A 1 134 ? 8.41843  10.44434 -7.14988  1.000 13.88885 ? 161 VAL A O    1 
ATOM   2167 C CB   . VAL A 1 134 ? 9.53457  8.15686  -5.27705  1.000 12.48367 ? 161 VAL A CB   1 
ATOM   2168 C CG1  . VAL A 1 134 ? 10.77955 7.65817  -5.98599  1.000 12.53074 ? 161 VAL A CG1  1 
ATOM   2169 C CG2  . VAL A 1 134 ? 9.39474  7.55482  -3.89860  1.000 13.47992 ? 161 VAL A CG2  1 
ATOM   2170 H H    . VAL A 1 134 ? 7.70266  10.07422 -4.70200  1.000 13.42693 ? 161 VAL A H    1 
ATOM   2171 H HA   . VAL A 1 134 ? 10.41114 9.96042  -4.77003  1.000 15.77113 ? 161 VAL A HA   1 
ATOM   2172 H HB   . VAL A 1 134 ? 8.76350  7.87325  -5.79272  1.000 15.02356 ? 161 VAL A HB   1 
ATOM   2173 H HG11 . VAL A 1 134 ? 10.83291 6.69440  -5.89009  1.000 15.08004 ? 161 VAL A HG11 1 
ATOM   2174 H HG12 . VAL A 1 134 ? 10.72427 7.89458  -6.92511  1.000 15.08004 ? 161 VAL A HG12 1 
ATOM   2175 H HG13 . VAL A 1 134 ? 11.55899 8.07409  -5.58552  1.000 15.08004 ? 161 VAL A HG13 1 
ATOM   2176 H HG21 . VAL A 1 134 ? 9.43467  6.58832  -3.97057  1.000 16.21906 ? 161 VAL A HG21 1 
ATOM   2177 H HG22 . VAL A 1 134 ? 10.11953 7.87507  -3.33911  1.000 16.21906 ? 161 VAL A HG22 1 
ATOM   2178 H HG23 . VAL A 1 134 ? 8.54233  7.82351  -3.52162  1.000 16.21906 ? 161 VAL A HG23 1 
ATOM   2179 N N    . SER A 1 135 ? 10.66866 10.64552 -7.14470  1.000 11.84068 ? 162 SER A N    1 
ATOM   2180 C CA   . SER A 1 135 ? 10.74420 11.13357 -8.51697  1.000 13.31008 ? 162 SER A CA   1 
ATOM   2181 C C    . SER A 1 135 ? 11.74111 10.27008 -9.28074  1.000 14.11673 ? 162 SER A C    1 
ATOM   2182 O O    . SER A 1 135 ? 12.91215 10.20885 -8.89073  1.000 14.50394 ? 162 SER A O    1 
ATOM   2183 C CB   . SER A 1 135 ? 11.20353 12.59473 -8.58659  1.000 19.07539 ? 162 SER A CB   1 
ATOM   2184 O OG   . SER A 1 135 ? 10.46482 13.40906 -7.69599  1.000 35.54218 ? 162 SER A OG   1 
ATOM   2185 H H    . SER A 1 135 ? 11.42888 10.60437 -6.74473  1.000 13.99304 ? 162 SER A H    1 
ATOM   2186 H HA   . SER A 1 135 ? 9.86308  11.06208 -8.91624  1.000 15.75632 ? 162 SER A HA   1 
ATOM   2187 H HB2  . SER A 1 135 ? 12.14261 12.64024 -8.34794  1.000 22.93363 ? 162 SER A HB2  1 
ATOM   2188 H HB3  . SER A 1 135 ? 11.07480 12.92147 -9.49078  1.000 22.93363 ? 162 SER A HB3  1 
ATOM   2189 H HG   . SER A 1 135 ? 10.76015 14.19524 -7.71344  1.000 42.69377 ? 162 SER A HG   1 
ATOM   2190 N N    . VAL A 1 136 ? 11.31059 9.67069  -10.37925 1.000 14.74950 ? 163 VAL A N    1 
ATOM   2191 C CA   . VAL A 1 136 ? 12.15111 8.77753  -11.17254 1.000 16.79622 ? 163 VAL A CA   1 
ATOM   2192 C C    . VAL A 1 136 ? 12.32619 9.37437  -12.55634 1.000 20.92486 ? 163 VAL A C    1 
ATOM   2193 O O    . VAL A 1 136 ? 11.34564 9.75178  -13.20431 1.000 20.69995 ? 163 VAL A O    1 
ATOM   2194 C CB   . VAL A 1 136 ? 11.55732 7.35899  -11.29956 1.000 23.40305 ? 163 VAL A CB   1 
ATOM   2195 C CG1  . VAL A 1 136 ? 12.43487 6.50013  -12.24663 1.000 21.49896 ? 163 VAL A CG1  1 
ATOM   2196 C CG2  . VAL A 1 136 ? 11.40740 6.70178  -9.94924  1.000 21.66892 ? 163 VAL A CG2  1 
ATOM   2197 H H    . VAL A 1 136 ? 10.51657 9.76596  -10.69557 1.000 17.48363 ? 163 VAL A H    1 
ATOM   2198 H HA   . VAL A 1 136 ? 13.01466 8.71672  -10.73495 1.000 20.19861 ? 163 VAL A HA   1 
ATOM   2199 H HB   . VAL A 1 136 ? 10.66815 7.42533  -11.68150 1.000 28.12681 ? 163 VAL A HB   1 
ATOM   2200 H HG11 . VAL A 1 136 ? 12.21532 5.56406  -12.11826 1.000 25.84191 ? 163 VAL A HG11 1 
ATOM   2201 H HG12 . VAL A 1 136 ? 12.25604 6.75902  -13.16418 1.000 25.84191 ? 163 VAL A HG12 1 
ATOM   2202 H HG13 . VAL A 1 136 ? 13.36938 6.65259  -12.03606 1.000 25.84191 ? 163 VAL A HG13 1 
ATOM   2203 H HG21 . VAL A 1 136 ? 10.98341 5.83696  -10.06425 1.000 26.04586 ? 163 VAL A HG21 1 
ATOM   2204 H HG22 . VAL A 1 136 ? 12.28581 6.58949  -9.55340  1.000 26.04586 ? 163 VAL A HG22 1 
ATOM   2205 H HG23 . VAL A 1 136 ? 10.85887 7.26633  -9.38240  1.000 26.04586 ? 163 VAL A HG23 1 
ATOM   2206 N N    . VAL A 1 137 ? 13.56156 9.40254  -13.03352 1.000 34.24134 ? 164 VAL A N    1 
ATOM   2207 C CA   . VAL A 1 137 ? 13.87459 10.00068 -14.31908 1.000 36.99070 ? 164 VAL A CA   1 
ATOM   2208 C C    . VAL A 1 137 ? 13.07600 9.37867  -15.46060 1.000 36.44613 ? 164 VAL A C    1 
ATOM   2209 O O    . VAL A 1 137 ? 13.34564 8.26324  -15.88534 1.000 39.44622 ? 164 VAL A O    1 
ATOM   2210 C CB   . VAL A 1 137 ? 15.39066 9.88461  -14.58504 1.000 44.88678 ? 164 VAL A CB   1 
ATOM   2211 C CG1  . VAL A 1 137 ? 16.15553 10.88967 -13.72235 1.000 48.72120 ? 164 VAL A CG1  1 
ATOM   2212 C CG2  . VAL A 1 137 ? 15.87886 8.45354  -14.31442 1.000 42.53666 ? 164 VAL A CG2  1 
ATOM   2213 H H    . VAL A 1 137 ? 14.24508 9.07709  -12.62549 1.000 41.13276 ? 164 VAL A H    1 
ATOM   2214 H HA   . VAL A 1 137 ? 13.61829 10.93581 -14.29184 1.000 44.43199 ? 164 VAL A HA   1 
ATOM   2215 H HB   . VAL A 1 137 ? 15.56514 10.08750 -15.51740 1.000 53.90730 ? 164 VAL A HB   1 
ATOM   2216 H HG11 . VAL A 1 137 ? 16.76292 11.39275 -14.28706 1.000 58.50859 ? 164 VAL A HG11 1 
ATOM   2217 H HG12 . VAL A 1 137 ? 15.52163 11.49066 -13.30058 1.000 58.50859 ? 164 VAL A HG12 1 
ATOM   2218 H HG13 . VAL A 1 137 ? 16.65583 10.40816 -13.04503 1.000 58.50859 ? 164 VAL A HG13 1 
ATOM   2219 H HG21 . VAL A 1 137 ? 16.75970 8.34124  -14.70482 1.000 51.08714 ? 164 VAL A HG21 1 
ATOM   2220 H HG22 . VAL A 1 137 ? 15.92111 8.31022  -13.35600 1.000 51.08714 ? 164 VAL A HG22 1 
ATOM   2221 H HG23 . VAL A 1 137 ? 15.25687 7.82654  -14.71554 1.000 51.08714 ? 164 VAL A HG23 1 
ATOM   2222 N N    . ASN B 2 1   ? 27.21587 18.60206 21.50506  1.000 46.22801 ? 91  ASN B N    1 
ATOM   2223 C CA   . ASN B 2 1   ? 26.93956 17.20089 21.18633  1.000 49.73092 ? 91  ASN B CA   1 
ATOM   2224 C C    . ASN B 2 1   ? 26.33895 17.06289 19.78356  1.000 55.48909 ? 91  ASN B C    1 
ATOM   2225 O O    . ASN B 2 1   ? 25.65436 17.96587 19.29388  1.000 48.87893 ? 91  ASN B O    1 
ATOM   2226 C CB   . ASN B 2 1   ? 25.98349 16.59031 22.22006  1.000 42.99935 ? 91  ASN B CB   1 
ATOM   2227 C CG   . ASN B 2 1   ? 26.65196 16.32088 23.56546  1.000 49.19261 ? 91  ASN B CG   1 
ATOM   2228 O OD1  . ASN B 2 1   ? 27.85049 16.55739 23.74643  1.000 52.11262 ? 91  ASN B OD1  1 
ATOM   2229 N ND2  . ASN B 2 1   ? 25.87048 15.82379 24.52080  1.000 51.30092 ? 91  ASN B ND2  1 
ATOM   2230 H HA   . ASN B 2 1   ? 27.77301 16.70529 21.21166  1.000 59.72026 ? 91  ASN B HA   1 
ATOM   2231 H HB2  . ASN B 2 1   ? 25.24749 17.20416 22.36971  1.000 51.64238 ? 91  ASN B HB2  1 
ATOM   2232 H HB3  . ASN B 2 1   ? 25.64772 15.74662 21.87897  1.000 51.64238 ? 91  ASN B HB3  1 
ATOM   2233 H HD21 . ASN B 2 1   ? 26.19680 15.65356 25.29806  1.000 61.60426 ? 91  ASN B HD21 1 
ATOM   2234 H HD22 . ASN B 2 1   ? 25.03907 15.67273 24.36100  1.000 61.60426 ? 91  ASN B HD22 1 
ATOM   2235 N N    . ASP B 2 2   ? 26.60685 15.92598 19.14452  1.000 51.12696 ? 92  ASP B N    1 
ATOM   2236 C CA   . ASP B 2 2   ? 26.02713 15.60938 17.83946  1.000 47.99294 ? 92  ASP B CA   1 
ATOM   2237 C C    . ASP B 2 2   ? 24.64473 14.99345 18.05388  1.000 48.03527 ? 92  ASP B C    1 
ATOM   2238 O O    . ASP B 2 2   ? 24.42616 13.79275 17.89670  1.000 45.23607 ? 92  ASP B O    1 
ATOM   2239 C CB   . ASP B 2 2   ? 26.94700 14.67255 17.06315  1.000 59.74628 ? 92  ASP B CB   1 
ATOM   2240 C CG   . ASP B 2 2   ? 26.81744 14.83633 15.55693  1.000 62.84279 ? 92  ASP B CG   1 
ATOM   2241 O OD1  . ASP B 2 2   ? 26.85289 15.98752 15.07379  1.000 71.99627 ? 92  ASP B OD1  1 
ATOM   2242 O OD2  . ASP B 2 2   ? 26.67324 13.81062 14.85906  1.000 57.92972 ? 92  ASP B OD2  1 
ATOM   2243 H H    . ASP B 2 2   ? 27.12797 15.31349 19.44930  1.000 61.39551 ? 92  ASP B H    1 
ATOM   2244 H HA   . ASP B 2 2   ? 25.92824 16.42558 17.32475  1.000 57.63468 ? 92  ASP B HA   1 
ATOM   2245 H HB2  . ASP B 2 2   ? 27.86709 14.85906 17.30715  1.000 71.73870 ? 92  ASP B HB2  1 
ATOM   2246 H HB3  . ASP B 2 2   ? 26.72430 13.75499 17.28539  1.000 71.73870 ? 92  ASP B HB3  1 
ATOM   2247 N N    . ASP B 2 3   ? 23.70379 15.85355 18.42894  1.000 32.37759 ? 93  ASP B N    1 
ATOM   2248 C CA   . ASP B 2 3   ? 22.36007 15.42053 18.81018  1.000 34.48361 ? 93  ASP B CA   1 
ATOM   2249 C C    . ASP B 2 3   ? 21.29943 16.26914 18.11854  1.000 26.75029 ? 93  ASP B C    1 
ATOM   2250 O O    . ASP B 2 3   ? 20.26285 16.62107 18.70304  1.000 29.56568 ? 93  ASP B O    1 
ATOM   2251 C CB   . ASP B 2 3   ? 22.20896 15.45203 20.32716  1.000 33.66580 ? 93  ASP B CB   1 
ATOM   2252 C CG   . ASP B 2 3   ? 22.22613 16.85691 20.88549  1.000 51.95629 ? 93  ASP B CG   1 
ATOM   2253 O OD1  . ASP B 2 3   ? 22.48323 17.79142 20.09951  1.000 40.03827 ? 93  ASP B OD1  1 
ATOM   2254 O OD2  . ASP B 2 3   ? 22.02421 17.01849 22.11366  1.000 52.52841 ? 93  ASP B OD2  1 
ATOM   2255 H H    . ASP B 2 3   ? 23.82021 16.70457 18.47151  1.000 38.89626 ? 93  ASP B H    1 
ATOM   2256 H HA   . ASP B 2 3   ? 22.22143 14.50755 18.51329  1.000 41.42349 ? 93  ASP B HA   1 
ATOM   2257 H HB2  . ASP B 2 3   ? 21.36350 15.04290 20.56949  1.000 40.44212 ? 93  ASP B HB2  1 
ATOM   2258 H HB3  . ASP B 2 3   ? 22.94253 14.96040 20.72850  1.000 40.44212 ? 93  ASP B HB3  1 
ATOM   2259 N N    . ASP B 2 4   ? 21.55518 16.60573 16.85354  1.000 25.31813 ? 94  ASP B N    1 
ATOM   2260 C CA   . ASP B 2 4   ? 20.58857 17.33812 16.05110  1.000 18.67681 ? 94  ASP B CA   1 
ATOM   2261 C C    . ASP B 2 4   ? 19.27493 16.56611 15.95989  1.000 16.79586 ? 94  ASP B C    1 
ATOM   2262 O O    . ASP B 2 4   ? 19.24064 15.33090 16.00839  1.000 16.26451 ? 94  ASP B O    1 
ATOM   2263 C CB   . ASP B 2 4   ? 21.12716 17.54418 14.63762  1.000 19.12114 ? 94  ASP B CB   1 
ATOM   2264 C CG   . ASP B 2 4   ? 22.33686 18.44648 14.58760  1.000 35.75298 ? 94  ASP B CG   1 
ATOM   2265 O OD1  . ASP B 2 4   ? 22.47333 19.31756 15.47198  1.000 34.63444 ? 94  ASP B OD1  1 
ATOM   2266 O OD2  . ASP B 2 4   ? 23.16104 18.26544 13.66146  1.000 42.04713 ? 94  ASP B OD2  1 
ATOM   2267 H H    . ASP B 2 4   ? 22.28489 16.41936 16.43834  1.000 30.42492 ? 94  ASP B H    1 
ATOM   2268 H HA   . ASP B 2 4   ? 20.42568 18.20133 16.46247  1.000 22.19640 ? 94  ASP B HA   1 
ATOM   2269 H HB2  . ASP B 2 4   ? 21.38184 16.68357 14.26966  1.000 22.98852 ? 94  ASP B HB2  1 
ATOM   2270 H HB3  . ASP B 2 4   ? 20.43294 17.94590 14.09212  1.000 22.98852 ? 94  ASP B HB3  1 
ATOM   2271 N N    . VAL B 2 5   ? 18.18338 17.30399 15.74446  1.000 15.99040 ? 95  VAL B N    1 
ATOM   2272 C CA   . VAL B 2 5   ? 16.88292 16.63091 15.68146  1.000 14.54236 ? 95  VAL B CA   1 
ATOM   2273 C C    . VAL B 2 5   ? 16.81084 15.68978 14.49197  1.000 13.02403 ? 95  VAL B C    1 
ATOM   2274 O O    . VAL B 2 5   ? 16.14649 14.64798 14.55267  1.000 12.17401 ? 95  VAL B O    1 
ATOM   2275 C CB   . VAL B 2 5   ? 15.75902 17.68780 15.65954  1.000 17.99630 ? 95  VAL B CB   1 
ATOM   2276 C CG1  . VAL B 2 5   ? 14.39783 17.04355 15.47032  1.000 16.40402 ? 95  VAL B CG1  1 
ATOM   2277 C CG2  . VAL B 2 5   ? 15.82744 18.49384 16.95555  1.000 25.89602 ? 95  VAL B CG2  1 
ATOM   2278 H H    . VAL B 2 5   ? 18.16810 18.15702 15.63630  1.000 18.97270 ? 95  VAL B H    1 
ATOM   2279 H HA   . VAL B 2 5   ? 16.76954 16.08616 16.47599  1.000 17.23506 ? 95  VAL B HA   1 
ATOM   2280 H HB   . VAL B 2 5   ? 15.88015 18.28663 14.90612  1.000 21.63872 ? 95  VAL B HB   1 
ATOM   2281 H HG11 . VAL B 2 5   ? 13.71403 17.64758 15.79964  1.000 19.72797 ? 95  VAL B HG11 1 
ATOM   2282 H HG12 . VAL B 2 5   ? 14.25907 16.87006 14.52610  1.000 19.72797 ? 95  VAL B HG12 1 
ATOM   2283 H HG13 . VAL B 2 5   ? 14.37076 16.21086 15.96711  1.000 19.72797 ? 95  VAL B HG13 1 
ATOM   2284 H HG21 . VAL B 2 5   ? 15.09452 19.12904 16.97146  1.000 31.11838 ? 95  VAL B HG21 1 
ATOM   2285 H HG22 . VAL B 2 5   ? 15.75572 17.88710 17.70896  1.000 31.11838 ? 95  VAL B HG22 1 
ATOM   2286 H HG23 . VAL B 2 5   ? 16.67450 18.96522 16.98994  1.000 31.11838 ? 95  VAL B HG23 1 
ATOM   2287 N N    . GLN B 2 6   ? 17.45855 16.05156 13.39108  1.000 12.85326 ? 96  GLN B N    1 
ATOM   2288 C CA   . GLN B 2 6   ? 17.55180 15.20894 12.21169  1.000 11.70530 ? 96  GLN B CA   1 
ATOM   2289 C C    . GLN B 2 6   ? 18.96635 15.34544 11.66930  1.000 12.63897 ? 96  GLN B C    1 
ATOM   2290 O O    . GLN B 2 6   ? 19.61174 16.38355 11.85945  1.000 13.92879 ? 96  GLN B O    1 
ATOM   2291 C CB   . GLN B 2 6   ? 16.58457 15.62235 11.10844  1.000 10.59292 ? 96  GLN B CB   1 
ATOM   2292 C CG   . GLN B 2 6   ? 15.20677 15.92216 11.51949  1.000 10.20162 ? 96  GLN B CG   1 
ATOM   2293 C CD   . GLN B 2 6   ? 14.37826 16.27787 10.29814  1.000 10.04625 ? 96  GLN B CD   1 
ATOM   2294 O OE1  . GLN B 2 6   ? 14.42406 17.41360 9.82572   1.000 14.25614 ? 96  GLN B OE1  1 
ATOM   2295 N NE2  . GLN B 2 6   ? 13.69376 15.28279 9.74164   1.000 8.45059  ? 96  GLN B NE2  1 
ATOM   2296 H H    . GLN B 2 6   ? 17.86430 16.80459 13.30212  1.000 15.20814 ? 96  GLN B H    1 
ATOM   2297 H HA   . GLN B 2 6   ? 17.35346 14.29302 12.46199  1.000 13.83059 ? 96  GLN B HA   1 
ATOM   2298 H HB2  . GLN B 2 6   ? 16.93493 16.42189 10.68549  1.000 12.49573 ? 96  GLN B HB2  1 
ATOM   2299 H HB3  . GLN B 2 6   ? 16.53740 14.89936 10.46349  1.000 12.49573 ? 96  GLN B HB3  1 
ATOM   2300 H HG2  . GLN B 2 6   ? 14.81551 15.14490 11.94808  1.000 12.02617 ? 96  GLN B HG2  1 
ATOM   2301 H HG3  . GLN B 2 6   ? 15.20304 16.67520 12.13089  1.000 12.02617 ? 96  GLN B HG3  1 
ATOM   2302 H HE21 . GLN B 2 6   ? 13.73659 14.49164 10.07608  1.000 10.18386 ? 96  GLN B HE21 1 
ATOM   2303 H HE22 . GLN B 2 6   ? 13.20827 15.43041 9.04730   1.000 10.18386 ? 96  GLN B HE22 1 
ATOM   2304 N N    . LYS B 2 7   ? 19.40488 14.32815 10.92920  1.000 12.15786 ? 97  LYS B N    1 
ATOM   2305 C CA   . LYS B 2 7   ? 20.60310 14.43818 10.11616  1.000 13.01561 ? 97  LYS B CA   1 
ATOM   2306 C C    . LYS B 2 7   ? 20.27336 14.11399 8.67058   1.000 11.84792 ? 97  LYS B C    1 
ATOM   2307 O O    . LYS B 2 7   ? 19.61242 13.12136 8.39037   1.000 12.34524 ? 97  LYS B O    1 
ATOM   2308 C CB   . LYS B 2 7   ? 21.71508 13.50191 10.57994  1.000 14.22485 ? 97  LYS B CB   1 
ATOM   2309 C CG   . LYS B 2 7   ? 22.08086 13.61784 12.04126  1.000 16.76600 ? 97  LYS B CG   1 
ATOM   2310 C CD   . LYS B 2 7   ? 22.83439 14.86865 12.31575  1.000 25.96080 ? 97  LYS B CD   1 
ATOM   2311 C CE   . LYS B 2 7   ? 24.21266 14.83543 11.69892  1.000 30.62531 ? 97  LYS B CE   1 
ATOM   2312 N NZ   . LYS B 2 7   ? 25.17789 15.56971 12.56411  1.000 39.66943 ? 97  LYS B NZ   1 
ATOM   2313 H H    . LYS B 2 7   ? 19.01876 13.56097 10.88500  1.000 14.37366 ? 97  LYS B H    1 
ATOM   2314 H HA   . LYS B 2 7   ? 20.92701 15.35013 10.18193  1.000 15.40296 ? 97  LYS B HA   1 
ATOM   2315 H HB2  . LYS B 2 7   ? 21.43170 12.58761 10.42292  1.000 16.85405 ? 97  LYS B HB2  1 
ATOM   2316 H HB3  . LYS B 2 7   ? 22.51364 13.69494 10.06425  1.000 16.85405 ? 97  LYS B HB3  1 
ATOM   2317 H HG2  . LYS B 2 7   ? 21.27132 13.62601 12.57555  1.000 20.16236 ? 97  LYS B HG2  1 
ATOM   2318 H HG3  . LYS B 2 7   ? 22.63756 12.86475 12.29395  1.000 20.16236 ? 97  LYS B HG3  1 
ATOM   2319 H HD2  . LYS B 2 7   ? 22.35181 15.62245 11.94183  1.000 31.19612 ? 97  LYS B HD2  1 
ATOM   2320 H HD3  . LYS B 2 7   ? 22.93265 14.98013 13.27430  1.000 31.19612 ? 97  LYS B HD3  1 
ATOM   2321 H HE2  . LYS B 2 7   ? 24.50960 13.91607 11.61236  1.000 36.79353 ? 97  LYS B HE2  1 
ATOM   2322 H HE3  . LYS B 2 7   ? 24.19064 15.26042 10.82725  1.000 36.79353 ? 97  LYS B HE3  1 
ATOM   2323 H HZ1  . LYS B 2 7   ? 25.18321 15.21735 13.38137  1.000 47.64647 ? 97  LYS B HZ1  1 
ATOM   2324 H HZ2  . LYS B 2 7   ? 24.94500 16.42684 12.62063  1.000 47.64647 ? 97  LYS B HZ2  1 
ATOM   2325 H HZ3  . LYS B 2 7   ? 25.99714 15.51505 12.22067  1.000 47.64647 ? 97  LYS B HZ3  1 
ATOM   2326 N N    . ALA B 2 8   ? 20.78319 14.92867 7.75979   1.000 13.58925 ? 98  ALA B N    1 
ATOM   2327 C CA   . ALA B 2 8   ? 20.36208 14.84072 6.36839   1.000 15.75765 ? 98  ALA B CA   1 
ATOM   2328 C C    . ALA B 2 8   ? 21.15439 13.82269 5.56953   1.000 13.86327 ? 98  ALA B C    1 
ATOM   2329 O O    . ALA B 2 8   ? 20.88796 13.66170 4.37030   1.000 15.82396 ? 98  ALA B O    1 
ATOM   2330 C CB   . ALA B 2 8   ? 20.49002 16.20944 5.69220   1.000 21.80865 ? 98  ALA B CB   1 
ATOM   2331 H H    . ALA B 2 8   ? 21.37002 15.53643 7.92060   1.000 16.35025 ? 98  ALA B H    1 
ATOM   2332 H HA   . ALA B 2 8   ? 19.42898 14.57629 6.35147   1.000 18.95234 ? 98  ALA B HA   1 
ATOM   2333 H HB1  . ALA B 2 8   ? 20.19119 16.13638 4.77228   1.000 26.21353 ? 98  ALA B HB1  1 
ATOM   2334 H HB2  . ALA B 2 8   ? 19.93930 16.84995 6.16901   1.000 26.21353 ? 98  ALA B HB2  1 
ATOM   2335 H HB3  . ALA B 2 8   ? 21.41870 16.48843 5.71715   1.000 26.21353 ? 98  ALA B HB3  1 
ATOM   2336 N N    . ASP B 2 9   ? 22.10387 13.14068 6.19243   1.000 13.91449 ? 99  ASP B N    1 
ATOM   2337 C CA   . ASP B 2 9   ? 22.96628 12.20233 5.48241   1.000 13.36296 ? 99  ASP B CA   1 
ATOM   2338 C C    . ASP B 2 9   ? 22.14337 11.03293 4.96767   1.000 11.83216 ? 99  ASP B C    1 
ATOM   2339 O O    . ASP B 2 9   ? 21.38284 10.43285 5.72901   1.000 10.94475 ? 99  ASP B O    1 
ATOM   2340 C CB   . ASP B 2 9   ? 24.05091 11.70798 6.42664   1.000 15.02815 ? 99  ASP B CB   1 
ATOM   2341 C CG   . ASP B 2 9   ? 24.85919 12.84222 7.00417   1.000 35.69089 ? 99  ASP B CG   1 
ATOM   2342 O OD1  . ASP B 2 9   ? 25.84279 13.27879 6.35841   1.000 41.03224 ? 99  ASP B OD1  1 
ATOM   2343 O OD2  . ASP B 2 9   ? 24.45605 13.34186 8.08100   1.000 30.69965 ? 99  ASP B OD2  1 
ATOM   2344 H H    . ASP B 2 9   ? 22.27311 13.20155 7.03341   1.000 16.74055 ? 99  ASP B H    1 
ATOM   2345 H HA   . ASP B 2 9   ? 23.38522 12.63753 4.72347   1.000 15.99856 ? 99  ASP B HA   1 
ATOM   2346 H HB2  . ASP B 2 9   ? 23.63909 11.22527 7.16032   1.000 17.81801 ? 99  ASP B HB2  1 
ATOM   2347 H HB3  . ASP B 2 9   ? 24.65358 11.12297 5.94141   1.000 17.81801 ? 99  ASP B HB3  1 
ATOM   2348 N N    . VAL B 2 10  ? 22.30328 10.70501 3.67337   1.000 11.75094 ? 100 VAL B N    1 
ATOM   2349 C CA   . VAL B 2 10  ? 21.62657 9.57484  3.04388   1.000 10.60933 ? 100 VAL B CA   1 
ATOM   2350 C C    . VAL B 2 10  ? 22.56353 8.37778  3.04051   1.000 11.66465 ? 100 VAL B C    1 
ATOM   2351 O O    . VAL B 2 10  ? 23.77139 8.50537  2.76047   1.000 13.42298 ? 100 VAL B O    1 
ATOM   2352 C CB   . VAL B 2 10  ? 21.16310 9.90931  1.60853   1.000 10.10527 ? 100 VAL B CB   1 
ATOM   2353 C CG1  . VAL B 2 10  ? 20.66184 8.68367  0.90473   1.000 9.36149  ? 100 VAL B CG1  1 
ATOM   2354 C CG2  . VAL B 2 10  ? 20.09198 10.95268 1.65062   1.000 12.83893 ? 100 VAL B CG2  1 
ATOM   2355 H H    . VAL B 2 10  ? 22.81308 11.13802 3.13282   1.000 13.88535 ? 100 VAL B H    1 
ATOM   2356 H HA   . VAL B 2 10  ? 20.84139 9.35571  3.56959   1.000 12.51542 ? 100 VAL B HA   1 
ATOM   2357 H HB   . VAL B 2 10  ? 21.92054 10.25124 1.10826   1.000 11.91055 ? 100 VAL B HB   1 
ATOM   2358 H HG11 . VAL B 2 10  ? 20.15789 8.95340  0.12104   1.000 11.01801 ? 100 VAL B HG11 1 
ATOM   2359 H HG12 . VAL B 2 10  ? 21.41982 8.13960  0.63947   1.000 11.01801 ? 100 VAL B HG12 1 
ATOM   2360 H HG13 . VAL B 2 10  ? 20.09113 8.18367  1.50904   1.000 11.01801 ? 100 VAL B HG13 1 
ATOM   2361 H HG21 . VAL B 2 10  ? 19.83709 11.18040 0.74283   1.000 15.44987 ? 100 VAL B HG21 1 
ATOM   2362 H HG22 . VAL B 2 10  ? 19.32634 10.60009 2.13059   1.000 15.44987 ? 100 VAL B HG22 1 
ATOM   2363 H HG23 . VAL B 2 10  ? 20.43413 11.73836 2.10508   1.000 15.44987 ? 100 VAL B HG23 1 
ATOM   2364 N N    . SER B 2 11  ? 22.01827 7.20548  3.36290   1.000 10.99619 ? 101 SER B N    1 
ATOM   2365 C CA   . SER B 2 11  ? 22.80052 5.98157  3.40871   1.000 12.18312 ? 101 SER B CA   1 
ATOM   2366 C C    . SER B 2 11  ? 21.91066 4.81947  3.01088   1.000 11.15356 ? 101 SER B C    1 
ATOM   2367 O O    . SER B 2 11  ? 20.71293 4.97045  2.84541   1.000 9.62293  ? 101 SER B O    1 
ATOM   2368 C CB   . SER B 2 11  ? 23.38454 5.72660  4.79737   1.000 13.44633 ? 101 SER B CB   1 
ATOM   2369 O OG   . SER B 2 11  ? 22.33409 5.50909  5.72362   1.000 13.88670 ? 101 SER B OG   1 
ATOM   2370 H H    . SER B 2 11  ? 21.18844 7.09626  3.56053   1.000 12.97966 ? 101 SER B H    1 
ATOM   2371 H HA   . SER B 2 11  ? 23.52991 6.06199  2.77435   1.000 14.40397 ? 101 SER B HA   1 
ATOM   2372 H HB2  . SER B 2 11  ? 23.95271 4.94101  4.76683   1.000 15.91982 ? 101 SER B HB2  1 
ATOM   2373 H HB3  . SER B 2 11  ? 23.90137 6.49925  5.07452   1.000 15.91982 ? 101 SER B HB3  1 
ATOM   2374 H HG   . SER B 2 11  ? 21.81176 6.16694  5.72533   1.000 16.70720 ? 101 SER B HG   1 
ATOM   2375 N N    . SER B 2 12  ? 22.51954 3.64637  2.85792   1.000 12.29058 ? 102 SER B N    1 
ATOM   2376 C CA   . SER B 2 12  ? 21.78634 2.42613  2.52695   1.000 12.15981 ? 102 SER B CA   1 
ATOM   2377 C C    . SER B 2 12  ? 22.04794 1.37373  3.58754   1.000 13.48001 ? 102 SER B C    1 
ATOM   2378 O O    . SER B 2 12  ? 23.15799 1.29906  4.12347   1.000 19.44914 ? 102 SER B O    1 
ATOM   2379 C CB   . SER B 2 12  ? 22.20526 1.89551  1.16230   1.000 14.14817 ? 102 SER B CB   1 
ATOM   2380 O OG   . SER B 2 12  ? 21.71782 0.58973  0.88306   1.000 13.43945 ? 102 SER B OG   1 
ATOM   2381 H H    . SER B 2 12  ? 23.36754 3.53041  2.94188   1.000 14.53292 ? 102 SER B H    1 
ATOM   2382 H HA   . SER B 2 12  ? 20.83432 2.61098  2.50708   1.000 14.63493 ? 102 SER B HA   1 
ATOM   2383 H HB2  . SER B 2 12  ? 21.86477 2.49903  0.48353   1.000 17.02096 ? 102 SER B HB2  1 
ATOM   2384 H HB3  . SER B 2 12  ? 23.17442 1.87202  1.12937   1.000 17.02096 ? 102 SER B HB3  1 
ATOM   2385 H HG   . SER B 2 12  ? 20.87856 0.58286  0.91768   1.000 16.17049 ? 102 SER B HG   1 
ATOM   2386 N N    . THR B 2 13  ? 21.02183 0.56720  3.90875   1.000 12.92936 ? 103 THR B N    1 
ATOM   2387 C CA   . THR B 2 13  ? 21.22083 -0.45491 4.92750   1.000 14.79236 ? 103 THR B CA   1 
ATOM   2388 C C    . THR B 2 13  ? 21.95918 -1.67024 4.39741   1.000 19.88816 ? 103 THR B C    1 
ATOM   2389 O O    . THR B 2 13  ? 22.56337 -2.40415 5.18650   1.000 29.56668 ? 103 THR B O    1 
ATOM   2390 C CB   . THR B 2 13  ? 19.88621 -0.93877 5.49892   1.000 15.77944 ? 103 THR B CB   1 
ATOM   2391 O OG1  . THR B 2 13  ? 19.15439 -1.66435 4.49070   1.000 17.88395 ? 103 THR B OG1  1 
ATOM   2392 C CG2  . THR B 2 13  ? 19.04939 0.20901  5.98612   1.000 18.50942 ? 103 THR B CG2  1 
ATOM   2393 H H    . THR B 2 13  ? 20.23594 0.59705  3.56077   1.000 15.55838 ? 103 THR B H    1 
ATOM   2394 H HA   . THR B 2 13  ? 21.73256 -0.04823 5.64419   1.000 17.79399 ? 103 THR B HA   1 
ATOM   2395 H HB   . THR B 2 13  ? 20.06561 -1.52043 6.25416   1.000 18.97849 ? 103 THR B HB   1 
ATOM   2396 H HG1  . THR B 2 13  ? 18.39985 -1.88519 4.78650   1.000 21.50389 ? 103 THR B HG1  1 
ATOM   2397 H HG21 . THR B 2 13  ? 18.23997 -0.12442 6.40394   1.000 22.25446 ? 103 THR B HG21 1 
ATOM   2398 H HG22 . THR B 2 13  ? 19.54703 0.73030  6.63535   1.000 22.25446 ? 103 THR B HG22 1 
ATOM   2399 H HG23 . THR B 2 13  ? 18.80653 0.78187  5.24197   1.000 22.25446 ? 103 THR B HG23 1 
ATOM   2400 N N    . GLY B 2 14  ? 21.92431 -1.91805 3.09632   1.000 22.06868 ? 104 GLY B N    1 
ATOM   2401 C CA   . GLY B 2 14  ? 22.45523 -3.16936 2.58215   1.000 35.15656 ? 104 GLY B CA   1 
ATOM   2402 C C    . GLY B 2 14  ? 21.82354 -4.35854 3.29027   1.000 36.14927 ? 104 GLY B C    1 
ATOM   2403 O O    . GLY B 2 14  ? 22.48356 -5.36564 3.57482   1.000 47.46764 ? 104 GLY B O    1 
ATOM   2404 H H    . GLY B 2 14  ? 21.60372 -1.38634 2.50125   1.000 26.52557 ? 104 GLY B H    1 
ATOM   2405 H HA2  . GLY B 2 14  ? 22.27001 -3.23704 1.63241   1.000 42.23102 ? 104 GLY B HA2  1 
ATOM   2406 H HA3  . GLY B 2 14  ? 23.41503 -3.19792 2.71954   1.000 42.23102 ? 104 GLY B HA3  1 
HETATM 2407 O O    . HOH C 3 .   ? -4.38456 3.77509  19.21418  1.000 38.12221 ? 201 HOH A O    1 
HETATM 2408 O O    . HOH C 3 .   ? 11.53286 -6.93366 19.72560  1.000 38.61016 ? 202 HOH A O    1 
HETATM 2409 O O    . HOH C 3 .   ? 4.70183  2.05024  -10.90423 1.000 28.62370 ? 203 HOH A O    1 
HETATM 2410 O O    . HOH C 3 .   ? 2.511    23.103   11.643    1.000 29.46919 ? 204 HOH A O    1 
HETATM 2411 O O    . HOH C 3 .   ? 14.17050 1.01048  8.43957   1.000 27.40770 ? 205 HOH A O    1 
HETATM 2412 O O    . HOH C 3 .   ? 0.28211  15.73861 2.26158   1.000 29.65516 ? 206 HOH A O    1 
HETATM 2413 O O    . HOH C 3 .   ? 21.96798 3.29348  7.00803   1.000 19.32200 ? 207 HOH A O    1 
HETATM 2414 O O    . HOH C 3 .   ? 5.16966  -2.42361 16.36944  1.000 30.14998 ? 208 HOH A O    1 
HETATM 2415 O O    . HOH C 3 .   ? 25.58594 8.72461  16.63210  1.000 25.97311 ? 209 HOH A O    1 
HETATM 2416 O O    . HOH C 3 .   ? 24.055   -2.339   20.957    1.000 30.94276 ? 210 HOH A O    1 
HETATM 2417 O O    . HOH C 3 .   ? 18.542   -7.639   -6.326    1.000 21.76621 ? 211 HOH A O    1 
HETATM 2418 O O    . HOH C 3 .   ? 5.56271  5.89959  -15.88072 1.000 36.67111 ? 212 HOH A O    1 
HETATM 2419 O O    . HOH C 3 .   ? 7.96346  21.43155 17.10619  1.000 18.47716 ? 213 HOH A O    1 
HETATM 2420 O O    . HOH C 3 .   ? 8.81298  -4.44919 -11.85008 1.000 23.83577 ? 214 HOH A O    1 
HETATM 2421 O O    . HOH C 3 .   ? 12.224   -7.230   -3.899    1.000 17.25716 ? 215 HOH A O    1 
HETATM 2422 O O    . HOH C 3 .   ? 5.81708  -4.29787 1.37120   1.000 28.99666 ? 216 HOH A O    1 
HETATM 2423 O O    . HOH C 3 .   ? 8.07611  -5.32770 13.00111  1.000 21.98274 ? 217 HOH A O    1 
HETATM 2424 O O    . HOH C 3 .   ? 2.35781  11.79395 12.59734  1.000 7.10040  ? 218 HOH A O    1 
HETATM 2425 O O    . HOH C 3 .   ? 15.34100 -0.57898 5.66225   1.000 27.09098 ? 219 HOH A O    1 
HETATM 2426 O O    . HOH C 3 .   ? 0.12427  -1.91714 -2.12740  1.000 18.89344 ? 220 HOH A O    1 
HETATM 2427 O O    . HOH C 3 .   ? 5.58742  14.86746 18.98574  1.000 12.60459 ? 221 HOH A O    1 
HETATM 2428 O O    . HOH C 3 .   ? 24.976   12.741   -2.307    1.000 28.28484 ? 222 HOH A O    1 
HETATM 2429 O O    . HOH C 3 .   ? 23.19337 12.72853 15.76411  1.000 28.49173 ? 223 HOH A O    1 
HETATM 2430 O O    . HOH C 3 .   ? 13.392   20.911   1.341     1.000 28.43384 ? 224 HOH A O    1 
HETATM 2431 O O    . HOH C 3 .   ? 24.80803 -0.74389 10.85065  1.000 29.88198 ? 225 HOH A O    1 
HETATM 2432 O O    . HOH C 3 .   ? 18.57822 -3.57802 22.14280  1.000 32.54061 ? 226 HOH A O    1 
HETATM 2433 O O    . HOH C 3 .   ? 6.640    18.939   3.038     1.000 37.54972 ? 227 HOH A O    1 
HETATM 2434 O O    . HOH C 3 .   ? 14.00401 -0.47692 15.55301  1.000 10.80441 ? 228 HOH A O    1 
HETATM 2435 O O    . HOH C 3 .   ? 21.67359 4.21804  -12.46568 1.000 23.08382 ? 229 HOH A O    1 
HETATM 2436 O O    . HOH C 3 .   ? 24.51500 5.88145  20.14151  1.000 28.75156 ? 230 HOH A O    1 
HETATM 2437 O O    . HOH C 3 .   ? 17.02830 2.49554  20.38574  1.000 21.82177 ? 231 HOH A O    1 
HETATM 2438 O O    . HOH C 3 .   ? 24.91333 10.05823 0.39679   1.000 25.83116 ? 232 HOH A O    1 
HETATM 2439 O O    . HOH C 3 .   ? -1.23118 3.69322  6.28880   1.000 22.91065 ? 233 HOH A O    1 
HETATM 2440 O O    . HOH C 3 .   ? 5.211    20.026   14.493    1.000 26.01790 ? 234 HOH A O    1 
HETATM 2441 O O    . HOH C 3 .   ? -1.68624 5.12246  1.67963   1.000 27.13778 ? 235 HOH A O    1 
HETATM 2442 O O    . HOH C 3 .   ? -0.54516 10.83688 12.41450  1.000 16.13955 ? 236 HOH A O    1 
HETATM 2443 O O    . HOH C 3 .   ? -2.809   21.284   5.588     1.000 13.53690 ? 237 HOH A O    1 
HETATM 2444 O O    . HOH C 3 .   ? 17.90606 -3.74122 1.57306   1.000 33.51818 ? 238 HOH A O    1 
HETATM 2445 O O    . HOH C 3 .   ? 9.95786  0.70160  19.69576  1.000 30.47043 ? 239 HOH A O    1 
HETATM 2446 O O    . HOH C 3 .   ? -5.60883 5.16458  11.54161  1.000 18.45036 ? 240 HOH A O    1 
HETATM 2447 O O    . HOH C 3 .   ? -3.00495 15.31495 11.88463  1.000 23.90300 ? 241 HOH A O    1 
HETATM 2448 O O    . HOH C 3 .   ? 22.13074 11.51004 -9.37641  1.000 17.90011 ? 242 HOH A O    1 
HETATM 2449 O O    . HOH C 3 .   ? 21.78573 7.89175  18.11807  1.000 12.51069 ? 243 HOH A O    1 
HETATM 2450 O O    . HOH C 3 .   ? -0.00000 0.00000  -0.21569  0.50  28.09117 ? 244 HOH A O    1 
HETATM 2451 O O    . HOH C 3 .   ? 16.02664 10.41777 21.18839  1.000 14.40360 ? 245 HOH A O    1 
HETATM 2452 O O    . HOH C 3 .   ? 16.11094 5.39039  -13.68549 1.000 21.76415 ? 246 HOH A O    1 
HETATM 2453 O O    . HOH C 3 .   ? 2.18457  -1.13545 -5.40521  1.000 30.74247 ? 247 HOH A O    1 
HETATM 2454 O O    . HOH C 3 .   ? 9.559    -8.501   -8.812    1.000 16.41665 ? 248 HOH A O    1 
HETATM 2455 O O    . HOH C 3 .   ? 11.380   -7.664   -11.826   1.000 15.47569 ? 249 HOH A O    1 
HETATM 2456 O O    . HOH C 3 .   ? -3.08571 5.01244  17.36871  1.000 14.71236 ? 250 HOH A O    1 
HETATM 2457 O O    . HOH C 3 .   ? 17.73065 15.62675 23.12991  1.000 30.51548 ? 251 HOH A O    1 
HETATM 2458 O O    . HOH C 3 .   ? 18.53360 -4.71789 19.73089  1.000 27.17484 ? 252 HOH A O    1 
HETATM 2459 O O    . HOH C 3 .   ? 23.45489 1.57328  -6.08495  1.000 24.78983 ? 253 HOH A O    1 
HETATM 2460 O O    . HOH C 3 .   ? 11.26369 18.52207 21.76699  1.000 24.53426 ? 254 HOH A O    1 
HETATM 2461 O O    . HOH C 3 .   ? 0.358    16.845   20.980    1.000 35.34541 ? 255 HOH A O    1 
HETATM 2462 O O    . HOH C 3 .   ? 6.80331  -5.13262 8.94810   1.000 21.74186 ? 256 HOH A O    1 
HETATM 2463 O O    . HOH C 3 .   ? 14.15436 -1.10694 -14.22947 1.000 20.29034 ? 257 HOH A O    1 
HETATM 2464 O O    . HOH C 3 .   ? 21.59304 13.39613 -0.34400  1.000 26.92905 ? 258 HOH A O    1 
HETATM 2465 O O    . HOH C 3 .   ? 3.955    -4.827   5.352     1.000 23.82883 ? 259 HOH A O    1 
HETATM 2466 O O    . HOH C 3 .   ? -3.25360 10.67865 13.72783  1.000 35.19470 ? 260 HOH A O    1 
HETATM 2467 O O    . HOH C 3 .   ? 16.50392 20.54093 0.21108   1.000 28.02289 ? 261 HOH A O    1 
HETATM 2468 O O    . HOH C 3 .   ? 10.48682 1.57501  -15.34203 1.000 32.91335 ? 262 HOH A O    1 
HETATM 2469 O O    . HOH C 3 .   ? 11.87775 -5.90711 -18.66339 1.000 27.17971 ? 263 HOH A O    1 
HETATM 2470 O O    . HOH C 3 .   ? 5.54440  14.83903 26.04451  1.000 28.97060 ? 264 HOH A O    1 
HETATM 2471 O O    . HOH C 3 .   ? 12.73388 -6.72315 12.30587  1.000 23.86936 ? 265 HOH A O    1 
HETATM 2472 O O    . HOH C 3 .   ? 16.03756 18.42515 2.50795   1.000 18.46767 ? 266 HOH A O    1 
HETATM 2473 O O    . HOH C 3 .   ? 9.300    -8.008   -6.058    1.000 15.37738 ? 267 HOH A O    1 
HETATM 2474 O O    . HOH C 3 .   ? 1.26202  0.09182  4.77699   1.000 25.00378 ? 268 HOH A O    1 
HETATM 2475 O O    . HOH C 3 .   ? 4.858    22.278   9.669     1.000 32.87871 ? 269 HOH A O    1 
HETATM 2476 O O    . HOH C 3 .   ? 1.235    -3.758   -0.727    1.000 24.86113 ? 270 HOH A O    1 
HETATM 2477 O O    . HOH C 3 .   ? 20.42255 13.62229 -9.67031  1.000 24.41137 ? 271 HOH A O    1 
HETATM 2478 O O    . HOH C 3 .   ? 27.01929 2.43811  12.67740  1.000 23.05144 ? 272 HOH A O    1 
HETATM 2479 O O    . HOH C 3 .   ? 16.02086 -0.61558 7.75639   1.000 34.31330 ? 273 HOH A O    1 
HETATM 2480 O O    . HOH C 3 .   ? 26.48789 1.38762  15.16644  1.000 14.51359 ? 274 HOH A O    1 
HETATM 2481 O O    . HOH C 3 .   ? -7.04768 9.21620  14.80834  1.000 37.86375 ? 275 HOH A O    1 
HETATM 2482 O O    . HOH C 3 .   ? 7.19963  14.04289 1.72649   1.000 21.41588 ? 276 HOH A O    1 
HETATM 2483 O O    . HOH C 3 .   ? 25.75102 1.29450  -2.26488  1.000 31.38708 ? 277 HOH A O    1 
HETATM 2484 O O    . HOH C 3 .   ? 10.94144 13.70119 -4.73468  1.000 28.80308 ? 278 HOH A O    1 
HETATM 2485 O O    . HOH C 3 .   ? 24.35653 -2.05120 16.48547  1.000 16.08396 ? 279 HOH A O    1 
HETATM 2486 O O    . HOH C 3 .   ? 2.50886  14.03762 19.67829  1.000 16.29134 ? 280 HOH A O    1 
HETATM 2487 O O    . HOH C 3 .   ? -1.40517 23.88802 5.71182   1.000 25.73127 ? 281 HOH A O    1 
HETATM 2488 O O    . HOH C 3 .   ? 14.00338 12.69762 -10.28969 1.000 33.44481 ? 282 HOH A O    1 
HETATM 2489 O O    . HOH C 3 .   ? -0.00000 0.00000  -5.52312  0.50  35.44721 ? 283 HOH A O    1 
HETATM 2490 O O    . HOH C 3 .   ? 15.19096 16.57336 20.31035  1.000 22.30377 ? 284 HOH A O    1 
HETATM 2491 O O    . HOH C 3 .   ? 18.70249 16.79025 -8.36642  1.000 37.97622 ? 285 HOH A O    1 
HETATM 2492 O O    . HOH C 3 .   ? 0.44357  3.27183  -4.88375  1.000 24.49519 ? 286 HOH A O    1 
HETATM 2493 O O    . HOH C 3 .   ? 18.105   18.124   3.717     1.000 27.19001 ? 287 HOH A O    1 
HETATM 2494 O O    . HOH C 3 .   ? 4.28430  12.76460 21.37219  1.000 34.35794 ? 288 HOH A O    1 
HETATM 2495 O O    . HOH C 3 .   ? 8.25319  19.78530 13.92321  1.000 16.26584 ? 289 HOH A O    1 
HETATM 2496 O O    . HOH C 3 .   ? 20.358   19.957   2.471     1.000 36.12332 ? 290 HOH A O    1 
HETATM 2497 O O    . HOH C 3 .   ? 6.34618  16.08070 0.23151   1.000 41.61733 ? 291 HOH A O    1 
HETATM 2498 O O    . HOH C 3 .   ? 8.21129  3.58601  19.69407  1.000 28.13004 ? 292 HOH A O    1 
HETATM 2499 O O    . HOH C 3 .   ? 12.77520 15.59875 -8.35789  1.000 40.14148 ? 293 HOH A O    1 
HETATM 2500 O O    . HOH C 3 .   ? 12.79975 -5.72801 5.89890   1.000 38.28374 ? 294 HOH A O    1 
HETATM 2501 O O    . HOH C 3 .   ? 2.90771  -1.32784 -18.88656 1.000 48.46489 ? 295 HOH A O    1 
HETATM 2502 O O    . HOH C 3 .   ? 15.95326 10.84498 -10.75591 1.000 32.30194 ? 296 HOH A O    1 
HETATM 2503 O O    . HOH C 3 .   ? 3.685    -1.549   -10.064   1.000 32.18378 ? 297 HOH A O    1 
HETATM 2504 O O    . HOH C 3 .   ? 16.39389 8.88822  22.93372  1.000 32.95340 ? 298 HOH A O    1 
HETATM 2505 O O    . HOH C 3 .   ? 1.18563  20.14257 15.83811  1.000 32.58634 ? 299 HOH A O    1 
HETATM 2506 O O    . HOH C 3 .   ? 9.66304  16.06491 26.61007  1.000 39.88831 ? 300 HOH A O    1 
HETATM 2507 O O    . HOH C 3 .   ? 16.55306 -2.77087 6.82884   1.000 34.96752 ? 301 HOH A O    1 
HETATM 2508 O O    . HOH C 3 .   ? 16.323   20.509   -7.179    1.000 36.96056 ? 302 HOH A O    1 
HETATM 2509 O O    . HOH C 3 .   ? 13.40807 8.91559  23.74944  1.000 32.93692 ? 303 HOH A O    1 
HETATM 2510 O O    . HOH C 3 .   ? 3.339    21.898   15.574    1.000 35.35495 ? 304 HOH A O    1 
HETATM 2511 O O    . HOH C 3 .   ? 14.14846 15.79045 25.01843  1.000 36.98805 ? 305 HOH A O    1 
HETATM 2512 O O    . HOH C 3 .   ? 28.09673 3.30043  18.67203  1.000 29.85077 ? 306 HOH A O    1 
HETATM 2513 O O    . HOH C 3 .   ? 0.76526  5.34008  -18.40967 1.000 41.40636 ? 307 HOH A O    1 
HETATM 2514 O O    . HOH C 3 .   ? 0.762    20.327   18.474    1.000 39.58457 ? 308 HOH A O    1 
HETATM 2515 O O    . HOH C 3 .   ? 23.00433 9.84450  9.66846   1.000 27.03909 ? 309 HOH A O    1 
HETATM 2516 O O    . HOH C 3 .   ? 22.948   19.901   -1.699    1.000 37.67647 ? 310 HOH A O    1 
HETATM 2517 O O    . HOH C 3 .   ? 26.236   7.277    -0.980    1.000 30.49529 ? 311 HOH A O    1 
HETATM 2518 O O    . HOH C 3 .   ? -4.94432 8.53217  10.86885  1.000 32.85215 ? 312 HOH A O    1 
HETATM 2519 O O    . HOH C 3 .   ? -6.18732 9.85862  12.67964  1.000 35.89998 ? 313 HOH A O    1 
HETATM 2520 O O    . HOH C 3 .   ? -4.542   11.435   10.023    1.000 37.66613 ? 314 HOH A O    1 
HETATM 2521 O O    . HOH C 3 .   ? 13.33293 3.80911  -14.45826 1.000 39.63832 ? 315 HOH A O    1 
HETATM 2522 O O    . HOH C 3 .   ? 24.202   15.558   -1.283    1.000 31.45170 ? 316 HOH A O    1 
HETATM 2523 O O    . HOH C 3 .   ? 19.02131 13.03032 -12.22051 1.000 32.62565 ? 317 HOH A O    1 
HETATM 2524 O O    . HOH D 3 .   ? 21.167   18.368   11.307    1.000 28.57813 ? 201 HOH B O    1 
HETATM 2525 O O    . HOH D 3 .   ? 21.78343 7.90346  6.85794   1.000 9.36256  ? 202 HOH B O    1 
HETATM 2526 O O    . HOH D 3 .   ? 20.42279 10.51790 8.42321   1.000 9.25512  ? 203 HOH B O    1 
HETATM 2527 O O    . HOH D 3 .   ? 23.820   14.128   25.366    1.000 34.75609 ? 204 HOH B O    1 
HETATM 2528 O O    . HOH D 3 .   ? 18.61999 20.11315 16.02804  1.000 25.87505 ? 205 HOH B O    1 
HETATM 2529 O O    . HOH D 3 .   ? 25.39477 3.92955  2.61501   1.000 18.97296 ? 206 HOH B O    1 
HETATM 2530 O O    . HOH D 3 .   ? 22.49763 17.18384 8.64636   1.000 22.09507 ? 207 HOH B O    1 
HETATM 2531 O O    . HOH D 3 .   ? 19.79982 -1.98421 1.02206   1.000 25.10271 ? 208 HOH B O    1 
HETATM 2532 O O    . HOH D 3 .   ? 23.88296 1.60243  7.04352   1.000 30.96243 ? 209 HOH B O    1 
HETATM 2533 O O    . HOH D 3 .   ? 17.73785 18.98668 12.49088  1.000 19.75908 ? 210 HOH B O    1 
HETATM 2534 O O    . HOH D 3 .   ? 24.80625 11.23985 10.36812  1.000 35.54162 ? 211 HOH B O    1 
HETATM 2535 O O    . HOH D 3 .   ? 26.602   12.587   24.947    1.000 37.14387 ? 212 HOH B O    1 
HETATM 2536 O O    . HOH D 3 .   ? 24.09338 7.93327  7.91469   1.000 25.45854 ? 213 HOH B O    1 
HETATM 2537 O O    . HOH D 3 .   ? 27.08018 10.04412 7.77369   1.000 43.01228 ? 214 HOH B O    1 
HETATM 2538 O O    . HOH D 3 .   ? 18.46971 21.00878 13.68417  1.000 29.52778 ? 215 HOH B 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   . VAL A 3   ? 0.39745 0.57445 0.15237 0.02453  0.04231  -0.01440 30  VAL A N   
2    C CA  . VAL A 3   ? 0.41292 0.61774 0.19071 0.02789  0.02586  -0.02360 30  VAL A CA  
3    C C   . VAL A 3   ? 0.35485 0.55460 0.15853 0.02505  0.02402  -0.01865 30  VAL A C   
4    O O   . VAL A 3   ? 0.31298 0.50785 0.13481 0.01539  0.03279  -0.02125 30  VAL A O   
5    C CB  . VAL A 3   ? 0.36188 0.59182 0.15745 0.01978  0.02396  -0.04596 30  VAL A CB  
6    C CG1 . VAL A 3   ? 0.43990 0.69603 0.26029 0.01973  0.00991  -0.05691 30  VAL A CG1 
7    C CG2 . VAL A 3   ? 0.42742 0.66113 0.19481 0.02097  0.02647  -0.05206 30  VAL A CG2 
17   N N   . LYS A 4   ? 0.37994 0.58300 0.18648 0.03385  0.01323  -0.01168 31  LYS A N   
18   C CA  . LYS A 4   ? 0.35435 0.55006 0.18177 0.03157  0.01140  -0.00674 31  LYS A CA  
19   C C   . LYS A 4   ? 0.40506 0.62874 0.26446 0.02808  0.00159  -0.02296 31  LYS A C   
20   O O   . LYS A 4   ? 0.37371 0.62283 0.23761 0.03050  -0.00662 -0.03483 31  LYS A O   
21   C CB  . LYS A 4   ? 0.41882 0.59448 0.22959 0.04302  0.00919  0.01114  31  LYS A CB  
24   N N   . PHE A 5   ? 0.32947 0.54762 0.21053 0.02068  0.00397  -0.02425 32  PHE A N   
25   C CA  . PHE A 5   ? 0.29486 0.52951 0.20407 0.01687  -0.00260 -0.03766 32  PHE A CA  
26   C C   . PHE A 5   ? 0.19498 0.41309 0.10943 0.01912  -0.00451 -0.02469 32  PHE A C   
27   O O   . PHE A 5   ? 0.19257 0.38828 0.09809 0.01604  0.00301  -0.01142 32  PHE A O   
28   C CB  . PHE A 5   ? 0.21347 0.45340 0.14430 0.00518  0.00489  -0.05435 32  PHE A CB  
29   C CG  . PHE A 5   ? 0.27986 0.52666 0.20449 0.00102  0.01166  -0.06619 32  PHE A CG  
30   C CD1 . PHE A 5   ? 0.22524 0.46163 0.13144 0.00152  0.02046  -0.05745 32  PHE A CD1 
31   C CD2 . PHE A 5   ? 0.33525 0.59495 0.27269 -0.00529 0.01179  -0.08692 32  PHE A CD2 
32   C CE1 . PHE A 5   ? 0.27818 0.51796 0.17730 -0.00195 0.02811  -0.06806 32  PHE A CE1 
33   C CE2 . PHE A 5   ? 0.30665 0.56745 0.23592 -0.01007 0.01992  -0.09792 32  PHE A CE2 
34   C CZ  . PHE A 5   ? 0.27487 0.52631 0.18449 -0.00743 0.02766  -0.08836 32  PHE A CZ  
44   N N   . SER A 6   ? 0.21246 0.44018 0.14174 0.02240  -0.01271 -0.02916 33  SER A N   
45   C CA  . SER A 6   ? 0.22726 0.43817 0.16303 0.02327  -0.01404 -0.01923 33  SER A CA  
46   C C   . SER A 6   ? 0.15743 0.38002 0.12208 0.01693  -0.01788 -0.03569 33  SER A C   
47   O O   . SER A 6   ? 0.20521 0.44805 0.18150 0.01577  -0.02047 -0.05125 33  SER A O   
48   C CB  . SER A 6   ? 0.33143 0.53289 0.25190 0.03718  -0.01769 -0.00384 33  SER A CB  
49   O OG  . SER A 6   ? 0.43296 0.60499 0.34899 0.03648  -0.01374 0.01040  33  SER A OG  
55   N N   . TYR A 7   ? 0.11826 0.32308 0.09556 0.01136  -0.01601 -0.03192 34  TYR A N   
56   C CA  . TYR A 7   ? 0.09889 0.30322 0.10510 0.00528  -0.01634 -0.04579 34  TYR A CA  
57   C C   . TYR A 7   ? 0.08735 0.26520 0.10105 0.00526  -0.01624 -0.03300 34  TYR A C   
58   O O   . TYR A 7   ? 0.08865 0.24540 0.09362 0.00294  -0.01206 -0.01836 34  TYR A O   
59   C CB  . TYR A 7   ? 0.09315 0.29457 0.11396 -0.00299 -0.00687 -0.05799 34  TYR A CB  
60   C CG  . TYR A 7   ? 0.08133 0.27432 0.12693 -0.00818 -0.00258 -0.07146 34  TYR A CG  
61   C CD1 . TYR A 7   ? 0.10583 0.30949 0.15722 -0.01131 -0.00306 -0.08910 34  TYR A CD1 
62   C CD2 . TYR A 7   ? 0.09629 0.26634 0.15484 -0.00940 0.00394  -0.06481 34  TYR A CD2 
63   C CE1 . TYR A 7   ? 0.14685 0.33236 0.21448 -0.01687 0.00490  -0.10063 34  TYR A CE1 
64   C CE2 . TYR A 7   ? 0.13536 0.28842 0.20928 -0.01176 0.01023  -0.07400 34  TYR A CE2 
65   C CZ  . TYR A 7   ? 0.14369 0.30169 0.22146 -0.01636 0.01137  -0.09225 34  TYR A CZ  
66   O OH  . TYR A 7   ? 0.17024 0.30456 0.25996 -0.02028 0.02017  -0.10081 34  TYR A OH  
76   N N   . MET A 8   ? 0.07863 0.25874 0.10783 0.00601  -0.01985 -0.03997 35  MET A N   
77   C CA  . MET A 8   ? 0.06905 0.22221 0.10608 0.00507  -0.01834 -0.03061 35  MET A CA  
78   C C   . MET A 8   ? 0.07852 0.22003 0.13782 -0.00210 -0.01265 -0.04381 35  MET A C   
79   O O   . MET A 8   ? 0.09695 0.24499 0.16242 -0.00421 -0.01057 -0.05905 35  MET A O   
80   C CB  . MET A 8   ? 0.07492 0.23151 0.10644 0.01475  -0.02380 -0.02335 35  MET A CB  
81   C CG  . MET A 8   ? 0.08445 0.21097 0.12247 0.01324  -0.02047 -0.01522 35  MET A CG  
82   S SD  . MET A 8   ? 0.15612 0.28776 0.19193 0.02674  -0.02383 -0.00767 35  MET A SD  
83   C CE  . MET A 8   ? 0.21409 0.36891 0.27763 0.01941  -0.02458 -0.03243 35  MET A CE  
93   N N   . TRP A 9   ? 0.05699 0.17705 0.12274 -0.00565 -0.00827 -0.03682 36  TRP A N   
94   C CA  . TRP A 9   ? 0.08810 0.18879 0.16749 -0.00871 -0.00076 -0.04439 36  TRP A CA  
95   C C   . TRP A 9   ? 0.07692 0.15477 0.16031 -0.00909 -0.00061 -0.03565 36  TRP A C   
96   O O   . TRP A 9   ? 0.08222 0.14737 0.15655 -0.01002 -0.00228 -0.02110 36  TRP A O   
97   C CB  . TRP A 9   ? 0.10539 0.20412 0.18829 -0.00909 0.00530  -0.04271 36  TRP A CB  
98   C CG  . TRP A 9   ? 0.14849 0.22897 0.24231 -0.00822 0.01486  -0.04960 36  TRP A CG  
99   C CD1 . TRP A 9   ? 0.13274 0.19928 0.23269 -0.01079 0.02046  -0.06220 36  TRP A CD1 
100  C CD2 . TRP A 9   ? 0.12560 0.19991 0.22398 -0.00359 0.02174  -0.04395 36  TRP A CD2 
101  N NE1 . TRP A 9   ? 0.15074 0.19604 0.25523 -0.00908 0.03107  -0.06277 36  TRP A NE1 
102  C CE2 . TRP A 9   ? 0.14078 0.19133 0.24351 -0.00187 0.03170  -0.05092 36  TRP A CE2 
103  C CE3 . TRP A 9   ? 0.09309 0.18058 0.19087 -0.00070 0.02056  -0.03263 36  TRP A CE3 
104  C CZ2 . TRP A 9   ? 0.21821 0.25645 0.32070 0.00631  0.03984  -0.04399 36  TRP A CZ2 
105  C CZ3 . TRP A 9   ? 0.11203 0.19514 0.21602 0.00754  0.02820  -0.02796 36  TRP A CZ3 
106  C CH2 . TRP A 9   ? 0.08115 0.13849 0.18575 0.01299  0.03775  -0.03288 36  TRP A CH2 
117  N N   . THR A 10  ? 0.07438 0.14066 0.16418 -0.00955 0.00290  -0.04389 37  THR A N   
118  C CA  . THR A 10  ? 0.05490 0.09556 0.14737 -0.00987 0.00540  -0.03678 37  THR A CA  
119  C C   . THR A 10  ? 0.13178 0.15130 0.23037 -0.00955 0.01564  -0.04225 37  THR A C   
120  O O   . THR A 10  ? 0.17102 0.19349 0.27512 -0.01091 0.02275  -0.05457 37  THR A O   
121  C CB  . THR A 10  ? 0.12053 0.16370 0.21688 -0.00864 0.00422  -0.04052 37  THR A CB  
122  O OG1 . THR A 10  ? 0.12282 0.18636 0.21386 -0.00368 -0.00405 -0.03241 37  THR A OG1 
123  C CG2 . THR A 10  ? 0.11245 0.12558 0.20859 -0.00826 0.00928  -0.03298 37  THR A CG2 
131  N N   . ILE A 11  ? 0.06332 0.06734 0.15728 -0.00769 0.01641  -0.02911 38  ILE A N   
132  C CA  . ILE A 11  ? 0.05005 0.04437 0.14153 -0.00582 0.02379  -0.02495 38  ILE A CA  
133  C C   . ILE A 11  ? 0.07788 0.06195 0.15182 -0.00490 0.02224  -0.01701 38  ILE A C   
134  O O   . ILE A 11  ? 0.10359 0.08117 0.16418 -0.00433 0.01646  -0.00847 38  ILE A O   
135  C CB  . ILE A 11  ? 0.08973 0.07837 0.18184 -0.00199 0.02364  -0.01692 38  ILE A CB  
136  C CG1 . ILE A 11  ? 0.16567 0.17739 0.26693 0.00004  0.02352  -0.02258 38  ILE A CG1 
137  C CG2 . ILE A 11  ? 0.16955 0.14569 0.25122 0.00246  0.03035  -0.01266 38  ILE A CG2 
138  C CD1 . ILE A 11  ? 0.17536 0.20004 0.27477 0.00516  0.02107  -0.01048 38  ILE A CD1 
150  N N   . ASN A 12  ? 0.12097 0.16722 0.33931 0.02180  0.02832  0.07143  39  ASN A N   
151  C CA  . ASN A 12  ? 0.10765 0.16865 0.34171 0.02493  0.04388  0.07569  39  ASN A CA  
152  C C   . ASN A 12  ? 0.11406 0.17549 0.32603 0.02331  0.05614  0.07768  39  ASN A C   
153  O O   . ASN A 12  ? 0.11387 0.16629 0.31115 0.01826  0.05117  0.08050  39  ASN A O   
154  C CB  . ASN A 12  ? 0.13934 0.21278 0.40328 0.01960  0.04078  0.08162  39  ASN A CB  
155  C CG  . ASN A 12  ? 0.13076 0.20718 0.40877 0.02095  0.02578  0.07821  39  ASN A CG  
156  O OD1 . ASN A 12  ? 0.14748 0.22963 0.43459 0.02740  0.02797  0.07742  39  ASN A OD1 
157  N ND2 . ASN A 12  ? 0.22882 0.30340 0.50753 0.01565  0.00979  0.07507  39  ASN A ND2 
164  N N   . ASN A 13  ? 0.12329 0.19802 0.33305 0.02884  0.07194  0.07515  40  ASN A N   
165  C CA  . ASN A 13  ? 0.16410 0.24970 0.35160 0.02819  0.08423  0.07895  40  ASN A CA  
166  C C   . ASN A 13  ? 0.18250 0.25390 0.33585 0.02802  0.07720  0.07166  40  ASN A C   
167  O O   . ASN A 13  ? 0.15462 0.22971 0.29172 0.02534  0.07746  0.08086  40  ASN A O   
168  C CB  . ASN A 13  ? 0.21878 0.31256 0.41959 0.02089  0.08644  0.09812  40  ASN A CB  
169  C CG  . ASN A 13  ? 0.17071 0.27113 0.40207 0.01908  0.08664  0.10044  40  ASN A CG  
170  O OD1 . ASN A 13  ? 0.25087 0.36562 0.48638 0.02372  0.09747  0.09457  40  ASN A OD1 
171  N ND2 . ASN A 13  ? 0.17440 0.26591 0.42903 0.01244  0.07436  0.10576  40  ASN A ND2 
178  N N   . PHE A 14  ? 0.13177 0.18775 0.27806 0.03104  0.07084  0.05691  41  PHE A N   
179  C CA  . PHE A 14  ? 0.13026 0.17252 0.25204 0.02910  0.06261  0.04974  41  PHE A CA  
180  C C   . PHE A 14  ? 0.15904 0.21524 0.25502 0.03111  0.06970  0.04379  41  PHE A C   
181  O O   . PHE A 14  ? 0.20965 0.26275 0.28870 0.02885  0.06226  0.04547  41  PHE A O   
182  C CB  . PHE A 14  ? 0.16710 0.19215 0.29027 0.03101  0.05777  0.03741  41  PHE A CB  
183  C CG  . PHE A 14  ? 0.17364 0.18660 0.27747 0.02757  0.05053  0.03019  41  PHE A CG  
184  C CD1 . PHE A 14  ? 0.15211 0.15552 0.25470 0.02273  0.03958  0.03592  41  PHE A CD1 
185  C CD2 . PHE A 14  ? 0.22875 0.24404 0.31855 0.02900  0.05518  0.01497  41  PHE A CD2 
186  C CE1 . PHE A 14  ? 0.22333 0.21891 0.31185 0.01973  0.03454  0.02853  41  PHE A CE1 
187  C CE2 . PHE A 14  ? 0.26889 0.27650 0.34595 0.02525  0.04845  0.00783  41  PHE A CE2 
188  C CZ  . PHE A 14  ? 0.13262 0.13024 0.20978 0.02089  0.03893  0.01579  41  PHE A CZ  
198  N N   . SER A 15  ? 0.17088 0.24612 0.26378 0.03601  0.08339  0.03503  42  SER A N   
199  C CA  . SER A 15  ? 0.27096 0.36609 0.33466 0.03804  0.08819  0.02682  42  SER A CA  
200  C C   . SER A 15  ? 0.34741 0.45734 0.39724 0.03581  0.08728  0.05098  42  SER A C   
201  O O   . SER A 15  ? 0.41674 0.54257 0.43935 0.03754  0.08525  0.04982  42  SER A O   
202  C CB  . SER A 15  ? 0.36081 0.47926 0.42283 0.04388  0.10441  0.00899  42  SER A CB  
203  O OG  . SER A 15  ? 0.32119 0.46654 0.38212 0.04467  0.11728  0.02513  42  SER A OG  
209  N N   . PHE A 16  ? 0.19632 0.30187 0.26769 0.03199  0.08762  0.07357  43  PHE A N   
210  C CA  . PHE A 16  ? 0.18981 0.30608 0.25647 0.02968  0.08833  0.10020  43  PHE A CA  
211  C C   . PHE A 16  ? 0.17848 0.27111 0.25480 0.02579  0.07235  0.11027  43  PHE A C   
212  O O   . PHE A 16  ? 0.18883 0.28392 0.27343 0.02374  0.07209  0.13517  43  PHE A O   
213  C CB  . PHE A 16  ? 0.25059 0.38056 0.34178 0.02677  0.10205  0.11984  43  PHE A CB  
214  C CG  . PHE A 16  ? 0.39545 0.55204 0.47813 0.03111  0.11890  0.10834  43  PHE A CG  
215  C CD1 . PHE A 16  ? 0.47278 0.65253 0.54018 0.03049  0.12812  0.12090  43  PHE A CD1 
216  C CD2 . PHE A 16  ? 0.38432 0.53893 0.47711 0.03561  0.12319  0.08311  43  PHE A CD2 
217  C CE1 . PHE A 16  ? 0.53286 0.73692 0.59249 0.03312  0.14316  0.10587  43  PHE A CE1 
218  C CE2 . PHE A 16  ? 0.36648 0.54309 0.45599 0.03942  0.13738  0.06757  43  PHE A CE2 
219  C CZ  . PHE A 16  ? 0.53914 0.74149 0.61137 0.03744  0.14780  0.07753  43  PHE A CZ  
229  N N   . CYS A 17  ? 0.16114 0.23211 0.23892 0.02492  0.06039  0.09241  44  CYS A N   
230  C CA  . CYS A 17  ? 0.15954 0.21259 0.24738 0.02196  0.04730  0.09825  44  CYS A CA  
231  C C   . CYS A 17  ? 0.16941 0.23245 0.24189 0.02533  0.04354  0.11163  44  CYS A C   
232  O O   . CYS A 17  ? 0.22478 0.30280 0.26963 0.02982  0.04298  0.10202  44  CYS A O   
233  C CB  . CYS A 17  ? 0.13862 0.17279 0.22583 0.02055  0.03699  0.07776  44  CYS A CB  
234  S SG  . CYS A 17  ? 0.20473 0.22877 0.30414 0.01870  0.03756  0.06518  44  CYS A SG  
240  N N   . ARG A 18  ? 0.17434 0.22942 0.26927 0.02331  0.03982  0.13303  45  ARG A N   
241  C CA  . ARG A 18  ? 0.19139 0.25178 0.28222 0.02761  0.03370  0.15192  45  ARG A CA  
242  C C   . ARG A 18  ? 0.18242 0.22846 0.27613 0.02953  0.01925  0.13665  45  ARG A C   
243  O O   . ARG A 18  ? 0.21638 0.26902 0.30720 0.03510  0.01195  0.14928  45  ARG A O   
244  C CB  . ARG A 18  ? 0.32020 0.37514 0.44441 0.02365  0.03476  0.17063  45  ARG A CB  
245  C CG  . ARG A 18  ? 0.30618 0.33633 0.46567 0.01797  0.02523  0.15539  45  ARG A CG  
246  C CD  . ARG A 18  ? 0.42334 0.45082 0.61875 0.01169  0.02892  0.15900  45  ARG A CD  
247  N NE  . ARG A 18  ? 0.53329 0.56754 0.74513 0.01264  0.03164  0.18205  45  ARG A NE  
248  C CZ  . ARG A 18  ? 0.54120 0.59391 0.74361 0.01462  0.04215  0.20364  45  ARG A CZ  
249  N NH1 . ARG A 18  ? 0.50970 0.57710 0.68721 0.01578  0.05175  0.20266  45  ARG A NH1 
250  N NH2 . ARG A 18  ? 0.55123 0.60878 0.77101 0.01543  0.04404  0.22654  45  ARG A NH2 
264  N N   . GLU A 19  ? 0.15899 0.18843 0.25968 0.02551  0.01534  0.11173  46  GLU A N   
265  C CA  . GLU A 19  ? 0.15038 0.16787 0.25950 0.02625  0.00433  0.09804  46  GLU A CA  
266  C C   . GLU A 19  ? 0.15730 0.19088 0.24196 0.03201  -0.00069 0.09150  46  GLU A C   
267  O O   . GLU A 19  ? 0.16944 0.21638 0.22876 0.03241  0.00363  0.07945  46  GLU A O   
268  C CB  . GLU A 19  ? 0.13401 0.13790 0.24716 0.02075  0.00337  0.07424  46  GLU A CB  
269  C CG  . GLU A 19  ? 0.12587 0.11579 0.26945 0.01538  0.00165  0.07424  46  GLU A CG  
270  C CD  . GLU A 19  ? 0.26254 0.25602 0.41595 0.01211  0.00907  0.08655  46  GLU A CD  
271  O OE1 . GLU A 19  ? 0.17939 0.18490 0.31319 0.01400  0.01714  0.09016  46  GLU A OE1 
272  O OE2 . GLU A 19  ? 0.22333 0.21363 0.40393 0.00681  0.00703  0.08593  46  GLU A OE2 
279  N N   . GLU A 20  ? 0.16387 0.19773 0.26071 0.03679  -0.01030 0.09797  47  GLU A N   
280  C CA  A GLU A 20  ? 0.17018 0.22250 0.24965 0.04228  -0.01806 0.08957  47  GLU A CA  
281  C CA  B GLU A 20  ? 0.17020 0.22250 0.24981 0.04230  -0.01812 0.08963  47  GLU A CA  
282  C C   . GLU A 20  ? 0.15504 0.19775 0.24161 0.03850  -0.02140 0.06092  47  GLU A C   
283  O O   . GLU A 20  ? 0.13780 0.16160 0.23917 0.03286  -0.01827 0.05062  47  GLU A O   
284  C CB  A GLU A 20  ? 0.22148 0.28338 0.31329 0.05120  -0.02784 0.11438  47  GLU A CB  
285  C CB  B GLU A 20  ? 0.22120 0.28260 0.31386 0.05120  -0.02809 0.11384  47  GLU A CB  
286  C CG  A GLU A 20  ? 0.29406 0.38181 0.37037 0.05827  -0.03917 0.10752  47  GLU A CG  
287  C CG  B GLU A 20  ? 0.23711 0.31147 0.32243 0.05521  -0.02386 0.14965  47  GLU A CG  
288  C CD  A GLU A 20  ? 0.38513 0.49904 0.42209 0.05711  -0.03550 0.09354  47  GLU A CD  
289  C CD  B GLU A 20  ? 0.29713 0.40567 0.33881 0.05811  -0.02059 0.15037  47  GLU A CD  
290  O OE1 A GLU A 20  ? 0.41503 0.54239 0.43078 0.05782  -0.02744 0.10876  47  GLU A OE1 
291  O OE1 B GLU A 20  ? 0.33312 0.45263 0.35468 0.05665  -0.02244 0.12064  47  GLU A OE1 
292  O OE2 A GLU A 20  ? 0.19825 0.31972 0.22927 0.05482  -0.03932 0.06524  47  GLU A OE2 
293  O OE2 B GLU A 20  ? 0.33493 0.46038 0.36433 0.06083  -0.01505 0.17830  47  GLU A OE2 
304  N N   . MET A 21  ? 0.15466 0.21457 0.23031 0.04118  -0.02750 0.04785  48  MET A N   
305  C CA  A MET A 21  ? 0.14451 0.19900 0.23030 0.03693  -0.02891 0.02304  48  MET A CA  
306  C CA  B MET A 21  ? 0.14462 0.19904 0.23032 0.03690  -0.02884 0.02303  48  MET A CA  
307  C C   . MET A 21  ? 0.13313 0.17149 0.24957 0.03734  -0.03161 0.02316  48  MET A C   
308  O O   . MET A 21  ? 0.14299 0.18151 0.27968 0.04453  -0.03885 0.03899  48  MET A O   
309  C CB  A MET A 21  ? 0.16697 0.24642 0.24733 0.04074  -0.03782 0.01208  48  MET A CB  
310  C CB  B MET A 21  ? 0.16712 0.24669 0.24672 0.04061  -0.03759 0.01189  48  MET A CB  
311  C CG  A MET A 21  ? 0.15677 0.23461 0.25195 0.03537  -0.03755 -0.01255 48  MET A CG  
312  C CG  B MET A 21  ? 0.15739 0.23535 0.25109 0.03510  -0.03715 -0.01281 48  MET A CG  
313  S SD  A MET A 21  ? 0.18617 0.29793 0.28685 0.04130  -0.05193 -0.02274 48  MET A SD  
314  S SD  B MET A 21  ? 0.13476 0.21249 0.26364 0.04159  -0.04620 -0.01017 48  MET A SD  
315  C CE  A MET A 21  ? 0.20355 0.31435 0.33716 0.05225  -0.06294 -0.00562 48  MET A CE  
316  C CE  B MET A 21  ? 0.20681 0.31914 0.33620 0.05293  -0.06342 -0.00261 48  MET A CE  
335  N N   . GLY A 22  ? 0.18178 0.13487 0.25357 0.00804  0.00237  0.02961  49  GLY A N   
336  C CA  . GLY A 22  ? 0.18792 0.12753 0.25934 0.00812  -0.00562 0.01685  49  GLY A CA  
337  C C   . GLY A 22  ? 0.24224 0.17767 0.32698 -0.00487 -0.00851 0.02030  49  GLY A C   
338  O O   . GLY A 22  ? 0.26425 0.19583 0.35341 -0.00156 -0.01281 0.00671  49  GLY A O   
342  N N   . GLU A 23  ? 0.15103 0.09971 0.23518 -0.02220 -0.00519 0.03682  50  GLU A N   
343  C CA  . GLU A 23  ? 0.13708 0.09306 0.22727 -0.03972 -0.00740 0.03975  50  GLU A CA  
344  C C   . GLU A 23  ? 0.11778 0.10942 0.21283 -0.03271 0.00524  0.02664  50  GLU A C   
345  O O   . GLU A 23  ? 0.14500 0.15812 0.23638 -0.01919 0.01518  0.02148  50  GLU A O   
346  C CB  . GLU A 23  ? 0.19365 0.16146 0.27205 -0.06163 -0.00844 0.06069  50  GLU A CB  
347  C CG  . GLU A 23  ? 0.25362 0.18376 0.32104 -0.06487 -0.02445 0.06824  50  GLU A CG  
348  C CD  . GLU A 23  ? 0.43123 0.37113 0.48710 -0.08687 -0.02763 0.08791  50  GLU A CD  
349  O OE1 . GLU A 23  ? 0.35502 0.33309 0.40272 -0.09425 -0.01615 0.09625  50  GLU A OE1 
350  O OE2 . GLU A 23  ? 0.66381 0.57680 0.71939 -0.09577 -0.04244 0.09363  50  GLU A OE2 
357  N N   . VAL A 24  ? 0.14580 0.13954 0.25016 -0.04095 0.00180  0.02030  51  VAL A N   
358  C CA  . VAL A 24  ? 0.11593 0.13594 0.22513 -0.03172 0.00952  0.00599  51  VAL A CA  
359  C C   . VAL A 24  ? 0.11957 0.16702 0.23507 -0.04809 0.01121  0.00850  51  VAL A C   
360  O O   . VAL A 24  ? 0.12461 0.16227 0.24435 -0.06839 0.00351  0.01771  51  VAL A O   
361  C CB  . VAL A 24  ? 0.19257 0.19342 0.30759 -0.01987 0.00359  -0.01127 51  VAL A CB  
362  C CG1 . VAL A 24  ? 0.30814 0.29635 0.43371 -0.03141 -0.00732 -0.01722 51  VAL A CG1 
363  C CG2 . VAL A 24  ? 0.30129 0.32719 0.41413 -0.00629 0.01220  -0.02185 51  VAL A CG2 
373  N N   . ILE A 25  ? 0.07267 0.15514 0.18962 -0.03987 0.01974  0.00092  52  ILE A N   
374  C CA  . ILE A 25  ? 0.07366 0.18546 0.19738 -0.04915 0.02036  -0.00214 52  ILE A CA  
375  C C   . ILE A 25  ? 0.12744 0.23851 0.25203 -0.03548 0.01817  -0.01709 52  ILE A C   
376  O O   . ILE A 25  ? 0.05435 0.16029 0.16734 -0.01730 0.01996  -0.02045 52  ILE A O   
377  C CB  . ILE A 25  ? 0.08584 0.22205 0.20002 -0.04202 0.02623  0.00073  52  ILE A CB  
378  C CG1 . ILE A 25  ? 0.16132 0.30140 0.26815 -0.05363 0.02929  0.01218  52  ILE A CG1 
379  C CG2 . ILE A 25  ? 0.09502 0.25174 0.21279 -0.04597 0.02485  -0.00506 52  ILE A CG2 
380  C CD1 . ILE A 25  ? 0.18626 0.35083 0.28230 -0.04359 0.03343  0.00818  52  ILE A CD1 
392  N N   . LYS A 26  ? 0.09193 0.20563 0.22558 -0.04528 0.01263  -0.02364 53  LYS A N   
393  C CA  . LYS A 26  ? 0.06887 0.18426 0.20233 -0.03438 0.00973  -0.03811 53  LYS A CA  
394  C C   . LYS A 26  ? 0.07110 0.21105 0.20163 -0.03460 0.00964  -0.03959 53  LYS A C   
395  O O   . LYS A 26  ? 0.08311 0.23518 0.22117 -0.04926 0.00842  -0.03493 53  LYS A O   
396  C CB  . LYS A 26  ? 0.08326 0.17623 0.22879 -0.04059 0.00016  -0.04968 53  LYS A CB  
399  N N   . SER A 27  ? 0.06408 0.20863 0.18346 -0.01962 0.00943  -0.04516 54  SER A N   
400  C CA  . SER A 27  ? 0.06822 0.23222 0.18591 -0.01764 0.00732  -0.04918 54  SER A CA  
401  C C   . SER A 27  ? 0.07730 0.24902 0.20454 -0.02500 0.00214  -0.06050 54  SER A C   
402  O O   . SER A 27  ? 0.08156 0.24090 0.21561 -0.02933 -0.00129 -0.06771 54  SER A O   
403  C CB  . SER A 27  ? 0.06343 0.22447 0.16641 -0.00194 0.00528  -0.04917 54  SER A CB  
404  O OG  . SER A 27  ? 0.06371 0.22101 0.16174 0.00244  0.00179  -0.05554 54  SER A OG  
410  N N   . SER A 28  ? 0.08331 0.27502 0.21180 -0.02528 0.00019  -0.06445 55  SER A N   
411  C CA  . SER A 28  ? 0.12491 0.32514 0.25851 -0.02769 -0.00548 -0.07649 55  SER A CA  
412  C C   . SER A 28  ? 0.08842 0.28504 0.20943 -0.01421 -0.00807 -0.08327 55  SER A C   
413  O O   . SER A 28  ? 0.07957 0.26838 0.18798 -0.00406 -0.00642 -0.07651 55  SER A O   
414  C CB  . SER A 28  ? 0.13909 0.36400 0.27662 -0.02960 -0.00675 -0.07924 55  SER A CB  
415  O OG  . SER A 28  ? 0.13538 0.36873 0.28383 -0.04461 -0.00397 -0.07220 55  SER A OG  
421  N N   . THR A 29  ? 0.09697 0.30005 0.22094 -0.01543 -0.01299 -0.09605 56  THR A N   
422  C CA  . THR A 29  ? 0.09660 0.30387 0.20655 -0.00461 -0.01503 -0.10160 56  THR A CA  
423  C C   . THR A 29  ? 0.11254 0.33677 0.21225 0.00361  -0.01862 -0.09877 56  THR A C   
424  O O   . THR A 29  ? 0.11845 0.35442 0.22463 0.00207  -0.02053 -0.09950 56  THR A O   
425  C CB  . THR A 29  ? 0.14762 0.35829 0.26271 -0.00668 -0.01906 -0.11849 56  THR A CB  
426  O OG1 . THR A 29  ? 0.20113 0.42748 0.32224 -0.00999 -0.02362 -0.12567 56  THR A OG1 
427  C CG2 . THR A 29  ? 0.16744 0.35636 0.29762 -0.01462 -0.02035 -0.12345 56  THR A CG2 
435  N N   . PHE A 30  ? 0.09944 0.32684 0.18406 0.01197  -0.02064 -0.09524 57  PHE A N   
436  C CA  . PHE A 30  ? 0.12097 0.36225 0.19706 0.01967  -0.02735 -0.09094 57  PHE A CA  
437  C C   . PHE A 30  ? 0.19076 0.44533 0.25257 0.02208  -0.03039 -0.09237 57  PHE A C   
438  O O   . PHE A 30  ? 0.11412 0.36805 0.17097 0.01980  -0.02581 -0.09579 57  PHE A O   
439  C CB  . PHE A 30  ? 0.11730 0.34763 0.18994 0.02712  -0.02960 -0.07711 57  PHE A CB  
440  C CG  . PHE A 30  ? 0.09553 0.31107 0.15971 0.02920  -0.02719 -0.06654 57  PHE A CG  
441  C CD1 . PHE A 30  ? 0.08363 0.28140 0.15270 0.02563  -0.01948 -0.06403 57  PHE A CD1 
442  C CD2 . PHE A 30  ? 0.12707 0.34549 0.17780 0.03377  -0.03405 -0.05617 57  PHE A CD2 
443  C CE1 . PHE A 30  ? 0.07766 0.26173 0.14018 0.02808  -0.01724 -0.05452 57  PHE A CE1 
444  C CE2 . PHE A 30  ? 0.09904 0.30594 0.14295 0.03433  -0.03250 -0.04519 57  PHE A CE2 
445  C CZ  . PHE A 30  ? 0.08827 0.27889 0.13947 0.03251  -0.02325 -0.04587 57  PHE A CZ  
455  N N   . SER A 31  ? 0.13546 0.40424 0.19064 0.02631  -0.03843 -0.09008 58  SER A N   
456  C CA  . SER A 31  ? 0.14725 0.43392 0.18795 0.02596  -0.04161 -0.09132 58  SER A CA  
457  C C   . SER A 31  ? 0.26771 0.55621 0.29578 0.03103  -0.05393 -0.07626 58  SER A C   
458  O O   . SER A 31  ? 0.23035 0.50686 0.26507 0.03686  -0.06064 -0.06953 58  SER A O   
459  C CB  . SER A 31  ? 0.24544 0.54808 0.29505 0.02283  -0.04036 -0.11095 58  SER A CB  
460  O OG  . SER A 31  ? 0.30089 0.60508 0.36336 0.02345  -0.04459 -0.11543 58  SER A OG  
466  N N   . SER A 32  ? 0.33528 0.42127 0.27361 0.07555  -0.07881 -0.04439 59  SER A N   
467  C CA  . SER A 32  ? 0.40680 0.47859 0.32490 0.08868  -0.09259 -0.04015 59  SER A CA  
468  C C   . SER A 32  ? 0.47184 0.56013 0.40460 0.09074  -0.11087 -0.04221 59  SER A C   
469  O O   . SER A 32  ? 0.58573 0.66729 0.51810 0.10066  -0.12074 -0.03917 59  SER A O   
470  C CB  . SER A 32  ? 0.47121 0.50158 0.33997 0.08465  -0.08969 -0.03596 59  SER A CB  
471  O OG  . SER A 32  ? 0.55096 0.57605 0.40119 0.07575  -0.09679 -0.04102 59  SER A OG  
477  N N   . GLY A 33  ? 0.43683 0.54351 0.38456 0.07981  -0.11472 -0.04705 60  GLY A N   
478  C CA  . GLY A 33  ? 0.51359 0.62907 0.46946 0.07847  -0.13102 -0.04807 60  GLY A CA  
479  C C   . GLY A 33  ? 0.62143 0.70404 0.53530 0.07651  -0.14201 -0.04623 60  GLY A C   
480  O O   . GLY A 33  ? 0.58971 0.67702 0.50663 0.07452  -0.15702 -0.04713 60  GLY A O   
484  N N   . ALA A 34  ? 0.64098 0.69139 0.51509 0.07542  -0.13344 -0.04363 61  ALA A N   
485  C CA  . ALA A 34  ? 0.58191 0.60011 0.41069 0.07039  -0.13855 -0.04129 61  ALA A CA  
486  C C   . ALA A 34  ? 0.51868 0.53137 0.33320 0.05759  -0.12999 -0.04966 61  ALA A C   
487  O O   . ALA A 34  ? 0.67782 0.71106 0.52102 0.05262  -0.12643 -0.05656 61  ALA A O   
488  C CB  . ALA A 34  ? 0.64597 0.63314 0.44052 0.07416  -0.13168 -0.03245 61  ALA A CB  
494  N N   . ASN A 35  ? 0.48884 0.47404 0.26028 0.05114  -0.12594 -0.04954 62  ASN A N   
495  C CA  . ASN A 35  ? 0.58874 0.56804 0.34560 0.04005  -0.11988 -0.06002 62  ASN A CA  
496  C C   . ASN A 35  ? 0.51138 0.48322 0.26147 0.03516  -0.09639 -0.06641 62  ASN A C   
497  O O   . ASN A 35  ? 0.52190 0.48753 0.25980 0.02682  -0.08885 -0.07699 62  ASN A O   
498  C CB  . ASN A 35  ? 0.65615 0.61592 0.37231 0.03500  -0.12730 -0.05848 62  ASN A CB  
499  C CG  . ASN A 35  ? 0.77416 0.71190 0.45028 0.03005  -0.11059 -0.05424 62  ASN A CG  
500  O OD1 . ASN A 35  ? 0.82829 0.76125 0.50582 0.03306  -0.09880 -0.04760 62  ASN A OD1 
501  N ND2 . ASN A 35  ? 0.65148 0.57836 0.29308 0.02157  -0.10916 -0.05824 62  ASN A ND2 
508  N N   . ASP A 36  ? 0.41596 0.38992 0.17741 0.04057  -0.08458 -0.06165 63  ASP A N   
509  C CA  . ASP A 36  ? 0.47280 0.43966 0.23017 0.03550  -0.06120 -0.06733 63  ASP A CA  
510  C C   . ASP A 36  ? 0.41454 0.39528 0.20476 0.03287  -0.05648 -0.07942 63  ASP A C   
511  O O   . ASP A 36  ? 0.38821 0.36342 0.18065 0.02807  -0.03875 -0.08687 63  ASP A O   
512  C CB  . ASP A 36  ? 0.42503 0.38697 0.18331 0.04133  -0.05040 -0.05737 63  ASP A CB  
513  C CG  . ASP A 36  ? 0.42000 0.39975 0.20920 0.05244  -0.06207 -0.05137 63  ASP A CG  
514  O OD1 . ASP A 36  ? 0.38012 0.38021 0.20870 0.05131  -0.05676 -0.05516 63  ASP A OD1 
515  O OD2 . ASP A 36  ? 0.55266 0.52774 0.33282 0.06014  -0.07633 -0.04229 63  ASP A OD2 
520  N N   . LYS A 37  ? 0.33532 0.33507 0.15487 0.03431  -0.07229 -0.08075 64  LYS A N   
521  C CA  . LYS A 37  ? 0.30394 0.31429 0.15531 0.02813  -0.07269 -0.08945 64  LYS A CA  
522  C C   . LYS A 37  ? 0.26979 0.28519 0.14840 0.02800  -0.05646 -0.08624 64  LYS A C   
523  O O   . LYS A 37  ? 0.28350 0.30123 0.18563 0.02188  -0.05620 -0.09227 64  LYS A O   
524  C CB  . LYS A 37  ? 0.32673 0.32146 0.16553 0.02089  -0.06968 -0.10232 64  LYS A CB  
525  C CG  . LYS A 37  ? 0.49371 0.48132 0.30856 0.01755  -0.08315 -0.10431 64  LYS A CG  
526  C CD  . LYS A 37  ? 0.51061 0.51477 0.34691 0.01607  -0.10504 -0.09925 64  LYS A CD  
527  C CE  . LYS A 37  ? 0.58538 0.58313 0.41729 0.00847  -0.11701 -0.10757 64  LYS A CE  
528  N NZ  . LYS A 37  ? 0.62796 0.60837 0.41766 0.00847  -0.11454 -0.11188 64  LYS A NZ  
542  N N   . LEU A 38  ? 0.26118 0.27477 0.13571 0.03418  -0.04496 -0.07708 65  LEU A N   
543  C CA  . LEU A 38  ? 0.23108 0.24833 0.13013 0.03422  -0.03106 -0.07434 65  LEU A CA  
544  C C   . LEU A 38  ? 0.21886 0.25959 0.15286 0.03322  -0.03812 -0.06733 65  LEU A C   
545  O O   . LEU A 38  ? 0.23976 0.29648 0.17878 0.03809  -0.04759 -0.06090 65  LEU A O   
546  C CB  . LEU A 38  ? 0.23388 0.24068 0.11726 0.04043  -0.01809 -0.06667 65  LEU A CB  
547  C CG  . LEU A 38  ? 0.28076 0.26716 0.12792 0.03822  -0.00702 -0.07113 65  LEU A CG  
548  C CD1 . LEU A 38  ? 0.34356 0.32080 0.18333 0.04164  0.00470  -0.06092 65  LEU A CD1 
549  C CD2 . LEU A 38  ? 0.28637 0.26921 0.14330 0.03075  0.00376  -0.08399 65  LEU A CD2 
561  N N   . LYS A 39  ? 0.18147 0.22498 0.13949 0.02676  -0.03358 -0.06907 66  LYS A N   
562  C CA  . LYS A 39  ? 0.15748 0.22298 0.14460 0.02239  -0.03698 -0.06179 66  LYS A CA  
563  C C   . LYS A 39  ? 0.13892 0.19912 0.13637 0.02384  -0.02335 -0.05847 66  LYS A C   
564  O O   . LYS A 39  ? 0.13982 0.18108 0.13491 0.02237  -0.01639 -0.06455 66  LYS A O   
565  C CB  . LYS A 39  ? 0.16715 0.23880 0.17122 0.00865  -0.04957 -0.06443 66  LYS A CB  
566  C CG  . LYS A 39  ? 0.22151 0.29984 0.21925 0.00548  -0.06574 -0.06807 66  LYS A CG  
567  C CD  . LYS A 39  ? 0.34644 0.44144 0.36811 -0.01027 -0.07963 -0.06545 66  LYS A CD  
568  C CE  . LYS A 39  ? 0.59280 0.66405 0.61530 -0.02105 -0.08854 -0.07304 66  LYS A CE  
569  N NZ  . LYS A 39  ? 0.62565 0.67431 0.64812 -0.01874 -0.07795 -0.07663 66  LYS A NZ  
583  N N   . TRP A 40  ? 0.12190 0.20034 0.13188 0.02762  -0.02042 -0.05065 67  TRP A N   
584  C CA  . TRP A 40  ? 0.10539 0.18026 0.12371 0.02998  -0.00913 -0.04696 67  TRP A CA  
585  C C   . TRP A 40  ? 0.08960 0.18797 0.12973 0.02180  -0.01146 -0.04164 67  TRP A C   
586  O O   . TRP A 40  ? 0.08972 0.21344 0.13979 0.01694  -0.01938 -0.04003 67  TRP A O   
587  C CB  . TRP A 40  ? 0.10666 0.17893 0.11421 0.04359  -0.00261 -0.04352 67  TRP A CB  
588  C CG  . TRP A 40  ? 0.12741 0.17870 0.10933 0.04884  -0.00044 -0.04556 67  TRP A CG  
589  C CD1 . TRP A 40  ? 0.17001 0.22042 0.13366 0.05297  -0.00949 -0.04548 67  TRP A CD1 
590  C CD2 . TRP A 40  ? 0.13389 0.16210 0.10289 0.04896  0.01149  -0.04783 67  TRP A CD2 
591  N NE1 . TRP A 40  ? 0.25687 0.28324 0.19255 0.05426  -0.00337 -0.04625 67  TRP A NE1 
592  C CE2 . TRP A 40  ? 0.17949 0.19433 0.11945 0.05138  0.01084  -0.04812 67  TRP A CE2 
593  C CE3 . TRP A 40  ? 0.12183 0.13866 0.10272 0.04336  0.02135  -0.04677 67  TRP A CE3 
594  C CZ2 . TRP A 40  ? 0.21297 0.20841 0.13458 0.04875  0.02290  -0.04971 67  TRP A CZ2 
595  C CZ3 . TRP A 40  ? 0.14136 0.13957 0.11213 0.03838  0.03131  -0.04599 67  TRP A CZ3 
596  C CH2 . TRP A 40  ? 0.16724 0.15849 0.11094 0.04037  0.03299  -0.04859 67  TRP A CH2 
607  N N   . CYS A 41  ? 0.07819 0.16991 0.12529 0.01936  -0.00431 -0.03894 68  CYS A N   
608  C CA  . CYS A 41  ? 0.06703 0.18249 0.12814 0.01296  -0.00334 -0.03319 68  CYS A CA  
609  C C   . CYS A 41  ? 0.06651 0.17143 0.12688 0.01894  0.00640  -0.03141 68  CYS A C   
610  O O   . CYS A 41  ? 0.07417 0.15341 0.12687 0.02574  0.01143  -0.03415 68  CYS A O   
611  C CB  . CYS A 41  ? 0.07561 0.19520 0.14602 -0.00681 -0.01199 -0.02957 68  CYS A CB  
612  S SG  . CYS A 41  ? 0.14187 0.22710 0.21196 -0.01561 -0.01471 -0.02893 68  CYS A SG  
618  N N   . LEU A 42  ? 0.05147 0.17730 0.11920 0.01542  0.00929  -0.02739 69  LEU A N   
619  C CA  . LEU A 42  ? 0.05059 0.15730 0.11133 0.01816  0.01535  -0.02363 69  LEU A CA  
620  C C   . LEU A 42  ? 0.05413 0.16562 0.12358 0.00277  0.01353  -0.02084 69  LEU A C   
621  O O   . LEU A 42  ? 0.05471 0.18048 0.12813 -0.01333 0.00725  -0.01656 69  LEU A O   
622  C CB  . LEU A 42  ? 0.05658 0.16949 0.11168 0.02365  0.01733  -0.02170 69  LEU A CB  
623  C CG  . LEU A 42  ? 0.06652 0.17560 0.11565 0.03484  0.01482  -0.02385 69  LEU A CG  
624  C CD1 . LEU A 42  ? 0.08243 0.19812 0.13093 0.04035  0.01500  -0.02503 69  LEU A CD1 
625  C CD2 . LEU A 42  ? 0.10508 0.18365 0.14433 0.03929  0.01615  -0.02246 69  LEU A CD2 
637  N N   . ARG A 43  ? 0.04537 0.13408 0.11182 0.00498  0.01611  -0.02020 70  ARG A N   
638  C CA  . ARG A 43  ? 0.05195 0.13037 0.11747 -0.01019 0.01061  -0.01413 70  ARG A CA  
639  C C   . ARG A 43  ? 0.04882 0.12781 0.10976 -0.00361 0.01761  -0.01371 70  ARG A C   
640  O O   . ARG A 43  ? 0.07143 0.13652 0.13224 0.01164  0.02284  -0.01851 70  ARG A O   
641  C CB  . ARG A 43  ? 0.09709 0.13999 0.16559 -0.01449 0.00112  -0.01576 70  ARG A CB  
642  C CG  . ARG A 43  ? 0.22849 0.26920 0.30044 -0.02068 -0.00750 -0.01836 70  ARG A CG  
643  C CD  . ARG A 43  ? 0.28549 0.29587 0.36198 -0.03144 -0.02272 -0.01871 70  ARG A CD  
644  N NE  . ARG A 43  ? 0.27181 0.25879 0.35190 -0.01766 -0.01966 -0.02731 70  ARG A NE  
645  C CZ  . ARG A 43  ? 0.23504 0.20915 0.31188 -0.01204 -0.02352 -0.03077 70  ARG A CZ  
646  N NH1 . ARG A 43  ? 0.31305 0.28226 0.38640 -0.01915 -0.03316 -0.03024 70  ARG A NH1 
647  N NH2 . ARG A 43  ? 0.19749 0.17122 0.27558 -0.00173 -0.01714 -0.03380 70  ARG A NH2 
661  N N   . VAL A 44  ? 0.05612 0.15105 0.11153 -0.01604 0.01773  -0.00813 71  VAL A N   
662  C CA  A VAL A 44  ? 0.05762 0.15178 0.10556 -0.01099 0.02311  -0.00875 71  VAL A CA  
663  C CA  B VAL A 44  ? 0.05765 0.15215 0.10558 -0.01108 0.02314  -0.00873 71  VAL A CA  
664  C C   . VAL A 44  ? 0.09385 0.16890 0.13153 -0.02949 0.01404  -0.00011 71  VAL A C   
665  O O   . VAL A 44  ? 0.08724 0.16726 0.12051 -0.04996 0.00684  0.00807  71  VAL A O   
666  C CB  A VAL A 44  ? 0.13335 0.25515 0.17561 -0.00513 0.03019  -0.01180 71  VAL A CB  
667  C CB  B VAL A 44  ? 0.13168 0.25443 0.17423 -0.00555 0.03005  -0.01170 71  VAL A CB  
668  C CG1 A VAL A 44  ? 0.13002 0.24497 0.17452 0.00984  0.02935  -0.01595 71  VAL A CG1 
669  C CG1 B VAL A 44  ? 0.14031 0.29004 0.18089 -0.02394 0.02859  -0.00699 71  VAL A CG1 
670  C CG2 A VAL A 44  ? 0.14185 0.29027 0.17928 -0.02501 0.02950  -0.00653 71  VAL A CG2 
671  C CG2 B VAL A 44  ? 0.13689 0.25458 0.16992 -0.00001 0.03365  -0.01393 71  VAL A CG2 
690  N N   . ASN A 45  ? 0.07623 0.12648 0.10935 -0.02311 0.01226  -0.00125 72  ASN A N   
691  C CA  . ASN A 45  ? 0.09611 0.12930 0.11511 -0.03888 0.00290  0.00681  72  ASN A CA  
692  C C   . ASN A 45  ? 0.10193 0.15719 0.10675 -0.03664 0.01285  0.00487  72  ASN A C   
693  O O   . ASN A 45  ? 0.09489 0.14148 0.10127 -0.01943 0.01711  -0.00253 72  ASN A O   
694  C CB  . ASN A 45  ? 0.09862 0.08881 0.12350 -0.03391 -0.00890 0.00561  72  ASN A CB  
695  C CG  . ASN A 45  ? 0.19250 0.16362 0.23462 -0.03166 -0.01682 0.00226  72  ASN A CG  
696  O OD1 . ASN A 45  ? 0.16963 0.14151 0.22516 -0.01567 -0.00882 -0.00674 72  ASN A OD1 
697  N ND2 . ASN A 45  ? 0.19420 0.15141 0.22914 -0.04059 -0.02848 0.00703  72  ASN A ND2 
704  N N   . PRO A 46  ? 0.09932 0.15175 0.11533 -0.00767 0.00457  0.02422  73  PRO A N   
705  C CA  . PRO A 46  ? 0.09060 0.18381 0.10720 -0.00223 0.01060  0.02161  73  PRO A CA  
706  C C   . PRO A 46  ? 0.11657 0.20784 0.11338 0.00487  0.01442  0.03012  73  PRO A C   
707  O O   . PRO A 46  ? 0.15055 0.26262 0.14085 0.01715  0.01359  0.01873  73  PRO A O   
708  C CB  . PRO A 46  ? 0.11424 0.24546 0.15162 -0.02246 0.02070  0.02872  73  PRO A CB  
709  C CG  . PRO A 46  ? 0.16599 0.27480 0.22144 -0.03690 0.01284  0.02751  73  PRO A CG  
710  C CD  . PRO A 46  ? 0.11770 0.16954 0.15350 -0.02789 0.00438  0.02982  73  PRO A CD  
718  N N   . LYS A 47  ? 0.10500 0.17011 0.09335 0.00057  0.01400  0.04629  74  LYS A N   
719  C CA  . LYS A 47  ? 0.11055 0.17663 0.08205 0.00963  0.01194  0.05253  74  LYS A CA  
720  C C   . LYS A 47  ? 0.12333 0.16349 0.09836 0.01952  0.00425  0.04722  74  LYS A C   
721  O O   . LYS A 47  ? 0.15233 0.18723 0.12339 0.02620  -0.00214 0.05487  74  LYS A O   
722  C CB  . LYS A 47  ? 0.14504 0.21000 0.10280 -0.00100 0.01394  0.07500  74  LYS A CB  
723  C CG  . LYS A 47  ? 0.27152 0.37618 0.22594 -0.01098 0.02538  0.07256  74  LYS A CG  
724  C CD  . LYS A 47  ? 0.40128 0.50383 0.32937 -0.01601 0.02588  0.08692  74  LYS A CD  
725  C CE  . LYS A 47  ? 0.53871 0.64764 0.46257 -0.04048 0.03755  0.10439  74  LYS A CE  
726  N NZ  . LYS A 47  ? 0.58207 0.74002 0.49427 -0.04319 0.05031  0.09727  74  LYS A NZ  
740  N N   . GLY A 48  ? 0.11244 0.14157 0.09446 0.02028  0.00445  0.03385  75  GLY A N   
741  C CA  . GLY A 48  ? 0.09292 0.11377 0.07879 0.02501  0.00396  0.02500  75  GLY A CA  
742  C C   . GLY A 48  ? 0.10069 0.10500 0.09751 0.02892  0.00311  0.02276  75  GLY A C   
743  O O   . GLY A 48  ? 0.11970 0.10674 0.12036 0.02934  -0.00267 0.03262  75  GLY A O   
747  N N   . LEU A 49  ? 0.11885 0.12762 0.11939 0.03115  0.00850  0.00850  76  LEU A N   
748  C CA  . LEU A 49  ? 0.13122 0.13221 0.14464 0.04099  0.00803  -0.00421 76  LEU A CA  
749  C C   . LEU A 49  ? 0.12759 0.13276 0.16288 0.05763  -0.00170 -0.00415 76  LEU A C   
750  O O   . LEU A 49  ? 0.15484 0.13653 0.20175 0.07114  -0.01229 -0.00964 76  LEU A O   
751  C CB  . LEU A 49  ? 0.11912 0.13942 0.12705 0.03761  0.02142  -0.02157 76  LEU A CB  
752  C CG  . LEU A 49  ? 0.14078 0.16577 0.16033 0.05098  0.02462  -0.04500 76  LEU A CG  
753  C CD1 . LEU A 49  ? 0.19373 0.18438 0.20083 0.05170  0.01626  -0.05081 76  LEU A CD1 
754  C CD2 . LEU A 49  ? 0.25799 0.32076 0.26981 0.04332  0.04458  -0.06006 76  LEU A CD2 
766  N N   . ASP A 50  ? 0.12563 0.15740 0.16783 0.05911  -0.00292 -0.00100 77  ASP A N   
767  C CA  . ASP A 50  ? 0.12654 0.17302 0.19349 0.07830  -0.01569 -0.00638 77  ASP A CA  
768  C C   . ASP A 50  ? 0.14378 0.21237 0.20735 0.07497  -0.02244 0.00239  77  ASP A C   
769  O O   . ASP A 50  ? 0.10173 0.17148 0.14506 0.05949  -0.01621 0.00927  77  ASP A O   
770  C CB  . ASP A 50  ? 0.12632 0.20943 0.22434 0.08668  -0.00638 -0.03443 77  ASP A CB  
771  C CG  . ASP A 50  ? 0.13997 0.26098 0.23664 0.06451  0.01519  -0.04222 77  ASP A CG  
772  O OD1 . ASP A 50  ? 0.15304 0.27103 0.23375 0.04773  0.01486  -0.02847 77  ASP A OD1 
773  O OD2 . ASP A 50  ? 0.15366 0.29630 0.25616 0.05867  0.03064  -0.05824 77  ASP A OD2 
778  N N   . GLU A 51  ? 0.13265 0.21388 0.21449 0.08822  -0.03732 -0.00103 78  GLU A N   
779  C CA  . GLU A 51  ? 0.13485 0.23202 0.20952 0.08476  -0.04784 0.00417  78  GLU A CA  
780  C C   . GLU A 51  ? 0.10658 0.23796 0.19086 0.06950  -0.03752 -0.00922 78  GLU A C   
781  O O   . GLU A 51  ? 0.11792 0.24845 0.18134 0.06221  -0.04233 -0.00459 78  GLU A O   
782  C CB  . GLU A 51  ? 0.16374 0.27175 0.25989 0.09967  -0.06437 -0.00136 78  GLU A CB  
783  C CG  . GLU A 51  ? 0.27705 0.39848 0.36303 0.09910  -0.07975 0.00262  78  GLU A CG  
784  C CD  . GLU A 51  ? 0.35060 0.43988 0.39198 0.09691  -0.08944 0.02855  78  GLU A CD  
785  O OE1 . GLU A 51  ? 0.30843 0.36330 0.33191 0.09484  -0.08674 0.04700  78  GLU A OE1 
786  O OE2 . GLU A 51  ? 0.48986 0.59011 0.51372 0.09495  -0.09959 0.02971  78  GLU A OE2 
793  N N   . GLU A 52  ? 0.09401 0.25381 0.20734 0.06125  -0.02275 -0.02641 79  GLU A N   
794  C CA  . GLU A 52  ? 0.08137 0.26575 0.20313 0.03648  -0.01220 -0.03434 79  GLU A CA  
795  C C   . GLU A 52  ? 0.10085 0.24244 0.18025 0.02189  -0.00772 -0.02063 79  GLU A C   
796  O O   . GLU A 52  ? 0.08933 0.22623 0.16233 0.00725  -0.01291 -0.02262 79  GLU A O   
797  C CB  . GLU A 52  ? 0.13369 0.34571 0.27673 0.02178  0.01025  -0.04717 79  GLU A CB  
798  C CG  . GLU A 52  ? 0.24838 0.47726 0.39526 -0.01473 0.02318  -0.04838 79  GLU A CG  
799  C CD  . GLU A 52  ? 0.40217 0.65537 0.55751 -0.03047 0.04563  -0.05541 79  GLU A CD  
800  O OE1 . GLU A 52  ? 0.45906 0.73914 0.63459 -0.05368 0.05049  -0.05920 79  GLU A OE1 
801  O OE2 . GLU A 52  ? 0.40336 0.64956 0.54379 -0.02033 0.05720  -0.05788 79  GLU A OE2 
808  N N   . SER A 53  ? 0.08015 0.19010 0.13459 0.02737  -0.00203 -0.01013 80  SER A N   
809  C CA  . SER A 53  ? 0.08132 0.15987 0.10434 0.01791  0.00042  -0.00212 80  SER A CA  
810  C C   . SER A 53  ? 0.08155 0.14838 0.08596 0.02897  -0.00759 0.00715  80  SER A C   
811  O O   . SER A 53  ? 0.14655 0.19738 0.13424 0.02652  -0.00497 0.01021  80  SER A O   
812  C CB  . SER A 53  ? 0.11501 0.17632 0.12485 0.01090  0.01301  -0.00067 80  SER A CB  
813  O OG  . SER A 53  ? 0.13816 0.19833 0.15564 0.02350  0.01541  -0.00232 80  SER A OG  
819  N N   . LYS A 54  ? 0.08877 0.16856 0.09447 0.04026  -0.01788 0.01141  81  LYS A N   
820  C CA  . LYS A 54  ? 0.11652 0.19136 0.09838 0.04495  -0.02009 0.02483  81  LYS A CA  
821  C C   . LYS A 54  ? 0.15197 0.23297 0.11757 0.04193  -0.01827 0.01645  81  LYS A C   
822  O O   . LYS A 54  ? 0.16153 0.24702 0.11522 0.04017  -0.01173 0.02210  81  LYS A O   
823  C CB  . LYS A 54  ? 0.17042 0.24769 0.14573 0.05186  -0.03156 0.03190  81  LYS A CB  
824  C CG  . LYS A 54  ? 0.22002 0.31679 0.19966 0.05446  -0.04233 0.01717  81  LYS A CG  
825  C CD  . LYS A 54  ? 0.42841 0.52582 0.39174 0.06094  -0.05618 0.02446  81  LYS A CD  
826  C CE  . LYS A 54  ? 0.44584 0.51951 0.40323 0.06549  -0.06324 0.04541  81  LYS A CE  
827  N NZ  . LYS A 54  ? 0.73947 0.80591 0.66640 0.06782  -0.07887 0.05928  81  LYS A NZ  
841  N N   . ASP A 55  ? 0.12339 0.20552 0.09313 0.04053  -0.02507 0.00049  82  ASP A N   
842  C CA  . ASP A 55  ? 0.11762 0.19795 0.07584 0.04409  -0.02856 -0.01392 82  ASP A CA  
843  C C   . ASP A 55  ? 0.12042 0.18088 0.07734 0.04312  -0.02726 -0.01769 82  ASP A C   
844  O O   . ASP A 55  ? 0.12184 0.17779 0.07455 0.05202  -0.03465 -0.03350 82  ASP A O   
845  C CB  . ASP A 55  ? 0.15280 0.23102 0.11497 0.04328  -0.04385 -0.03128 82  ASP A CB  
846  C CG  . ASP A 55  ? 0.28323 0.38112 0.24439 0.04729  -0.04834 -0.03108 82  ASP A CG  
847  O OD1 . ASP A 55  ? 0.28464 0.39384 0.22995 0.05312  -0.04105 -0.02134 82  ASP A OD1 
848  O OD2 . ASP A 55  ? 0.37079 0.47391 0.34756 0.04222  -0.06085 -0.04032 82  ASP A OD2 
853  N N   . TYR A 56  ? 0.11237 0.15856 0.07508 0.03468  -0.01870 -0.00574 83  TYR A N   
854  C CA  . TYR A 56  ? 0.10233 0.12306 0.05982 0.03206  -0.02074 -0.00695 83  TYR A CA  
855  C C   . TYR A 56  ? 0.10091 0.12873 0.06177 0.03223  -0.01249 0.00035  83  TYR A C   
856  O O   . TYR A 56  ? 0.10613 0.14406 0.07378 0.02870  -0.00405 0.00995  83  TYR A O   
857  C CB  . TYR A 56  ? 0.11488 0.10947 0.06809 0.01618  -0.01985 -0.00164 83  TYR A CB  
858  C CG  . TYR A 56  ? 0.13708 0.11707 0.09035 0.00755  -0.03052 -0.00802 83  TYR A CG  
859  C CD1 . TYR A 56  ? 0.14065 0.14624 0.11193 0.00327  -0.03007 -0.01289 83  TYR A CD1 
860  C CD2 . TYR A 56  ? 0.17490 0.11077 0.11125 0.00376  -0.04616 -0.00988 83  TYR A CD2 
861  C CE1 . TYR A 56  ? 0.15493 0.14753 0.13144 -0.00858 -0.04299 -0.02203 83  TYR A CE1 
862  C CE2 . TYR A 56  ? 0.20800 0.11902 0.14552 -0.00899 -0.05993 -0.01573 83  TYR A CE2 
863  C CZ  . TYR A 56  ? 0.19496 0.13778 0.15479 -0.01656 -0.05714 -0.02317 83  TYR A CZ  
864  O OH  . TYR A 56  ? 0.24329 0.16430 0.21016 -0.03271 -0.07303 -0.03216 83  TYR A OH  
874  N N   . LEU A 57  ? 0.10297 0.11996 0.06013 0.03681  -0.01988 -0.00548 84  LEU A N   
875  C CA  . LEU A 57  ? 0.09673 0.11188 0.05672 0.03306  -0.01754 -0.00183 84  LEU A CA  
876  C C   . LEU A 57  ? 0.13592 0.12061 0.07741 0.02377  -0.01715 0.00375  84  LEU A C   
877  O O   . LEU A 57  ? 0.13830 0.09697 0.06082 0.02026  -0.02453 0.00553  84  LEU A O   
878  C CB  . LEU A 57  ? 0.12550 0.15022 0.09238 0.04511  -0.03022 -0.01423 84  LEU A CB  
879  C CG  . LEU A 57  ? 0.24169 0.27550 0.21934 0.04182  -0.03268 -0.01595 84  LEU A CG  
880  C CD1 . LEU A 57  ? 0.25450 0.33810 0.26275 0.05051  -0.03399 -0.03029 84  LEU A CD1 
881  C CD2 . LEU A 57  ? 0.27890 0.27455 0.23111 0.04558  -0.04992 -0.01650 84  LEU A CD2 
893  N N   . SER A 58  ? 0.05832 0.14066 0.07850 -0.01612 -0.02868 -0.00240 85  SER A N   
894  C CA  . SER A 58  ? 0.04821 0.13388 0.08346 -0.01642 -0.02343 -0.00005 85  SER A CA  
895  C C   . SER A 58  ? 0.06336 0.15064 0.09396 -0.01053 -0.01139 -0.00137 85  SER A C   
896  O O   . SER A 58  ? 0.08765 0.17752 0.11235 -0.00698 -0.00675 -0.00100 85  SER A O   
897  C CB  . SER A 58  ? 0.06303 0.15275 0.11086 -0.01791 -0.02627 0.00431  85  SER A CB  
898  O OG  . SER A 58  ? 0.06698 0.15541 0.11516 -0.02295 -0.03933 0.00479  85  SER A OG  
904  N N   . LEU A 59  ? 0.03362 0.11722 0.06543 -0.01023 -0.00964 -0.00296 86  LEU A N   
905  C CA  . LEU A 59  ? 0.04533 0.12557 0.07066 -0.00584 -0.00424 -0.00523 86  LEU A CA  
906  C C   . LEU A 59  ? 0.06191 0.13886 0.09194 -0.00681 -0.00381 -0.00400 86  LEU A C   
907  O O   . LEU A 59  ? 0.02929 0.10680 0.06589 -0.01009 -0.00568 -0.00318 86  LEU A O   
908  C CB  . LEU A 59  ? 0.04356 0.12323 0.06487 -0.00346 -0.00360 -0.00957 86  LEU A CB  
909  C CG  . LEU A 59  ? 0.05870 0.13464 0.07875 0.00016  -0.00178 -0.01086 86  LEU A CG  
910  C CD1 . LEU A 59  ? 0.08430 0.16103 0.10518 0.00244  -0.00064 -0.00811 86  LEU A CD1 
911  C CD2 . LEU A 59  ? 0.09093 0.16801 0.11215 0.00383  -0.00230 -0.01467 86  LEU A CD2 
923  N N   . TYR A 60  ? 0.02559 0.09998 0.05401 -0.00458 -0.00210 -0.00350 87  TYR A N   
924  C CA  . TYR A 60  ? 0.03102 0.10409 0.06427 -0.00498 -0.00134 -0.00283 87  TYR A CA  
925  C C   . TYR A 60  ? 0.03256 0.10077 0.06057 -0.00294 -0.00053 -0.00439 87  TYR A C   
926  O O   . TYR A 60  ? 0.04855 0.11532 0.07442 -0.00126 -0.00083 -0.00422 87  TYR A O   
927  C CB  . TYR A 60  ? 0.07791 0.15439 0.12123 -0.00498 -0.00141 -0.00033 87  TYR A CB  
928  C CG  . TYR A 60  ? 0.05626 0.13930 0.11179 -0.00759 -0.00387 0.00205  87  TYR A CG  
929  C CD1 . TYR A 60  ? 0.05416 0.14332 0.12545 -0.01020 -0.00394 0.00304  87  TYR A CD1 
930  C CD2 . TYR A 60  ? 0.05997 0.14491 0.11397 -0.00813 -0.00662 0.00328  87  TYR A CD2 
931  C CE1 . TYR A 60  ? 0.04170 0.13941 0.12719 -0.01370 -0.00842 0.00447  87  TYR A CE1 
932  C CE2 . TYR A 60  ? 0.07684 0.16799 0.14300 -0.01137 -0.01172 0.00521  87  TYR A CE2 
933  C CZ  . TYR A 60  ? 0.06277 0.16037 0.14430 -0.01429 -0.01356 0.00562  87  TYR A CZ  
934  O OH  . TYR A 60  ? 0.08694 0.19306 0.18032 -0.01886 -0.02105 0.00823  87  TYR A OH  
944  N N   . LEU A 61  ? 0.04083 0.10825 0.07030 -0.00371 0.00029  -0.00491 88  LEU A N   
945  C CA  . LEU A 61  ? 0.03444 0.09856 0.06156 -0.00256 0.00028  -0.00591 88  LEU A CA  
946  C C   . LEU A 61  ? 0.05569 0.12145 0.08799 -0.00204 0.00168  -0.00548 88  LEU A C   
947  O O   . LEU A 61  ? 0.03954 0.10989 0.08005 -0.00285 0.00476  -0.00438 88  LEU A O   
948  C CB  . LEU A 61  ? 0.02995 0.09362 0.05573 -0.00404 0.00062  -0.00661 88  LEU A CB  
949  C CG  . LEU A 61  ? 0.06438 0.12618 0.08898 -0.00361 -0.00001 -0.00722 88  LEU A CG  
950  C CD1 . LEU A 61  ? 0.07631 0.13454 0.10368 -0.00130 -0.00374 -0.00652 88  LEU A CD1 
951  C CD2 . LEU A 61  ? 0.09722 0.15993 0.12113 -0.00665 0.00064  -0.00689 88  LEU A CD2 
963  N N   . LEU A 62  ? 0.04657 0.10983 0.07891 -0.00060 0.00038  -0.00564 89  LEU A N   
964  C CA  . LEU A 62  ? 0.03937 0.10399 0.07775 0.00059  0.00159  -0.00577 89  LEU A CA  
965  C C   . LEU A 62  ? 0.06203 0.12505 0.09852 0.00126  0.00063  -0.00777 89  LEU A C   
966  O O   . LEU A 62  ? 0.05009 0.10951 0.08588 0.00084  -0.00419 -0.00711 89  LEU A O   
967  C CB  . LEU A 62  ? 0.06230 0.12615 0.10544 0.00128  -0.00022 -0.00392 89  LEU A CB  
968  C CG  . LEU A 62  ? 0.07081 0.13540 0.12215 0.00304  -0.00015 -0.00370 89  LEU A CG  
969  C CD1 . LEU A 62  ? 0.10009 0.17004 0.16136 0.00499  0.00520  -0.00285 89  LEU A CD1 
970  C CD2 . LEU A 62  ? 0.11864 0.18148 0.17546 0.00241  -0.00367 -0.00100 89  LEU A CD2 
982  N N   . LEU A 63  ? 0.04972 0.11572 0.08933 0.00295  0.00643  -0.00901 90  LEU A N   
983  C CA  . LEU A 63  ? 0.02969 0.10223 0.06394 0.00593  0.00729  -0.01600 90  LEU A CA  
984  C C   . LEU A 63  ? 0.07115 0.14649 0.11130 0.01072  0.00140  -0.02025 90  LEU A C   
985  O O   . LEU A 63  ? 0.09126 0.16225 0.13401 0.01540  0.01159  -0.01940 90  LEU A O   
986  C CB  . LEU A 63  ? 0.06660 0.12968 0.08101 0.00948  0.02649  -0.01950 90  LEU A CB  
987  C CG  . LEU A 63  ? 0.10593 0.12662 0.06799 0.01227  0.02527  -0.02676 90  LEU A CG  
988  C CD1 . LEU A 63  ? 0.13414 0.13505 0.07557 0.00500  0.00374  -0.02526 90  LEU A CD1 
989  C CD2 . LEU A 63  ? 0.16685 0.16892 0.10176 0.01598  0.04828  -0.02757 90  LEU A CD2 
1001 N N   . VAL A 64  ? 0.06318 0.12769 0.09960 0.00707  -0.01832 -0.01900 91  VAL A N   
1002 C CA  . VAL A 64  ? 0.05783 0.11069 0.09496 0.00734  -0.02891 -0.01812 91  VAL A CA  
1003 C C   . VAL A 64  ? 0.12203 0.12811 0.11322 0.01083  -0.03504 -0.02619 91  VAL A C   
1004 O O   . VAL A 64  ? 0.18085 0.16961 0.16332 0.01552  -0.03518 -0.02921 91  VAL A O   
1005 C CB  . VAL A 64  ? 0.11404 0.16405 0.15224 -0.00192 -0.03101 -0.00413 91  VAL A CB  
1006 C CG1 . VAL A 64  ? 0.15192 0.19173 0.19038 -0.00199 -0.03979 -0.00561 91  VAL A CG1 
1007 C CG2 . VAL A 64  ? 0.13619 0.19450 0.18503 -0.00174 -0.02084 0.00154  91  VAL A CG2 
1017 N N   . SER A 65  ? 0.13062 0.10565 0.08395 0.00802  -0.04020 -0.02826 92  SER A N   
1018 C CA  . SER A 65  ? 0.19441 0.11138 0.08884 0.01048  -0.04414 -0.03488 92  SER A CA  
1019 C C   . SER A 65  ? 0.24105 0.13559 0.09934 0.00986  -0.03314 -0.03504 92  SER A C   
1020 O O   . SER A 65  ? 0.20958 0.11749 0.08008 0.00354  -0.04045 -0.02948 92  SER A O   
1021 C CB  . SER A 65  ? 0.27703 0.17619 0.17417 0.00292  -0.06915 -0.02702 92  SER A CB  
1022 O OG  . SER A 65  ? 0.31241 0.15895 0.15913 0.00547  -0.07221 -0.02949 92  SER A OG  
1028 N N   . CYS A 66  ? 0.26909 0.13378 0.09129 0.01662  -0.01424 -0.03873 93  CYS A N   
1029 C CA  . CYS A 66  ? 0.30740 0.14625 0.09592 0.01450  -0.00781 -0.03580 93  CYS A CA  
1030 C C   . CYS A 66  ? 0.37225 0.16205 0.11448 0.01953  -0.00537 -0.03772 93  CYS A C   
1031 O O   . CYS A 66  ? 0.38196 0.16662 0.12298 0.02719  0.00220  -0.04224 93  CYS A O   
1032 C CB  . CYS A 66  ? 0.35214 0.21597 0.15226 0.01680  0.01987  -0.03495 93  CYS A CB  
1033 S SG  . CYS A 66  ? 0.35807 0.24334 0.17943 0.02833  0.05187  -0.03727 93  CYS A SG  
1039 N N   . PRO A 67  ? 0.42221 0.17193 0.12374 0.01590  -0.01250 -0.03416 94  PRO A N   
1040 C CA  . PRO A 67  ? 0.49414 0.18870 0.14353 0.02020  -0.01439 -0.03544 94  PRO A CA  
1041 C C   . PRO A 67  ? 0.53185 0.21274 0.15638 0.03044  0.01853  -0.03933 94  PRO A C   
1042 O O   . PRO A 67  ? 0.59741 0.23654 0.18222 0.03712  0.02122  -0.04206 94  PRO A O   
1043 C CB  . PRO A 67  ? 0.64658 0.30201 0.26315 0.01179  -0.03628 -0.02894 94  PRO A CB  
1044 C CG  . PRO A 67  ? 0.59762 0.28440 0.24029 0.00641  -0.03252 -0.02591 94  PRO A CG  
1045 C CD  . PRO A 67  ? 0.41982 0.16768 0.11980 0.00751  -0.02420 -0.02830 94  PRO A CD  
1053 N N   . LYS A 68  ? 0.50510 0.21925 0.15318 0.03191  0.04302  -0.03846 95  LYS A N   
1054 C CA  . LYS A 68  ? 0.53680 0.24745 0.17494 0.04158  0.07556  -0.03966 95  LYS A CA  
1055 C C   . LYS A 68  ? 0.61598 0.38755 0.31685 0.04655  0.09350  -0.03992 95  LYS A C   
1056 O O   . LYS A 68  ? 0.59173 0.38503 0.32218 0.04824  0.08366  -0.04272 95  LYS A O   
1057 C CB  . LYS A 68  ? 0.57403 0.26444 0.18303 0.03759  0.08678  -0.03546 95  LYS A CB  
1058 C CG  . LYS A 68  ? 0.66216 0.28019 0.19838 0.03783  0.07918  -0.03572 95  LYS A CG  
1059 C CD  . LYS A 68  ? 0.72251 0.30519 0.22398 0.05065  0.09486  -0.04026 95  LYS A CD  
1060 C CE  . LYS A 68  ? 0.87220 0.40835 0.31874 0.05587  0.11841  -0.03939 95  LYS A CE  
1061 N NZ  . LYS A 68  ? 0.88811 0.36532 0.27717 0.06677  0.12347  -0.04370 95  LYS A NZ  
1075 N N   . SER A 69  ? 0.46641 0.26578 0.19042 0.04814  0.11725  -0.03594 96  SER A N   
1076 C CA  . SER A 69  ? 0.41979 0.27207 0.20296 0.05317  0.13095  -0.03446 96  SER A CA  
1077 C C   . SER A 69  ? 0.47317 0.37827 0.30830 0.04397  0.12532  -0.02915 96  SER A C   
1078 O O   . SER A 69  ? 0.42799 0.37396 0.31150 0.04471  0.12172  -0.02845 96  SER A O   
1079 C CB  . SER A 69  ? 0.51009 0.36206 0.29290 0.06235  0.16014  -0.03217 96  SER A CB  
1080 O OG  . SER A 69  ? 0.62301 0.47514 0.39713 0.05652  0.17158  -0.02646 96  SER A OG  
1086 N N   . GLU A 70  ? 0.35371 0.25522 0.17702 0.03505  0.12226  -0.02517 97  GLU A N   
1087 C CA  . GLU A 70  ? 0.32237 0.27015 0.19091 0.02679  0.11873  -0.01928 97  GLU A CA  
1088 C C   . GLU A 70  ? 0.32782 0.25931 0.17320 0.01732  0.10626  -0.01727 97  GLU A C   
1089 O O   . GLU A 70  ? 0.37101 0.25848 0.16741 0.01589  0.10591  -0.01793 97  GLU A O   
1090 C CB  . GLU A 70  ? 0.38362 0.35738 0.27838 0.02781  0.13876  -0.01322 97  GLU A CB  
1091 C CG  . GLU A 70  ? 0.46054 0.41896 0.33144 0.02262  0.15075  -0.00784 97  GLU A CG  
1092 C CD  . GLU A 70  ? 0.55042 0.52154 0.43510 0.02731  0.17639  -0.00292 97  GLU A CD  
1093 O OE1 . GLU A 70  ? 0.51082 0.52512 0.44297 0.02310  0.17841  0.00311  97  GLU A OE1 
1094 O OE2 . GLU A 70  ? 0.75267 0.68733 0.59780 0.03503  0.19441  -0.00472 97  GLU A OE2 
1101 N N   . VAL A 71  ? 0.19436 0.23660 0.14248 -0.01557 0.04861  -0.07537 98  VAL A N   
1102 C CA  . VAL A 71  ? 0.23552 0.27639 0.15405 -0.00585 0.03653  -0.06653 98  VAL A CA  
1103 C C   . VAL A 71  ? 0.22405 0.24859 0.13408 -0.00434 0.04203  -0.05003 98  VAL A C   
1104 O O   . VAL A 71  ? 0.22862 0.25250 0.16668 -0.00993 0.04485  -0.04924 98  VAL A O   
1105 C CB  . VAL A 71  ? 0.24020 0.29373 0.18000 -0.00612 0.02477  -0.07342 98  VAL A CB  
1106 C CG1 . VAL A 71  ? 0.21136 0.26202 0.12866 0.00333  0.01217  -0.06178 98  VAL A CG1 
1107 C CG2 . VAL A 71  ? 0.23405 0.31189 0.19240 -0.01020 0.02306  -0.09505 98  VAL A CG2 
1117 N N   . ARG A 72  ? 0.20892 0.22087 0.08186 0.00503  0.04620  -0.03722 99  ARG A N   
1118 C CA  . ARG A 72  ? 0.20557 0.20544 0.08181 0.00156  0.05508  -0.02407 99  ARG A CA  
1119 C C   . ARG A 72  ? 0.20466 0.20318 0.06820 0.00848  0.04189  -0.01517 99  ARG A C   
1120 O O   . ARG A 72  ? 0.23052 0.23068 0.07009 0.01802  0.03283  -0.01000 99  ARG A O   
1121 C CB  . ARG A 72  ? 0.32472 0.30495 0.18306 0.00140  0.07516  -0.01356 99  ARG A CB  
1122 C CG  . ARG A 72  ? 0.28497 0.26064 0.17123 -0.01153 0.09104  -0.02315 99  ARG A CG  
1123 C CD  . ARG A 72  ? 0.45193 0.40215 0.32071 -0.01196 0.11441  -0.01434 99  ARG A CD  
1124 N NE  . ARG A 72  ? 0.55297 0.50375 0.37326 0.00357  0.11217  -0.00325 99  ARG A NE  
1125 C CZ  . ARG A 72  ? 0.54672 0.52540 0.35084 0.00812  0.10294  -0.01356 99  ARG A CZ  
1126 N NH1 . ARG A 72  ? 0.51929 0.51395 0.35072 0.00124  0.09933  -0.03094 99  ARG A NH1 
1127 N NH2 . ARG A 72  ? 0.60633 0.59102 0.36681 0.01986  0.09830  -0.00765 99  ARG A NH2 
1141 N N   . ALA A 73  ? 0.17987 0.17206 0.06336 0.00494  0.03968  -0.01357 100 ALA A N   
1142 C CA  . ALA A 73  ? 0.20161 0.19389 0.08129 0.01307  0.02565  -0.00637 100 ALA A CA  
1143 C C   . ALA A 73  ? 0.16278 0.14212 0.06519 0.00673  0.03241  -0.00099 100 ALA A C   
1144 O O   . ALA A 73  ? 0.14283 0.13154 0.07752 -0.00327 0.03512  -0.01081 100 ALA A O   
1145 C CB  . ALA A 73  ? 0.17680 0.19122 0.07835 0.01196  0.00756  -0.01922 100 ALA A CB  
1151 N N   . LYS A 74  ? 0.18161 0.14462 0.06888 0.01525  0.03410  0.01177  101 LYS A N   
1152 C CA  . LYS A 74  ? 0.17061 0.12549 0.08302 0.00916  0.03861  0.01180  101 LYS A CA  
1153 C C   . LYS A 74  ? 0.14318 0.11538 0.06529 0.01315  0.01582  0.00830  101 LYS A C   
1154 O O   . LYS A 74  ? 0.16641 0.14963 0.07334 0.02285  0.00133  0.00862  101 LYS A O   
1155 C CB  . LYS A 74  ? 0.21822 0.13681 0.11069 0.01712  0.06147  0.02918  101 LYS A CB  
1156 C CG  . LYS A 74  ? 0.32727 0.21833 0.21192 0.01285  0.09390  0.03400  101 LYS A CG  
1157 C CD  . LYS A 74  ? 0.39547 0.24896 0.27926 0.02086  0.11771  0.04612  101 LYS A CD  
1158 C CE  . LYS A 74  ? 0.47888 0.32827 0.40736 0.00476  0.13034  0.03252  101 LYS A CE  
1159 N NZ  . LYS A 74  ? 0.59416 0.40708 0.53068 0.01092  0.16129  0.03638  101 LYS A NZ  
1173 N N   . PHE A 75  ? 0.14751 0.12621 0.09743 0.00562  0.01408  0.00063  102 PHE A N   
1174 C CA  . PHE A 75  ? 0.12794 0.11795 0.08465 0.00943  -0.00218 -0.00159 102 PHE A CA  
1175 C C   . PHE A 75  ? 0.13531 0.12311 0.11118 0.00460  0.00189  -0.00615 102 PHE A C   
1176 O O   . PHE A 75  ? 0.13498 0.12294 0.12945 -0.00450 0.01512  -0.01549 102 PHE A O   
1177 C CB  . PHE A 75  ? 0.11168 0.12038 0.07849 0.00873  -0.01107 -0.00961 102 PHE A CB  
1178 C CG  . PHE A 75  ? 0.09372 0.11635 0.07709 0.00539  -0.00735 -0.01762 102 PHE A CG  
1179 C CD1 . PHE A 75  ? 0.12091 0.15901 0.11766 0.00746  -0.01191 -0.02480 102 PHE A CD1 
1180 C CD2 . PHE A 75  ? 0.11182 0.13824 0.09747 0.00289  -0.00047 -0.02084 102 PHE A CD2 
1181 C CE1 . PHE A 75  ? 0.09783 0.16190 0.10996 0.01044  -0.01299 -0.03672 102 PHE A CE1 
1182 C CE2 . PHE A 75  ? 0.11585 0.16337 0.12132 0.00363  0.00042  -0.03143 102 PHE A CE2 
1183 C CZ  . PHE A 75  ? 0.06688 0.13680 0.08561 0.00915  -0.00751 -0.04021 102 PHE A CZ  
1193 N N   . LYS A 76  ? 0.11609 0.10564 0.09286 0.00936  -0.00804 -0.00478 103 LYS A N   
1194 C CA  . LYS A 76  ? 0.10643 0.09534 0.10029 0.00537  -0.00494 -0.01105 103 LYS A CA  
1195 C C   . LYS A 76  ? 0.10760 0.10944 0.10356 0.00882  -0.01744 -0.01473 103 LYS A C   
1196 O O   . LYS A 76  ? 0.12376 0.12499 0.11229 0.01452  -0.02435 -0.01055 103 LYS A O   
1197 C CB  . LYS A 76  ? 0.16846 0.13161 0.15800 0.01069  0.00568  -0.00008 103 LYS A CB  
1198 C CG  . LYS A 76  ? 0.22647 0.18417 0.23890 0.00476  0.01458  -0.00853 103 LYS A CG  
1199 C CD  . LYS A 76  ? 0.31655 0.24366 0.32056 0.01731  0.02598  0.00865  103 LYS A CD  
1200 C CE  . LYS A 76  ? 0.62687 0.53370 0.65893 0.00802  0.05136  0.00070  103 LYS A CE  
1201 N NZ  . LYS A 76  ? 0.63128 0.52912 0.66946 0.01748  0.04933  0.00582  103 LYS A NZ  
1215 N N   . PHE A 77  ? 0.09463 0.11092 0.10156 0.00603  -0.01792 -0.02578 104 PHE A N   
1216 C CA  . PHE A 77  ? 0.06982 0.09213 0.07319 0.01133  -0.02288 -0.02700 104 PHE A CA  
1217 C C   . PHE A 77  ? 0.08708 0.11052 0.10306 0.00697  -0.01954 -0.03647 104 PHE A C   
1218 O O   . PHE A 77  ? 0.08977 0.12252 0.12099 -0.00024 -0.01391 -0.04985 104 PHE A O   
1219 C CB  . PHE A 77  ? 0.08087 0.11811 0.07642 0.01875  -0.02206 -0.02728 104 PHE A CB  
1220 C CG  . PHE A 77  ? 0.08400 0.11849 0.07244 0.02286  -0.02073 -0.01990 104 PHE A CG  
1221 C CD1 . PHE A 77  ? 0.16826 0.18987 0.15292 0.02309  -0.02041 -0.01468 104 PHE A CD1 
1222 C CD2 . PHE A 77  ? 0.10976 0.15984 0.09901 0.02820  -0.02001 -0.02298 104 PHE A CD2 
1223 C CE1 . PHE A 77  ? 0.25280 0.27316 0.23400 0.02659  -0.01669 -0.01148 104 PHE A CE1 
1224 C CE2 . PHE A 77  ? 0.14761 0.19595 0.13169 0.03357  -0.01805 -0.01757 104 PHE A CE2 
1225 C CZ  . PHE A 77  ? 0.15188 0.18473 0.13105 0.03280  -0.01619 -0.01117 104 PHE A CZ  
1235 N N   . SER A 78  ? 0.07216 0.08863 0.08785 0.00957  -0.01981 -0.03467 105 SER A N   
1236 C CA  . SER A 78  ? 0.07562 0.09440 0.10324 0.00562  -0.01531 -0.04557 105 SER A CA  
1237 C C   . SER A 78  ? 0.06268 0.08001 0.08145 0.01114  -0.01372 -0.04454 105 SER A C   
1238 O O   . SER A 78  ? 0.08111 0.09190 0.08917 0.01678  -0.01221 -0.03588 105 SER A O   
1239 C CB  . SER A 78  ? 0.15070 0.15024 0.19508 0.00211  -0.00907 -0.04271 105 SER A CB  
1240 O OG  . SER A 78  ? 0.15949 0.14957 0.19971 0.01008  -0.01506 -0.03122 105 SER A OG  
1246 N N   . ILE A 79  ? 0.09173 0.11379 0.11696 0.00839  -0.00886 -0.05482 106 ILE A N   
1247 C CA  . ILE A 79  ? 0.07899 0.09768 0.09297 0.01348  -0.00167 -0.05549 106 ILE A CA  
1248 C C   . ILE A 79  ? 0.07703 0.08486 0.11425 0.00560  0.00338  -0.05696 106 ILE A C   
1249 O O   . ILE A 79  ? 0.10862 0.12024 0.16319 -0.00067 0.00421  -0.06165 106 ILE A O   
1250 C CB  . ILE A 79  ? 0.09902 0.14043 0.09391 0.01976  -0.00172 -0.06170 106 ILE A CB  
1251 C CG1 . ILE A 79  ? 0.09874 0.15912 0.07901 0.02984  -0.00995 -0.05624 106 ILE A CG1 
1252 C CG2 . ILE A 79  ? 0.12701 0.15729 0.09874 0.02886  0.01076  -0.05716 106 ILE A CG2 
1253 C CD1 . ILE A 79  ? 0.11913 0.21115 0.08950 0.04122  -0.01443 -0.06248 106 ILE A CD1 
1265 N N   . LEU A 80  ? 0.09114 0.10535 0.08748 0.00847  -0.01275 0.01114  107 LEU A N   
1266 C CA  . LEU A 80  ? 0.11036 0.14227 0.12816 0.01476  -0.01963 0.00838  107 LEU A CA  
1267 C C   . LEU A 80  ? 0.10088 0.14097 0.12457 0.02634  -0.01009 0.00580  107 LEU A C   
1268 O O   . LEU A 80  ? 0.15381 0.19726 0.17393 0.02794  0.00341  0.00672  107 LEU A O   
1269 C CB  . LEU A 80  ? 0.09437 0.14636 0.13080 0.00422  -0.01942 0.00660  107 LEU A CB  
1270 C CG  . LEU A 80  ? 0.13061 0.21608 0.19825 0.01311  -0.02630 0.00528  107 LEU A CG  
1271 C CD1 . LEU A 80  ? 0.14596 0.23210 0.20874 0.02466  -0.04480 0.00978  107 LEU A CD1 
1272 C CD2 . LEU A 80  ? 0.19023 0.30596 0.28254 -0.00480 -0.02158 -0.00131 107 LEU A CD2 
1284 N N   . ASN A 81  ? 0.09388 0.13131 0.12051 0.03634  -0.01351 0.00323  108 ASN A N   
1285 C CA  . ASN A 81  ? 0.09934 0.13912 0.12524 0.04570  -0.00271 -0.00120 108 ASN A CA  
1286 C C   . ASN A 81  ? 0.13187 0.18830 0.18342 0.05569  0.00300  0.00141  108 ASN A C   
1287 O O   . ASN A 81  ? 0.09767 0.17421 0.17218 0.05476  -0.00430 0.00557  108 ASN A O   
1288 C CB  . ASN A 81  ? 0.11641 0.13512 0.12221 0.04658  -0.00229 -0.00942 108 ASN A CB  
1289 C CG  . ASN A 81  ? 0.18177 0.18000 0.18737 0.05563  -0.00192 -0.00758 108 ASN A CG  
1290 O OD1 . ASN A 81  ? 0.14545 0.15638 0.17034 0.06770  -0.00476 0.00138  108 ASN A OD1 
1291 N ND2 . ASN A 81  ? 0.25688 0.22414 0.23899 0.05063  0.00424  -0.01653 108 ASN A ND2 
1298 N N   . ALA A 82  ? 0.11182 0.16554 0.15968 0.06480  0.01658  -0.00183 109 ALA A N   
1299 C CA  . ALA A 82  ? 0.11699 0.18660 0.19065 0.07573  0.02773  0.00103  109 ALA A CA  
1300 C C   . ALA A 82  ? 0.13011 0.20199 0.21743 0.08962  0.02329  0.00567  109 ALA A C   
1301 O O   . ALA A 82  ? 0.14373 0.23552 0.25692 0.09478  0.02771  0.00848  109 ALA A O   
1302 C CB  . ALA A 82  ? 0.16958 0.22400 0.22518 0.08196  0.04429  -0.00351 109 ALA A CB  
1308 N N   . LYS A 83  ? 0.14372 0.18772 0.20719 0.09230  0.01690  0.00512  110 LYS A N   
1309 C CA  . LYS A 83  ? 0.17216 0.20657 0.23686 0.10894  0.01715  0.01270  110 LYS A CA  
1310 C C   . LYS A 83  ? 0.16127 0.22202 0.24210 0.10907  -0.00199 0.02120  110 LYS A C   
1311 O O   . LYS A 83  ? 0.18811 0.24418 0.26582 0.12348  -0.00351 0.02932  110 LYS A O   
1312 C CB  . LYS A 83  ? 0.28210 0.26197 0.30594 0.11260  0.02745  0.00733  110 LYS A CB  
1313 C CG  . LYS A 83  ? 0.45358 0.40267 0.45333 0.11038  0.04795  -0.00501 110 LYS A CG  
1314 C CD  . LYS A 83  ? 0.53554 0.50294 0.55395 0.11790  0.05759  -0.00096 110 LYS A CD  
1315 C CE  . LYS A 83  ? 0.53835 0.48775 0.55326 0.13466  0.06916  0.00858  110 LYS A CE  
1316 N NZ  . LYS A 83  ? 0.89352 0.78826 0.86629 0.13174  0.09077  -0.00107 110 LYS A NZ  
1330 N N   . GLY A 84  ? 0.15760 0.24301 0.24915 0.09337  -0.01476 0.01902  111 GLY A N   
1331 C CA  . GLY A 84  ? 0.13320 0.24171 0.23273 0.08876  -0.03367 0.02357  111 GLY A CA  
1332 C C   . GLY A 84  ? 0.14699 0.21953 0.21095 0.08884  -0.04201 0.02657  111 GLY A C   
1333 O O   . GLY A 84  ? 0.16266 0.24312 0.22232 0.09118  -0.05461 0.03265  111 GLY A O   
1337 N N   . GLU A 85  ? 0.14834 0.17882 0.18474 0.08021  -0.03274 0.02040  112 GLU A N   
1338 C CA  . GLU A 85  ? 0.16633 0.15649 0.16964 0.07598  -0.03452 0.02113  112 GLU A CA  
1339 C C   . GLU A 85  ? 0.20022 0.18438 0.19507 0.05182  -0.03568 0.01398  112 GLU A C   
1340 O O   . GLU A 85  ? 0.16646 0.16410 0.17035 0.04267  -0.02974 0.00793  112 GLU A O   
1341 C CB  . GLU A 85  ? 0.25814 0.20130 0.23639 0.08437  -0.01613 0.01786  112 GLU A CB  
1342 C CG  . GLU A 85  ? 0.37821 0.31104 0.35207 0.11127  -0.00870 0.02892  112 GLU A CG  
1343 C CD  . GLU A 85  ? 0.61422 0.48642 0.55283 0.11213  0.01576  0.02372  112 GLU A CD  
1344 O OE1 . GLU A 85  ? 0.60503 0.44970 0.51994 0.11888  0.02220  0.03092  112 GLU A OE1 
1345 O OE2 . GLU A 85  ? 0.67925 0.53286 0.61148 0.10242  0.03013  0.00991  112 GLU A OE2 
1352 N N   . GLU A 86  ? 0.15864 0.12061 0.13238 0.04568  -0.04098 0.01689  113 GLU A N   
1353 C CA  . GLU A 86  ? 0.17538 0.12755 0.13910 0.02719  -0.03788 0.01267  113 GLU A CA  
1354 C C   . GLU A 86  ? 0.23001 0.16272 0.18408 0.02132  -0.02515 0.00372  113 GLU A C   
1355 O O   . GLU A 86  ? 0.28046 0.18081 0.21852 0.02550  -0.01674 0.00128  113 GLU A O   
1356 C CB  . GLU A 86  ? 0.24215 0.17267 0.18383 0.02226  -0.04403 0.01825  113 GLU A CB  
1357 C CG  . GLU A 86  ? 0.30961 0.26215 0.25460 0.02262  -0.05926 0.02264  113 GLU A CG  
1358 C CD  . GLU A 86  ? 0.47124 0.39936 0.38870 0.01281  -0.06070 0.02449  113 GLU A CD  
1359 O OE1 . GLU A 86  ? 0.51801 0.41559 0.42101 0.00708  -0.04738 0.02310  113 GLU A OE1 
1360 O OE2 . GLU A 86  ? 0.46558 0.41205 0.38083 0.00939  -0.07208 0.02428  113 GLU A OE2 
1367 N N   . THR A 87  ? 0.17778 0.13081 0.13914 0.01183  -0.02162 -0.00181 114 THR A N   
1368 C CA  A THR A 87  ? 0.14543 0.09783 0.10229 0.00239  -0.01326 -0.01420 114 THR A CA  
1369 C CA  B THR A 87  ? 0.14674 0.10129 0.10446 0.00271  -0.01339 -0.01433 114 THR A CA  
1370 C C   . THR A 87  ? 0.12098 0.09438 0.08069 -0.00588 -0.01261 -0.01344 114 THR A C   
1371 O O   . THR A 87  ? 0.12038 0.10062 0.08103 -0.00199 -0.01439 -0.00242 114 THR A O   
1372 C CB  A THR A 87  ? 0.24279 0.21324 0.20524 0.00591  -0.00981 -0.02376 114 THR A CB  
1373 C CB  B THR A 87  ? 0.22607 0.20273 0.19065 0.00684  -0.01074 -0.02280 114 THR A CB  
1374 O OG1 A THR A 87  ? 0.23572 0.21058 0.19137 -0.00909 -0.00341 -0.04096 114 THR A OG1 
1375 O OG1 B THR A 87  ? 0.22333 0.18937 0.19161 0.02031  -0.00965 -0.01847 114 THR A OG1 
1376 C CG2 A THR A 87  ? 0.18058 0.18462 0.15398 0.01341  -0.01292 -0.01784 114 THR A CG2 
1377 C CG2 B THR A 87  ? 0.23990 0.21373 0.19505 -0.00730 -0.00280 -0.04166 114 THR A CG2 
1392 N N   . LYS A 88  ? 0.13216 0.11534 0.09252 -0.01822 -0.00706 -0.02612 115 LYS A N   
1393 C CA  . LYS A 88  ? 0.11599 0.13542 0.08533 -0.02231 -0.00597 -0.02587 115 LYS A CA  
1394 C C   . LYS A 88  ? 0.13781 0.13586 0.10124 -0.02203 -0.00175 -0.01231 115 LYS A C   
1395 O O   . LYS A 88  ? 0.13712 0.15871 0.10482 -0.01591 0.00179  -0.00329 115 LYS A O   
1396 C CB  . LYS A 88  ? 0.09891 0.16100 0.07374 -0.00756 -0.01010 -0.02061 115 LYS A CB  
1397 C CG  . LYS A 88  ? 0.12341 0.21777 0.09976 -0.01042 -0.01362 -0.03761 115 LYS A CG  
1398 C CD  . LYS A 88  ? 0.12109 0.25604 0.10695 -0.02638 -0.01449 -0.05397 115 LYS A CD  
1399 C CE  . LYS A 88  ? 0.19013 0.34690 0.17653 -0.03281 -0.01514 -0.06987 115 LYS A CE  
1400 N NZ  . LYS A 88  ? 0.27415 0.38282 0.24866 -0.04891 -0.00759 -0.08439 115 LYS A NZ  
1414 N N   . ALA A 89  ? 0.13542 0.08580 0.08382 -0.02609 0.00059  -0.00984 116 ALA A N   
1415 C CA  . ALA A 89  ? 0.15436 0.07668 0.08836 -0.02617 0.00490  0.00208  116 ALA A CA  
1416 C C   . ALA A 89  ? 0.15002 0.08089 0.09085 -0.03647 0.01771  -0.00143 116 ALA A C   
1417 O O   . ALA A 89  ? 0.16255 0.09655 0.11150 -0.05049 0.02509  -0.01622 116 ALA A O   
1418 C CB  . ALA A 89  ? 0.20933 0.08926 0.12336 -0.02273 0.00272  0.00523  116 ALA A CB  
1424 N N   . MET A 90  ? 0.17689 0.12544 0.09368 0.00938  0.01101  -0.06059 117 MET A N   
1425 C CA  . MET A 90  ? 0.18340 0.12191 0.10645 -0.00987 0.02001  -0.05346 117 MET A CA  
1426 C C   . MET A 90  ? 0.17253 0.10752 0.09001 0.00393  0.01923  -0.03886 117 MET A C   
1427 O O   . MET A 90  ? 0.15350 0.11734 0.07743 0.01631  0.00736  -0.03533 117 MET A O   
1428 C CB  . MET A 90  ? 0.14157 0.12740 0.09542 -0.03493 0.01393  -0.05655 117 MET A CB  
1429 C CG  . MET A 90  ? 0.15119 0.14310 0.11338 -0.05121 0.01693  -0.06477 117 MET A CG  
1430 S SD  . MET A 90  ? 0.16005 0.19317 0.14921 -0.07064 0.01816  -0.05575 117 MET A SD  
1431 C CE  . MET A 90  ? 0.12956 0.19463 0.13471 -0.05203 0.00437  -0.04039 117 MET A CE  
1441 N N   . GLU A 91  ? 0.20149 0.10191 0.10545 -0.00016 0.03252  -0.03114 118 GLU A N   
1442 C CA  . GLU A 91  ? 0.19872 0.09726 0.09537 0.01169  0.03322  -0.01861 118 GLU A CA  
1443 C C   . GLU A 91  ? 0.19950 0.10863 0.11138 -0.00803 0.04101  -0.01402 118 GLU A C   
1444 O O   . GLU A 91  ? 0.26219 0.16871 0.18243 -0.03011 0.04909  -0.01817 118 GLU A O   
1445 C CB  . GLU A 91  ? 0.34354 0.19377 0.20502 0.03142  0.04166  -0.01040 118 GLU A CB  
1446 C CG  . GLU A 91  ? 0.45213 0.25270 0.29491 0.01985  0.05902  -0.00695 118 GLU A CG  
1447 C CD  . GLU A 91  ? 0.68645 0.44287 0.49660 0.04236  0.06403  0.00194  118 GLU A CD  
1448 O OE1 . GLU A 91  ? 0.74246 0.49937 0.53812 0.05825  0.06303  0.01428  118 GLU A OE1 
1449 O OE2 . GLU A 91  ? 0.80368 0.54016 0.60869 0.04240  0.06675  -0.00326 118 GLU A OE2 
1456 N N   . SER A 92  ? 0.17886 0.10496 0.09556 -0.00050 0.03836  -0.00700 119 SER A N   
1457 C CA  . SER A 92  ? 0.16963 0.10319 0.09662 -0.01304 0.04799  -0.00178 119 SER A CA  
1458 C C   . SER A 92  ? 0.28104 0.17020 0.18054 -0.01702 0.06438  0.00446  119 SER A C   
1459 O O   . SER A 92  ? 0.35863 0.21307 0.22853 -0.00079 0.06664  0.00978  119 SER A O   
1460 C CB  . SER A 92  ? 0.18484 0.13966 0.11785 -0.00083 0.04274  0.00202  119 SER A CB  
1461 O OG  . SER A 92  ? 0.20000 0.13226 0.10388 0.01723  0.04380  0.00706  119 SER A OG  
1467 N N   . GLN A 93  ? 0.44242 0.33287 0.35058 -0.03922 0.07590  0.00471  120 GLN A N   
1468 C CA  . GLN A 93  ? 0.30857 0.15479 0.18966 -0.04558 0.09053  0.01022  120 GLN A CA  
1469 C C   . GLN A 93  ? 0.33580 0.18082 0.20665 -0.03446 0.09374  0.01949  120 GLN A C   
1470 O O   . GLN A 93  ? 0.32766 0.14291 0.17809 -0.03541 0.10167  0.02480  120 GLN A O   
1471 C CB  . GLN A 93  ? 0.38428 0.24454 0.28309 -0.07053 0.09400  0.00272  120 GLN A CB  
1472 C CG  . GLN A 93  ? 0.61731 0.47437 0.52022 -0.08186 0.09105  -0.00896 120 GLN A CG  
1473 C CD  . GLN A 93  ? 0.62156 0.42988 0.49572 -0.06737 0.09243  -0.01002 120 GLN A CD  
1474 O OE1 . GLN A 93  ? 0.72191 0.48766 0.56689 -0.05277 0.09859  -0.00225 120 GLN A OE1 
1475 N NE2 . GLN A 93  ? 0.66416 0.48954 0.55072 -0.06613 0.08215  -0.02073 120 GLN A NE2 
1484 N N   . ARG A 94  ? 0.26298 0.14073 0.14761 -0.02452 0.08746  0.02040  121 ARG A N   
1485 C CA  . ARG A 94  ? 0.25868 0.14334 0.13784 -0.01598 0.08948  0.02579  121 ARG A CA  
1486 C C   . ARG A 94  ? 0.22695 0.13841 0.11573 -0.00078 0.07897  0.02273  121 ARG A C   
1487 O O   . ARG A 94  ? 0.20868 0.13549 0.11022 0.00149  0.07086  0.01754  121 ARG A O   
1488 C CB  . ARG A 94  ? 0.25648 0.16484 0.15499 -0.03239 0.09662  0.02548  121 ARG A CB  
1489 C CG  . ARG A 94  ? 0.30610 0.25729 0.24102 -0.03934 0.09089  0.01931  121 ARG A CG  
1490 C CD  . ARG A 94  ? 0.32111 0.30050 0.27378 -0.04747 0.09588  0.02069  121 ARG A CD  
1491 N NE  . ARG A 94  ? 0.21363 0.23505 0.20164 -0.04989 0.08914  0.01810  121 ARG A NE  
1492 C CZ  . ARG A 94  ? 0.21760 0.26562 0.22308 -0.03857 0.08579  0.01747  121 ARG A CZ  
1493 N NH1 . ARG A 94  ? 0.21278 0.25127 0.20442 -0.02530 0.08738  0.01536  121 ARG A NH1 
1494 N NH2 . ARG A 94  ? 0.17718 0.25855 0.21346 -0.03888 0.08089  0.01952  121 ARG A NH2 
1508 N N   . ALA A 95  ? 0.24358 0.16249 0.12682 0.00750  0.07892  0.02467  122 ALA A N   
1509 C CA  . ALA A 95  ? 0.20082 0.14498 0.09551 0.01772  0.06909  0.01885  122 ALA A CA  
1510 C C   . ALA A 95  ? 0.17519 0.14874 0.09960 0.00985  0.07209  0.01371  122 ALA A C   
1511 O O   . ALA A 95  ? 0.18828 0.17106 0.12307 -0.00073 0.08176  0.01526  122 ALA A O   
1512 C CB  . ALA A 95  ? 0.23355 0.17673 0.11278 0.02619  0.06824  0.02044  122 ALA A CB  
1518 N N   . TYR A 96  ? 0.15788 0.14854 0.09780 0.01562  0.06265  0.00803  123 TYR A N   
1519 C CA  . TYR A 96  ? 0.12587 0.14327 0.09609 0.01325  0.06377  0.00414  123 TYR A CA  
1520 C C   . TYR A 96  ? 0.13250 0.15316 0.10110 0.02265  0.06040  -0.00224 123 TYR A C   
1521 O O   . TYR A 96  ? 0.16695 0.17649 0.11648 0.02827  0.05329  -0.00440 123 TYR A O   
1522 C CB  . TYR A 96  ? 0.10300 0.13707 0.09690 0.01037  0.05490  0.00360  123 TYR A CB  
1523 C CG  . TYR A 96  ? 0.09694 0.13735 0.10264 -0.00533 0.05821  0.00663  123 TYR A CG  
1524 C CD1 . TYR A 96  ? 0.11436 0.13029 0.09872 -0.01080 0.05847  0.00747  123 TYR A CD1 
1525 C CD2 . TYR A 96  ? 0.10922 0.17860 0.14349 -0.01346 0.05652  0.00863  123 TYR A CD2 
1526 C CE1 . TYR A 96  ? 0.15979 0.17794 0.15212 -0.02835 0.06274  0.00760  123 TYR A CE1 
1527 C CE2 . TYR A 96  ? 0.10247 0.17496 0.14448 -0.02605 0.05595  0.01214  123 TYR A CE2 
1528 C CZ  . TYR A 96  ? 0.10896 0.15819 0.13087 -0.03553 0.05831  0.00925  123 TYR A CZ  
1529 O OH  . TYR A 96  ? 0.20792 0.25859 0.23495 -0.04918 0.05735  0.00850  123 TYR A OH  
1539 N N   . ARG A 97  ? 0.12055 0.15777 0.11070 0.02280  0.06513  -0.00564 124 ARG A N   
1540 C CA  . ARG A 97  ? 0.12731 0.16387 0.11597 0.02987  0.06488  -0.01382 124 ARG A CA  
1541 C C   . ARG A 97  ? 0.14018 0.17830 0.14350 0.03440  0.05513  -0.01744 124 ARG A C   
1542 O O   . ARG A 97  ? 0.12290 0.17484 0.15323 0.03488  0.05311  -0.01508 124 ARG A O   
1543 C CB  . ARG A 97  ? 0.14483 0.19622 0.14681 0.03016  0.07558  -0.01646 124 ARG A CB  
1544 C CG  . ARG A 97  ? 0.19906 0.24839 0.19741 0.03724  0.07755  -0.02700 124 ARG A CG  
1545 C CD  . ARG A 97  ? 0.24762 0.31543 0.26437 0.04095  0.08682  -0.03018 124 ARG A CD  
1546 N NE  . ARG A 97  ? 0.35219 0.41582 0.36983 0.05026  0.08728  -0.04142 124 ARG A NE  
1547 C CZ  . ARG A 97  ? 0.39550 0.46254 0.43461 0.05929  0.08578  -0.04366 124 ARG A CZ  
1548 N NH1 . ARG A 97  ? 0.36780 0.44749 0.43131 0.05936  0.08223  -0.03507 124 ARG A NH1 
1549 N NH2 . ARG A 97  ? 0.58549 0.64263 0.62011 0.06827  0.08753  -0.05432 124 ARG A NH2 
1563 N N   . PHE A 98  ? 0.11500 0.14081 0.10053 0.03631  0.04817  -0.02193 125 PHE A N   
1564 C CA  . PHE A 98  ? 0.13959 0.16371 0.13287 0.03902  0.04009  -0.02545 125 PHE A CA  
1565 C C   . PHE A 98  ? 0.17172 0.18755 0.16412 0.04163  0.04609  -0.03581 125 PHE A C   
1566 O O   . PHE A 98  ? 0.21533 0.22727 0.19111 0.03948  0.05174  -0.04183 125 PHE A O   
1567 C CB  . PHE A 98  ? 0.13641 0.15711 0.11008 0.03697  0.02715  -0.02488 125 PHE A CB  
1568 C CG  . PHE A 98  ? 0.11566 0.14465 0.09245 0.03546  0.01972  -0.01799 125 PHE A CG  
1569 C CD1 . PHE A 98  ? 0.12384 0.14659 0.08850 0.03412  0.02354  -0.01283 125 PHE A CD1 
1570 C CD2 . PHE A 98  ? 0.07418 0.11718 0.06543 0.03459  0.00899  -0.01780 125 PHE A CD2 
1571 C CE1 . PHE A 98  ? 0.13879 0.16463 0.10394 0.03262  0.01843  -0.00880 125 PHE A CE1 
1572 C CE2 . PHE A 98  ? 0.09259 0.14452 0.08709 0.03039  0.00180  -0.01317 125 PHE A CE2 
1573 C CZ  . PHE A 98  ? 0.11516 0.15778 0.09472 0.03101  0.00779  -0.01010 125 PHE A CZ  
1583 N N   . VAL A 99  ? 0.16785 0.18172 0.17928 0.04621  0.04472  -0.03791 126 VAL A N   
1584 C CA  . VAL A 99  ? 0.20510 0.20532 0.21264 0.04857  0.04769  -0.04934 126 VAL A CA  
1585 C C   . VAL A 99  ? 0.17190 0.15942 0.17279 0.04874  0.03833  -0.04911 126 VAL A C   
1586 O O   . VAL A 99  ? 0.14234 0.14380 0.15682 0.04737  0.02637  -0.04221 126 VAL A O   
1587 C CB  . VAL A 99  ? 0.22604 0.22917 0.24858 0.06249  0.05195  -0.05031 126 VAL A CB  
1588 C CG1 . VAL A 99  ? 0.28856 0.30902 0.31507 0.06283  0.06122  -0.04968 126 VAL A CG1 
1589 C CG2 . VAL A 99  ? 0.27790 0.28462 0.32787 0.06598  0.04729  -0.03856 126 VAL A CG2 
1599 N N   . GLN A 100 ? 0.21043 0.17860 0.19280 0.04625  0.03935  -0.06018 127 GLN A N   
1600 C CA  . GLN A 100 ? 0.16767 0.12897 0.14811 0.03908  0.02698  -0.06681 127 GLN A CA  
1601 C C   . GLN A 100 ? 0.15667 0.11586 0.17027 0.04218  0.02163  -0.05439 127 GLN A C   
1602 O O   . GLN A 100 ? 0.20179 0.14871 0.23567 0.05337  0.03139  -0.05262 127 GLN A O   
1603 C CB  . GLN A 100 ? 0.20569 0.14262 0.16163 0.03355  0.03141  -0.07925 127 GLN A CB  
1604 C CG  . GLN A 100 ? 0.22638 0.15716 0.17132 0.01892  0.01987  -0.08533 127 GLN A CG  
1605 C CD  . GLN A 100 ? 0.24641 0.16406 0.16509 0.01217  0.02038  -0.09590 127 GLN A CD  
1606 O OE1 . GLN A 100 ? 0.25397 0.18206 0.15370 0.01400  0.02216  -0.09634 127 GLN A OE1 
1607 N NE2 . GLN A 100 ? 0.27119 0.16509 0.19203 0.00422  0.01916  -0.10378 127 GLN A NE2 
1616 N N   . GLY A 101 ? 0.13406 0.10760 0.15241 0.03267  0.00600  -0.04450 128 GLY A N   
1617 C CA  . GLY A 101 ? 0.21402 0.19155 0.26069 0.03275  -0.00146 -0.02938 128 GLY A CA  
1618 C C   . GLY A 101 ? 0.14371 0.15043 0.21463 0.03750  -0.00287 -0.01531 128 GLY A C   
1619 O O   . GLY A 101 ? 0.18893 0.20681 0.28459 0.03753  -0.00960 -0.00121 128 GLY A O   
1623 N N   . LYS A 102 ? 0.08499 0.10347 0.14925 0.04089  0.00453  -0.01839 129 LYS A N   
1624 C CA  . LYS A 102 ? 0.13038 0.17464 0.21355 0.04170  0.00554  -0.00795 129 LYS A CA  
1625 C C   . LYS A 102 ? 0.11565 0.17320 0.18462 0.03067  -0.00431 -0.00568 129 LYS A C   
1626 O O   . LYS A 102 ? 0.05350 0.10507 0.09685 0.02927  -0.00686 -0.01442 129 LYS A O   
1627 C CB  . LYS A 102 ? 0.19664 0.24073 0.27353 0.04795  0.02028  -0.01156 129 LYS A CB  
1628 C CG  . LYS A 102 ? 0.23161 0.29770 0.31910 0.04106  0.01905  -0.00466 129 LYS A CG  
1629 C CD  . LYS A 102 ? 0.28506 0.35479 0.37379 0.04483  0.03221  -0.00810 129 LYS A CD  
1630 C CE  . LYS A 102 ? 0.28120 0.37220 0.38215 0.03623  0.03215  -0.00223 129 LYS A CE  
1631 N NZ  . LYS A 102 ? 0.27489 0.37837 0.39280 0.03544  0.02415  0.00404  129 LYS A NZ  
1645 N N   . ASP A 103 ? 0.06756 0.13478 0.15464 0.01301  0.01927  -0.02294 130 ASP A N   
1646 C CA  . ASP A 103 ? 0.04185 0.11073 0.12490 0.00797  0.01493  -0.01778 130 ASP A CA  
1647 C C   . ASP A 103 ? 0.03479 0.11217 0.10835 0.00697  0.01444  -0.00888 130 ASP A C   
1648 O O   . ASP A 103 ? 0.05043 0.13256 0.12400 0.00908  0.01764  -0.00516 130 ASP A O   
1649 C CB  . ASP A 103 ? 0.04232 0.09947 0.13024 0.00492  0.01703  -0.01267 130 ASP A CB  
1650 C CG  . ASP A 103 ? 0.16393 0.21902 0.25047 0.00928  0.02070  -0.00306 130 ASP A CG  
1651 O OD1 . ASP A 103 ? 0.18024 0.24630 0.26120 0.01149  0.01821  0.00070  130 ASP A OD1 
1652 O OD2 . ASP A 103 ? 0.20166 0.24366 0.29342 0.01123  0.02704  -0.00012 130 ASP A OD2 
1657 N N   . TRP A 104 ? 0.03017 0.10677 0.09659 0.00326  0.01097  -0.00625 131 TRP A N   
1658 C CA  . TRP A 104 ? 0.02905 0.10684 0.08899 -0.00058 0.01199  0.00113  131 TRP A CA  
1659 C C   . TRP A 104 ? 0.03784 0.10738 0.09534 -0.00420 0.00806  0.00340  131 TRP A C   
1660 O O   . TRP A 104 ? 0.04328 0.11199 0.10264 -0.00339 0.00485  -0.00018 131 TRP A O   
1661 C CB  . TRP A 104 ? 0.04909 0.12817 0.09516 0.00047  0.01565  0.00204  131 TRP A CB  
1662 C CG  . TRP A 104 ? 0.04692 0.13216 0.09224 0.00378  0.02214  0.00053  131 TRP A CG  
1663 C CD1 . TRP A 104 ? 0.06686 0.15046 0.10229 0.01106  0.02265  -0.00546 131 TRP A CD1 
1664 C CD2 . TRP A 104 ? 0.04695 0.13901 0.10114 0.00057  0.02833  0.00298  131 TRP A CD2 
1665 N NE1 . TRP A 104 ? 0.06429 0.15492 0.10167 0.01289  0.03079  -0.00518 131 TRP A NE1 
1666 C CE2 . TRP A 104 ? 0.05641 0.15379 0.10729 0.00608  0.03469  -0.00006 131 TRP A CE2 
1667 C CE3 . TRP A 104 ? 0.07285 0.16308 0.13629 -0.00498 0.02727  0.00424  131 TRP A CE3 
1668 C CZ2 . TRP A 104 ? 0.06625 0.16750 0.12548 0.00461  0.04091  -0.00027 131 TRP A CZ2 
1669 C CZ3 . TRP A 104 ? 0.04929 0.14671 0.12311 -0.00544 0.03239  0.00262  131 TRP A CZ3 
1670 C CH2 . TRP A 104 ? 0.06913 0.17176 0.14171 -0.00139 0.03964  0.00101  131 TRP A CH2 
1681 N N   . GLY A 105 ? 0.02885 0.09412 0.08347 -0.00732 0.00797  0.00631  132 GLY A N   
1682 C CA  . GLY A 105 ? 0.04264 0.10088 0.09274 -0.00958 0.00521  0.00760  132 GLY A CA  
1683 C C   . GLY A 105 ? 0.06729 0.12567 0.11738 -0.01139 0.00454  0.00818  132 GLY A C   
1684 O O   . GLY A 105 ? 0.04555 0.11013 0.10043 -0.01309 0.00652  0.00707  132 GLY A O   
1688 N N   . PHE A 106 ? 0.04639 0.10069 0.09377 -0.01115 0.00210  0.00908  133 PHE A N   
1689 C CA  . PHE A 106 ? 0.04605 0.10423 0.09454 -0.01288 0.00004  0.00871  133 PHE A CA  
1690 C C   . PHE A 106 ? 0.02904 0.09403 0.07931 -0.00762 -0.00256 0.01127  133 PHE A C   
1691 O O   . PHE A 106 ? 0.04491 0.10584 0.09274 -0.00537 -0.00171 0.01559  133 PHE A O   
1692 C CB  . PHE A 106 ? 0.04185 0.09329 0.08531 -0.01645 -0.00039 0.00925  133 PHE A CB  
1693 C CG  . PHE A 106 ? 0.03447 0.08109 0.07500 -0.02030 0.00301  0.01047  133 PHE A CG  
1694 C CD1 . PHE A 106 ? 0.07349 0.12084 0.11800 -0.02560 0.00766  0.00933  133 PHE A CD1 
1695 C CD2 . PHE A 106 ? 0.06029 0.10376 0.09639 -0.01872 0.00241  0.01350  133 PHE A CD2 
1696 C CE1 . PHE A 106 ? 0.07628 0.11569 0.11418 -0.02925 0.01442  0.01355  133 PHE A CE1 
1697 C CE2 . PHE A 106 ? 0.04452 0.08523 0.07438 -0.02087 0.00593  0.01806  133 PHE A CE2 
1698 C CZ  . PHE A 106 ? 0.06167 0.09721 0.08871 -0.02630 0.01349  0.01968  133 PHE A CZ  
1708 N N   . LYS A 107 ? 0.02794 0.10534 0.08397 -0.00414 -0.00518 0.00941  134 LYS A N   
1709 C CA  . LYS A 107 ? 0.03294 0.11872 0.08661 0.00595  -0.00838 0.01326  134 LYS A CA  
1710 C C   . LYS A 107 ? 0.04680 0.13506 0.09394 0.00734  -0.01275 0.01322  134 LYS A C   
1711 O O   . LYS A 107 ? 0.04513 0.13176 0.08197 0.01853  -0.01286 0.01962  134 LYS A O   
1712 C CB  . LYS A 107 ? 0.05436 0.15309 0.11318 0.01229  -0.01227 0.00910  134 LYS A CB  
1713 C CG  . LYS A 107 ? 0.13328 0.23269 0.18195 0.02794  -0.01366 0.01455  134 LYS A CG  
1714 C CD  . LYS A 107 ? 0.22726 0.33591 0.27992 0.03576  -0.01596 0.01146  134 LYS A CD  
1715 C CE  . LYS A 107 ? 0.23256 0.35796 0.28998 0.03655  -0.02427 0.00224  134 LYS A CE  
1716 N NZ  . LYS A 107 ? 0.35120 0.48859 0.41546 0.04426  -0.02611 -0.00121 134 LYS A NZ  
1730 N N   . LYS A 108 ? 0.03519 0.12332 0.08549 -0.00180 -0.01476 0.00677  135 LYS A N   
1731 C CA  . LYS A 108 ? 0.04000 0.13048 0.08455 -0.00173 -0.01937 0.00421  135 LYS A CA  
1732 C C   . LYS A 108 ? 0.05642 0.13424 0.09982 -0.01099 -0.01521 0.00576  135 LYS A C   
1733 O O   . LYS A 108 ? 0.06414 0.13900 0.11076 -0.01846 -0.01543 -0.00004 135 LYS A O   
1734 C CB  . LYS A 108 ? 0.05298 0.15484 0.10413 -0.00317 -0.02562 -0.00632 135 LYS A CB  
1735 C CG  . LYS A 108 ? 0.06157 0.17600 0.11045 0.00903  -0.03103 -0.00844 135 LYS A CG  
1736 C CD  . LYS A 108 ? 0.11054 0.23950 0.16781 0.00714  -0.03754 -0.02103 135 LYS A CD  
1737 C CE  . LYS A 108 ? 0.24972 0.39158 0.29861 0.02322  -0.04502 -0.02520 135 LYS A CE  
1738 N NZ  . LYS A 108 ? 0.23947 0.40125 0.30320 0.02089  -0.05110 -0.04051 135 LYS A NZ  
1752 N N   . PHE A 109 ? 0.03246 0.10148 0.07271 -0.00965 -0.01065 0.01336  136 PHE A N   
1753 C CA  . PHE A 109 ? 0.03194 0.08745 0.06991 -0.01524 -0.00738 0.01353  136 PHE A CA  
1754 C C   . PHE A 109 ? 0.06316 0.11370 0.09394 -0.01563 -0.00907 0.01182  136 PHE A C   
1755 O O   . PHE A 109 ? 0.05534 0.09939 0.08551 -0.02145 -0.00890 0.00906  136 PHE A O   
1756 C CB  . PHE A 109 ? 0.03799 0.08501 0.07657 -0.01241 -0.00269 0.01672  136 PHE A CB  
1757 C CG  . PHE A 109 ? 0.04487 0.08343 0.08156 -0.01426 -0.00200 0.01474  136 PHE A CG  
1758 C CD1 . PHE A 109 ? 0.10433 0.14020 0.13863 -0.01676 -0.00280 0.01345  136 PHE A CD1 
1759 C CD2 . PHE A 109 ? 0.09305 0.12923 0.13281 -0.01281 0.00058  0.01568  136 PHE A CD2 
1760 C CE1 . PHE A 109 ? 0.07622 0.10868 0.10982 -0.01694 -0.00368 0.01449  136 PHE A CE1 
1761 C CE2 . PHE A 109 ? 0.10145 0.13537 0.14324 -0.01288 -0.00047 0.01322  136 PHE A CE2 
1762 C CZ  . PHE A 109 ? 0.07070 0.10191 0.10688 -0.01353 -0.00373 0.01273  136 PHE A CZ  
1772 N N   . ILE A 110 ? 0.07049 0.11959 0.09209 -0.00782 -0.00905 0.01354  137 ILE A N   
1773 C CA  A ILE A 110 ? 0.05685 0.10045 0.06820 -0.00618 -0.01043 0.01044  137 ILE A CA  
1774 C CA  B ILE A 110 ? 0.05740 0.10038 0.06855 -0.00601 -0.01005 0.01078  137 ILE A CA  
1775 C C   . ILE A 110 ? 0.06692 0.11283 0.06370 0.00562  -0.01184 0.01179  137 ILE A C   
1776 O O   . ILE A 110 ? 0.07179 0.11400 0.06347 0.01355  -0.00656 0.01916  137 ILE A O   
1777 C CB  A ILE A 110 ? 0.06707 0.09812 0.07770 -0.00720 -0.00440 0.01297  137 ILE A CB  
1778 C CB  B ILE A 110 ? 0.06597 0.09671 0.07681 -0.00646 -0.00345 0.01387  137 ILE A CB  
1779 C CG1 A ILE A 110 ? 0.11717 0.14226 0.11740 -0.00589 -0.00589 0.00846  137 ILE A CG1 
1780 C CG1 B ILE A 110 ? 0.12275 0.14670 0.12367 -0.00515 -0.00414 0.00998  137 ILE A CG1 
1781 C CG2 A ILE A 110 ? 0.09459 0.12099 0.10624 -0.00205 0.00402  0.01889  137 ILE A CG2 
1782 C CG2 B ILE A 110 ? 0.09909 0.12535 0.11029 -0.00085 0.00513  0.01999  137 ILE A CG2 
1783 C CD1 A ILE A 110 ? 0.09721 0.11299 0.09983 -0.00910 -0.00379 0.00715  137 ILE A CD1 
1784 C CD1 B ILE A 110 ? 0.10120 0.12319 0.10387 -0.01228 -0.00880 0.00333  137 ILE A CD1 
1807 N N   . ARG A 111 ? 0.07830 0.12865 0.06643 0.00803  -0.01852 0.00404  138 ARG A N   
1808 C CA  . ARG A 111 ? 0.09836 0.15131 0.06647 0.02309  -0.02165 0.00425  138 ARG A CA  
1809 C C   . ARG A 111 ? 0.12439 0.15875 0.07574 0.03114  -0.00972 0.01433  138 ARG A C   
1810 O O   . ARG A 111 ? 0.12203 0.14671 0.07581 0.02534  -0.00391 0.01426  138 ARG A O   
1811 C CB  . ARG A 111 ? 0.12741 0.19048 0.08984 0.02445  -0.03247 -0.00966 138 ARG A CB  
1812 C CG  . ARG A 111 ? 0.22397 0.30920 0.20360 0.01945  -0.04350 -0.02279 138 ARG A CG  
1813 C CD  . ARG A 111 ? 0.18856 0.27948 0.16528 0.02144  -0.05093 -0.03738 138 ARG A CD  
1814 N NE  . ARG A 111 ? 0.25188 0.34349 0.20672 0.04048  -0.05360 -0.03577 138 ARG A NE  
1815 C CZ  . ARG A 111 ? 0.24643 0.35101 0.20271 0.05034  -0.05846 -0.03876 138 ARG A CZ  
1816 N NH1 . ARG A 111 ? 0.22154 0.34023 0.20058 0.04252  -0.06090 -0.04351 138 ARG A NH1 
1817 N NH2 . ARG A 111 ? 0.29649 0.39876 0.22976 0.06966  -0.05971 -0.03691 138 ARG A NH2 
1831 N N   . ARG A 112 ? 0.12925 0.15779 0.06327 0.04563  -0.00466 0.02290  139 ARG A N   
1832 C CA  . ARG A 112 ? 0.14807 0.15592 0.06551 0.05344  0.01129  0.03331  139 ARG A CA  
1833 C C   . ARG A 112 ? 0.18007 0.18385 0.08024 0.05851  0.01047  0.02833  139 ARG A C   
1834 O O   . ARG A 112 ? 0.21011 0.20094 0.10933 0.05622  0.02317  0.03214  139 ARG A O   
1835 C CB  . ARG A 112 ? 0.17836 0.17619 0.08515 0.06620  0.01821  0.03991  139 ARG A CB  
1836 C CG  . ARG A 112 ? 0.20927 0.20545 0.13044 0.06272  0.02294  0.04526  139 ARG A CG  
1837 C CD  . ARG A 112 ? 0.29916 0.28335 0.20582 0.07762  0.03030  0.05053  139 ARG A CD  
1838 N NE  . ARG A 112 ? 0.40999 0.37397 0.30012 0.08671  0.04421  0.05549  139 ARG A NE  
1839 C CZ  . ARG A 112 ? 0.46885 0.41570 0.36821 0.08000  0.06099  0.05979  139 ARG A CZ  
1840 N NH1 . ARG A 112 ? 0.42333 0.37138 0.34914 0.06431  0.06546  0.05845  139 ARG A NH1 
1841 N NH2 . ARG A 112 ? 0.56609 0.49511 0.44947 0.08980  0.07338  0.06397  139 ARG A NH2 
1855 N N   . ASP A 113 ? 0.18787 0.20406 0.07930 0.06439  -0.00396 0.01741  140 ASP A N   
1856 C CA  . ASP A 113 ? 0.19391 0.20472 0.06948 0.06972  -0.00408 0.01181  140 ASP A CA  
1857 C C   . ASP A 113 ? 0.19044 0.20040 0.07408 0.05742  -0.00444 0.00538  140 ASP A C   
1858 O O   . ASP A 113 ? 0.26483 0.26450 0.13524 0.06137  0.00194  0.00450  140 ASP A O   
1859 C CB  . ASP A 113 ? 0.21304 0.23725 0.08002 0.07958  -0.01838 -0.00019 140 ASP A CB  
1860 C CG  . ASP A 113 ? 0.29913 0.34604 0.18727 0.06960  -0.03432 -0.01475 140 ASP A CG  
1861 O OD1 . ASP A 113 ? 0.26889 0.32007 0.17567 0.05430  -0.03595 -0.01755 140 ASP A OD1 
1862 O OD2 . ASP A 113 ? 0.30185 0.36287 0.18918 0.07801  -0.04442 -0.02444 140 ASP A OD2 
1867 N N   . PHE A 114 ? 0.15174 0.16919 0.06360 0.04117  -0.00927 0.00106  141 PHE A N   
1868 C CA  . PHE A 114 ? 0.13908 0.15027 0.06571 0.02883  -0.00681 -0.00308 141 PHE A CA  
1869 C C   . PHE A 114 ? 0.15055 0.15102 0.08503 0.02711  0.00767  0.00709  141 PHE A C   
1870 O O   . PHE A 114 ? 0.15981 0.15244 0.09308 0.02743  0.01409  0.00591  141 PHE A O   
1871 C CB  . PHE A 114 ? 0.12640 0.14592 0.07534 0.01500  -0.01456 -0.00925 141 PHE A CB  
1872 C CG  . PHE A 114 ? 0.13576 0.14557 0.09411 0.00535  -0.01298 -0.01365 141 PHE A CG  
1873 C CD1 . PHE A 114 ? 0.11387 0.11631 0.08243 0.00172  -0.00603 -0.00654 141 PHE A CD1 
1874 C CD2 . PHE A 114 ? 0.16074 0.16871 0.11769 0.00105  -0.01888 -0.02644 141 PHE A CD2 
1875 C CE1 . PHE A 114 ? 0.15853 0.15014 0.13099 -0.00289 -0.00504 -0.00970 141 PHE A CE1 
1876 C CE2 . PHE A 114 ? 0.14615 0.13994 0.10843 -0.00594 -0.01553 -0.02917 141 PHE A CE2 
1877 C CZ  . PHE A 114 ? 0.14946 0.13434 0.11736 -0.00657 -0.00880 -0.01974 141 PHE A CZ  
1887 N N   . LEU A 115 ? 0.15510 0.15678 0.09963 0.02574  0.01302  0.01518  142 LEU A N   
1888 C CA  . LEU A 115 ? 0.13722 0.13262 0.09548 0.02270  0.02654  0.02106  142 LEU A CA  
1889 C C   . LEU A 115 ? 0.16962 0.15348 0.11363 0.03127  0.04128  0.02554  142 LEU A C   
1890 O O   . LEU A 115 ? 0.21029 0.19210 0.16765 0.02782  0.05079  0.02419  142 LEU A O   
1891 C CB  . LEU A 115 ? 0.16093 0.15835 0.13023 0.02062  0.02979  0.02695  142 LEU A CB  
1892 C CG  . LEU A 115 ? 0.19389 0.19004 0.18645 0.01397  0.04063  0.02787  142 LEU A CG  
1893 C CD1 . LEU A 115 ? 0.22687 0.23230 0.23746 0.00594  0.03189  0.02025  142 LEU A CD1 
1894 C CD2 . LEU A 115 ? 0.21744 0.21177 0.21603 0.01373  0.04515  0.03301  142 LEU A CD2 
1906 N N   . LEU A 116 ? 0.17153 0.14847 0.08745 0.04417  0.04377  0.03029  143 LEU A N   
1907 C CA  . LEU A 116 ? 0.22714 0.19017 0.13132 0.05214  0.05769  0.03493  143 LEU A CA  
1908 C C   . LEU A 116 ? 0.27220 0.23363 0.16014 0.05738  0.05572  0.02868  143 LEU A C   
1909 O O   . LEU A 116 ? 0.36956 0.32009 0.24980 0.06323  0.06655  0.03201  143 LEU A O   
1910 C CB  . LEU A 116 ? 0.24938 0.20366 0.13578 0.06472  0.05865  0.04137  143 LEU A CB  
1911 C CG  . LEU A 116 ? 0.31080 0.26134 0.21170 0.06161  0.06424  0.04724  143 LEU A CG  
1912 C CD1 . LEU A 116 ? 0.43952 0.38279 0.31888 0.07768  0.06322  0.05216  143 LEU A CD1 
1913 C CD2 . LEU A 116 ? 0.33034 0.26950 0.25272 0.05359  0.08149  0.04973  143 LEU A CD2 
1925 N N   . ASP A 117 ? 0.25766 0.22822 0.14183 0.05491  0.04141  0.01841  144 ASP A N   
1926 C CA  . ASP A 117 ? 0.23439 0.20205 0.10522 0.05900  0.03867  0.00953  144 ASP A CA  
1927 C C   . ASP A 117 ? 0.23383 0.19953 0.12748 0.05088  0.04757  0.00800  144 ASP A C   
1928 O O   . ASP A 117 ? 0.19295 0.16497 0.11070 0.04008  0.04040  0.00419  144 ASP A O   
1929 C CB  . ASP A 117 ? 0.25474 0.23209 0.12445 0.05543  0.01827  -0.00396 144 ASP A CB  
1930 C CG  . ASP A 117 ? 0.38263 0.35537 0.23885 0.05914  0.01461  -0.01578 144 ASP A CG  
1931 O OD1 . ASP A 117 ? 0.41129 0.37414 0.26039 0.06428  0.02746  -0.01299 144 ASP A OD1 
1932 O OD2 . ASP A 117 ? 0.38336 0.36307 0.23885 0.05611  -0.00052 -0.02961 144 ASP A OD2 
1937 N N   . GLU A 118 ? 0.24165 0.19943 0.12885 0.05704  0.06284  0.01090  145 GLU A N   
1938 C CA  . GLU A 118 ? 0.27119 0.23159 0.18252 0.05169  0.07193  0.00776  145 GLU A CA  
1939 C C   . GLU A 118 ? 0.22676 0.18944 0.14385 0.04842  0.05827  -0.00315 145 GLU A C   
1940 O O   . GLU A 118 ? 0.23955 0.20763 0.18066 0.04395  0.05907  -0.00615 145 GLU A O   
1941 C CB  . GLU A 118 ? 0.27510 0.22952 0.18496 0.05558  0.08544  0.01092  145 GLU A CB  
1944 N N   . ALA A 119 ? 0.21780 0.17617 0.11436 0.05119  0.04570  -0.01035 146 ALA A N   
1945 C CA  . ALA A 119 ? 0.22209 0.17672 0.12475 0.04685  0.03576  -0.02038 146 ALA A CA  
1946 C C   . ALA A 119 ? 0.21317 0.17180 0.13929 0.03643  0.02839  -0.01905 146 ALA A C   
1947 O O   . ALA A 119 ? 0.19124 0.14385 0.12556 0.03514  0.02596  -0.02311 146 ALA A O   
1948 C CB  . ALA A 119 ? 0.30839 0.25864 0.19030 0.04865  0.02405  -0.03126 146 ALA A CB  
1954 N N   . ASN A 120 ? 0.17301 0.13994 0.10771 0.03105  0.02583  -0.01276 147 ASN A N   
1955 C CA  . ASN A 120 ? 0.17410 0.14418 0.12702 0.02284  0.01959  -0.01143 147 ASN A CA  
1956 C C   . ASN A 120 ? 0.15718 0.13460 0.13092 0.02330  0.02571  -0.00789 147 ASN A C   
1957 O O   . ASN A 120 ? 0.16351 0.14281 0.14852 0.02013  0.01996  -0.00782 147 ASN A O   
1958 C CB  . ASN A 120 ? 0.13007 0.10703 0.08336 0.01724  0.01306  -0.00865 147 ASN A CB  
1959 C CG  . ASN A 120 ? 0.19333 0.16908 0.13239 0.01660  0.00444  -0.01685 147 ASN A CG  
1960 O OD1 . ASN A 120 ? 0.21402 0.18093 0.15109 0.01346  0.00073  -0.02548 147 ASN A OD1 
1961 N ND2 . ASN A 120 ? 0.19094 0.17519 0.12044 0.02067  0.00144  -0.01576 147 ASN A ND2 
1968 N N   . GLY A 121 ? 0.16293 0.11867 0.11214 0.03530  -0.00393 -0.01210 148 GLY A N   
1969 C CA  . GLY A 121 ? 0.20214 0.17092 0.17320 0.04568  -0.00046 -0.00427 148 GLY A CA  
1970 C C   . GLY A 121 ? 0.17800 0.17160 0.17565 0.03915  -0.00628 -0.00293 148 GLY A C   
1971 O O   . GLY A 121 ? 0.12934 0.13257 0.14013 0.04329  -0.00634 -0.00016 148 GLY A O   
1975 N N   . LEU A 122 ? 0.09806 0.10351 0.10116 0.03238  -0.01162 -0.00550 149 LEU A N   
1976 C CA  . LEU A 122 ? 0.07170 0.09425 0.09358 0.02759  -0.01627 -0.00498 149 LEU A CA  
1977 C C   . LEU A 122 ? 0.12095 0.14951 0.15361 0.03081  -0.01187 -0.00059 149 LEU A C   
1978 O O   . LEU A 122 ? 0.09015 0.12668 0.13355 0.02682  -0.01429 -0.00066 149 LEU A O   
1979 C CB  . LEU A 122 ? 0.09210 0.12682 0.11165 0.02060  -0.02387 -0.01192 149 LEU A CB  
1980 C CG  . LEU A 122 ? 0.12398 0.15373 0.13124 0.00710  -0.02506 -0.01999 149 LEU A CG  
1981 C CD1 . LEU A 122 ? 0.16975 0.22901 0.18334 -0.00233 -0.03130 -0.02996 149 LEU A CD1 
1982 C CD2 . LEU A 122 ? 0.17813 0.18870 0.18134 0.00407  -0.02112 -0.01620 149 LEU A CD2 
1994 N N   . LEU A 123 ? 0.11425 0.13365 0.13876 0.03584  -0.00326 0.00245  150 LEU A N   
1995 C CA  . LEU A 123 ? 0.08436 0.09922 0.11028 0.03320  0.00664  0.00565  150 LEU A CA  
1996 C C   . LEU A 123 ? 0.12423 0.14683 0.15856 0.03196  0.01870  0.00652  150 LEU A C   
1997 O O   . LEU A 123 ? 0.20926 0.21776 0.22928 0.03229  0.03106  0.00888  150 LEU A O   
1998 C CB  . LEU A 123 ? 0.13262 0.12417 0.13025 0.04116  0.00893  0.00803  150 LEU A CB  
1999 C CG  . LEU A 123 ? 0.11335 0.10789 0.10283 0.04847  -0.00291 0.00549  150 LEU A CG  
2000 C CD1 . LEU A 123 ? 0.20406 0.17814 0.15883 0.06569  -0.00225 0.00767  150 LEU A CD1 
2001 C CD2 . LEU A 123 ? 0.16206 0.15764 0.16195 0.04208  -0.00272 0.00544  150 LEU A CD2 
2013 N N   . PRO A 124 ? 0.10785 0.15497 0.16313 0.03263  0.01635  0.00417  151 PRO A N   
2014 C CA  . PRO A 124 ? 0.12005 0.18998 0.18880 0.03489  0.02738  0.00256  151 PRO A CA  
2015 C C   . PRO A 124 ? 0.18243 0.26452 0.26269 0.01722  0.04095  -0.00037 151 PRO A C   
2016 O O   . PRO A 124 ? 0.10336 0.19093 0.19311 0.00373  0.03863  -0.00348 151 PRO A O   
2017 C CB  . PRO A 124 ? 0.15106 0.24408 0.23428 0.04263  0.01774  -0.00059 151 PRO A CB  
2018 C CG  . PRO A 124 ? 0.16017 0.24438 0.24292 0.03636  0.00604  -0.00052 151 PRO A CG  
2019 C CD  . PRO A 124 ? 0.15471 0.21306 0.22073 0.03289  0.00445  0.00226  151 PRO A CD  
2027 N N   . ASP A 125 ? 0.15373 0.23545 0.22835 0.01490  0.05754  -0.00032 152 ASP A N   
2028 C CA  . ASP A 125 ? 0.14370 0.22617 0.21920 -0.00786 0.07689  -0.00400 152 ASP A CA  
2029 C C   . ASP A 125 ? 0.15365 0.18560 0.19808 -0.01705 0.07875  0.00021  152 ASP A C   
2030 O O   . ASP A 125 ? 0.16447 0.18806 0.20566 -0.03953 0.09124  -0.00423 152 ASP A O   
2031 C CB  . ASP A 125 ? 0.24933 0.38524 0.36020 -0.02227 0.07588  -0.01364 152 ASP A CB  
2032 C CG  . ASP A 125 ? 0.46282 0.63819 0.59272 -0.00655 0.07284  -0.01452 152 ASP A CG  
2033 O OD1 . ASP A 125 ? 0.47941 0.67763 0.62541 0.00217  0.05752  -0.01755 152 ASP A OD1 
2034 O OD2 . ASP A 125 ? 0.52194 0.69764 0.64496 -0.00240 0.08712  -0.01306 152 ASP A OD2 
2039 N N   . ASP A 126 ? 0.16214 0.16124 0.18077 0.00107  0.06656  0.00720  153 ASP A N   
2040 C CA  . ASP A 126 ? 0.16852 0.12354 0.15329 0.00397  0.06527  0.01147  153 ASP A CA  
2041 C C   . ASP A 126 ? 0.17264 0.13263 0.16922 -0.00641 0.05872  0.00758  153 ASP A C   
2042 O O   . ASP A 126 ? 0.20239 0.12219 0.16798 -0.00795 0.06452  0.00959  153 ASP A O   
2043 C CB  . ASP A 126 ? 0.31872 0.22497 0.26105 -0.00192 0.08775  0.01562  153 ASP A CB  
2044 C CG  . ASP A 126 ? 0.54239 0.39858 0.43631 0.01851  0.08282  0.02249  153 ASP A CG  
2045 O OD1 . ASP A 126 ? 0.40629 0.28025 0.30816 0.03683  0.06105  0.02225  153 ASP A OD1 
2046 O OD2 . ASP A 126 ? 0.54431 0.34473 0.38992 0.01707  0.10121  0.02713  153 ASP A OD2 
2051 N N   . LYS A 127 ? 0.11965 0.12277 0.15363 -0.00997 0.04675  0.00236  154 LYS A N   
2052 C CA  . LYS A 127 ? 0.11581 0.12502 0.15969 -0.01804 0.03881  -0.00175 154 LYS A CA  
2053 C C   . LYS A 127 ? 0.08781 0.10595 0.13707 -0.00211 0.01954  0.00018  154 LYS A C   
2054 O O   . LYS A 127 ? 0.09751 0.13374 0.15771 0.00717  0.01185  0.00096  154 LYS A O   
2055 C CB  . LYS A 127 ? 0.09336 0.14784 0.17229 -0.03519 0.04018  -0.01103 154 LYS A CB  
2056 C CG  . LYS A 127 ? 0.13006 0.18986 0.21049 -0.05842 0.06182  -0.01737 154 LYS A CG  
2057 C CD  . LYS A 127 ? 0.23005 0.33476 0.33501 -0.06734 0.05285  -0.02634 154 LYS A CD  
2058 C CE  . LYS A 127 ? 0.20894 0.32606 0.31491 -0.08544 0.06806  -0.03361 154 LYS A CE  
2059 N NZ  . LYS A 127 ? 0.23688 0.29886 0.30552 -0.10567 0.08877  -0.03491 154 LYS A NZ  
2073 N N   . LEU A 128 ? 0.08755 0.09054 0.12561 -0.00047 0.01421  -0.00010 155 LEU A N   
2074 C CA  . LEU A 128 ? 0.06470 0.08204 0.11023 0.00912  -0.00104 -0.00072 155 LEU A CA  
2075 C C   . LEU A 128 ? 0.06442 0.09991 0.12878 -0.00142 -0.00583 -0.00542 155 LEU A C   
2076 O O   . LEU A 128 ? 0.07775 0.09976 0.13481 -0.01108 -0.00063 -0.00844 155 LEU A O   
2077 C CB  . LEU A 128 ? 0.08167 0.07919 0.10235 0.02306  -0.00412 0.00077  155 LEU A CB  
2078 C CG  . LEU A 128 ? 0.11182 0.13278 0.14355 0.02825  -0.01673 -0.00276 155 LEU A CG  
2079 C CD1 . LEU A 128 ? 0.10079 0.13968 0.14089 0.02529  -0.02090 -0.00335 155 LEU A CD1 
2080 C CD2 . LEU A 128 ? 0.13740 0.15094 0.14730 0.04625  -0.01963 -0.00347 155 LEU A CD2 
2092 N N   . THR A 129 ? 0.06040 0.11822 0.13827 0.00069  -0.01386 -0.00596 156 THR A N   
2093 C CA  . THR A 129 ? 0.03327 0.09693 0.10537 -0.00432 -0.01626 -0.00615 156 THR A CA  
2094 C C   . THR A 129 ? 0.02875 0.08341 0.08516 -0.00019 -0.01886 -0.00333 156 THR A C   
2095 O O   . THR A 129 ? 0.05462 0.10622 0.10492 0.00323  -0.01896 -0.00124 156 THR A O   
2096 C CB  . THR A 129 ? 0.05539 0.13510 0.13368 -0.00362 -0.01654 -0.00298 156 THR A CB  
2097 O OG1 . THR A 129 ? 0.06553 0.15953 0.16066 -0.01172 -0.01082 -0.00794 156 THR A OG1 
2098 C CG2 . THR A 129 ? 0.06377 0.14661 0.14131 -0.00491 -0.02182 -0.00227 156 THR A CG2 
2106 N N   . LEU A 130 ? 0.06936 0.12053 0.12427 -0.00258 -0.02064 -0.00579 157 LEU A N   
2107 C CA  . LEU A 130 ? 0.05755 0.10512 0.10405 -0.00083 -0.02154 -0.00483 157 LEU A CA  
2108 C C   . LEU A 130 ? 0.08365 0.13404 0.13004 -0.00344 -0.02400 -0.00564 157 LEU A C   
2109 O O   . LEU A 130 ? 0.10069 0.15616 0.15134 -0.00783 -0.02570 -0.00727 157 LEU A O   
2110 C CB  . LEU A 130 ? 0.04531 0.09020 0.09140 0.00352  -0.02331 -0.00802 157 LEU A CB  
2111 C CG  . LEU A 130 ? 0.11930 0.16327 0.16423 0.01246  -0.02393 -0.00854 157 LEU A CG  
2112 C CD1 . LEU A 130 ? 0.11415 0.15275 0.15032 0.02757  -0.02725 -0.01297 157 LEU A CD1 
2113 C CD2 . LEU A 130 ? 0.12084 0.16942 0.16154 0.00995  -0.02189 -0.00548 157 LEU A CD2 
2125 N N   . PHE A 131 ? 0.07714 0.12615 0.11875 -0.00255 -0.02502 -0.00471 158 PHE A N   
2126 C CA  . PHE A 131 ? 0.10657 0.15719 0.14522 -0.00331 -0.02858 -0.00495 158 PHE A CA  
2127 C C   . PHE A 131 ? 0.11304 0.16102 0.14740 -0.00576 -0.02835 -0.00618 158 PHE A C   
2128 O O   . PHE A 131 ? 0.08518 0.13323 0.12010 -0.00688 -0.02650 -0.00657 158 PHE A O   
2129 C CB  . PHE A 131 ? 0.09430 0.14480 0.12855 0.00113  -0.03243 -0.00317 158 PHE A CB  
2130 C CG  . PHE A 131 ? 0.13395 0.18962 0.17364 0.00695  -0.03355 -0.00100 158 PHE A CG  
2131 C CD1 . PHE A 131 ? 0.14117 0.20840 0.18810 0.00894  -0.03741 -0.00230 158 PHE A CD1 
2132 C CD2 . PHE A 131 ? 0.14444 0.19563 0.18344 0.01133  -0.03250 -0.00046 158 PHE A CD2 
2133 C CE1 . PHE A 131 ? 0.13863 0.21693 0.19372 0.01541  -0.03855 -0.00287 158 PHE A CE1 
2134 C CE2 . PHE A 131 ? 0.23281 0.28962 0.27701 0.01869  -0.03289 0.00121  158 PHE A CE2 
2135 C CZ  . PHE A 131 ? 0.17877 0.25059 0.23217 0.02046  -0.03544 0.00012  158 PHE A CZ  
2145 N N   . CYS A 132 ? 0.09362 0.14156 0.12492 -0.00664 -0.03133 -0.00818 159 CYS A N   
2146 C CA  . CYS A 132 ? 0.08787 0.13618 0.11561 -0.00678 -0.03209 -0.01275 159 CYS A CA  
2147 C C   . CYS A 132 ? 0.09879 0.14536 0.11579 -0.00649 -0.03780 -0.01522 159 CYS A C   
2148 O O   . CYS A 132 ? 0.11818 0.16549 0.13389 -0.00502 -0.04168 -0.01484 159 CYS A O   
2149 C CB  . CYS A 132 ? 0.08977 0.13961 0.11921 -0.00358 -0.03167 -0.01813 159 CYS A CB  
2150 S SG  . CYS A 132 ? 0.15289 0.21432 0.17710 0.00017  -0.03101 -0.02681 159 CYS A SG  
2156 N N   . GLU A 133 ? 0.07947 0.12635 0.08456 -0.00868 -0.03806 -0.01971 160 GLU A N   
2157 C CA  . GLU A 133 ? 0.10856 0.14225 0.08730 -0.00644 -0.03991 -0.02051 160 GLU A CA  
2158 C C   . GLU A 133 ? 0.10224 0.14106 0.07682 -0.01191 -0.03153 -0.02541 160 GLU A C   
2159 O O   . GLU A 133 ? 0.11633 0.16956 0.10014 -0.01954 -0.02182 -0.02848 160 GLU A O   
2160 C CB  . GLU A 133 ? 0.19882 0.20411 0.14794 -0.00666 -0.03357 -0.01445 160 GLU A CB  
2163 N N   . VAL A 134 ? 0.14287 0.17611 0.10479 -0.00732 -0.03549 -0.02807 161 VAL A N   
2164 C CA  . VAL A 134 ? 0.16961 0.20571 0.12268 -0.00916 -0.02647 -0.03282 161 VAL A CA  
2165 C C   . VAL A 134 ? 0.18401 0.19622 0.10123 -0.00881 -0.02345 -0.03073 161 VAL A C   
2166 O O   . VAL A 134 ? 0.20936 0.20796 0.11040 -0.00061 -0.03495 -0.02856 161 VAL A O   
2167 C CB  . VAL A 134 ? 0.15773 0.19870 0.11789 -0.00240 -0.03094 -0.03893 161 VAL A CB  
2168 C CG1 . VAL A 134 ? 0.15956 0.20656 0.10999 0.00087  -0.01993 -0.04398 161 VAL A CG1 
2169 C CG2 . VAL A 134 ? 0.15929 0.21034 0.14255 0.00007  -0.03347 -0.03918 161 VAL A CG2 
2179 N N   . SER A 135 ? 0.17864 0.18935 0.08189 -0.01699 -0.00755 -0.03254 162 SER A N   
2180 C CA  . SER A 135 ? 0.22091 0.20239 0.08243 -0.01702 -0.00079 -0.03034 162 SER A CA  
2181 C C   . SER A 135 ? 0.22685 0.22252 0.08699 -0.01758 0.00894  -0.03772 162 SER A C   
2182 O O   . SER A 135 ? 0.21569 0.24073 0.09466 -0.02626 0.02268  -0.04336 162 SER A O   
2183 C CB  . SER A 135 ? 0.31299 0.26682 0.14497 -0.03074 0.01617  -0.02544 162 SER A CB  
2184 O OG  . SER A 135 ? 0.52614 0.46581 0.35849 -0.02884 0.01014  -0.01941 162 SER A OG  
2190 N N   . VAL A 136 ? 0.24843 0.22726 0.08472 -0.00765 0.00236  -0.03912 163 VAL A N   
2191 C CA  . VAL A 136 ? 0.27435 0.26065 0.10318 -0.00426 0.01125  -0.04632 163 VAL A CA  
2192 C C   . VAL A 136 ? 0.35248 0.30817 0.13440 -0.00594 0.02139  -0.04387 163 VAL A C   
2193 O O   . VAL A 136 ? 0.36437 0.29581 0.12632 0.00155  0.00954  -0.03780 163 VAL A O   
2194 C CB  . VAL A 136 ? 0.35720 0.34180 0.19021 0.00763  -0.00305 -0.05240 163 VAL A CB  
2195 C CG1 . VAL A 136 ? 0.34025 0.32246 0.15414 0.01482  0.00791  -0.05963 163 VAL A CG1 
2196 C CG2 . VAL A 136 ? 0.31710 0.32049 0.18572 0.00975  -0.00947 -0.05400 163 VAL A CG2 
2206 N N   . VAL A 137 ? 0.51718 0.48607 0.29777 -0.01236 0.04153  -0.04730 164 VAL A N   
2207 C CA  . VAL A 137 ? 0.57114 0.51521 0.31913 -0.01481 0.05303  -0.04277 164 VAL A CA  
2208 C C   . VAL A 137 ? 0.57953 0.50179 0.30347 -0.00008 0.03884  -0.04238 164 VAL A C   
2209 O O   . VAL A 137 ? 0.61237 0.54627 0.34015 0.00707  0.03744  -0.04996 164 VAL A O   
2210 C CB  . VAL A 137 ? 0.65731 0.63097 0.41722 -0.02350 0.07579  -0.04896 164 VAL A CB  
2211 C CG1 . VAL A 137 ? 0.69158 0.68519 0.47441 -0.04640 0.09040  -0.04943 164 VAL A CG1 
2212 C CG2 . VAL A 137 ? 0.60810 0.61625 0.39184 -0.00811 0.07290  -0.05863 164 VAL A CG2 
2222 N N   . ASN B 1   ? 0.56627 0.67279 0.51740 -0.08400 -0.16737 -0.15660 91  ASN B N   
2223 C CA  . ASN B 1   ? 0.60727 0.72216 0.56013 -0.06304 -0.17285 -0.13977 91  ASN B CA  
2224 C C   . ASN B 1   ? 0.67403 0.78644 0.64786 -0.06196 -0.15292 -0.13202 91  ASN B C   
2225 O O   . ASN B 1   ? 0.59931 0.69030 0.56757 -0.07452 -0.13385 -0.13419 91  ASN B O   
2226 C CB  . ASN B 1   ? 0.54976 0.63505 0.44897 -0.05217 -0.17786 -0.12557 91  ASN B CB  
2227 C CG  . ASN B 1   ? 0.63189 0.72566 0.51155 -0.04810 -0.19990 -0.12971 91  ASN B CG  
2228 O OD1 . ASN B 1   ? 0.65017 0.77317 0.55671 -0.05232 -0.21482 -0.14332 91  ASN B OD1 
2229 N ND2 . ASN B 1   ? 0.68179 0.75158 0.51582 -0.03916 -0.20098 -0.11887 91  ASN B ND2 
2235 N N   . ASP B 2   ? 0.60424 0.73702 0.60133 -0.04629 -0.15688 -0.12348 92  ASP B N   
2236 C CA  . ASP B 2   ? 0.55964 0.69073 0.57314 -0.04431 -0.13997 -0.11464 92  ASP B CA  
2237 C C   . ASP B 2   ? 0.58541 0.68262 0.55709 -0.03271 -0.13704 -0.09626 92  ASP B C   
2238 O O   . ASP B 2   ? 0.55187 0.64742 0.51947 -0.01568 -0.14142 -0.08264 92  ASP B O   
2239 C CB  . ASP B 2   ? 0.68351 0.84833 0.73825 -0.03330 -0.14372 -0.11541 92  ASP B CB  
2240 C CG  . ASP B 2   ? 0.71031 0.88323 0.79420 -0.04209 -0.12192 -0.11490 92  ASP B CG  
2241 O OD1 . ASP B 2   ? 0.82381 0.99438 0.91734 -0.06237 -0.10503 -0.12328 92  ASP B OD1 
2242 O OD2 . ASP B 2   ? 0.64335 0.82092 0.73680 -0.02937 -0.12018 -0.10537 92  ASP B OD2 
2247 N N   . ASP B 3   ? 0.40792 0.47511 0.34717 -0.04227 -0.12713 -0.09686 93  ASP B N   
2248 C CA  . ASP B 3   ? 0.46040 0.49380 0.35603 -0.03208 -0.12129 -0.08114 93  ASP B CA  
2249 C C   . ASP B 3   ? 0.37310 0.38129 0.26200 -0.04144 -0.09632 -0.07613 93  ASP B C   
2250 O O   . ASP B 3   ? 0.43188 0.40698 0.28450 -0.04111 -0.08520 -0.06899 93  ASP B O   
2251 C CB  . ASP B 3   ? 0.46833 0.48554 0.32527 -0.02951 -0.12846 -0.08112 93  ASP B CB  
2252 C CG  . ASP B 3   ? 0.70715 0.71465 0.55230 -0.04686 -0.12261 -0.09847 93  ASP B CG  
2253 O OD1 . ASP B 3   ? 0.54919 0.55628 0.41580 -0.06202 -0.11476 -0.10912 93  ASP B OD1 
2254 O OD2 . ASP B 3   ? 0.72900 0.72384 0.54300 -0.04554 -0.12568 -0.10106 93  ASP B OD2 
2259 N N   . ASP B 4   ? 0.33741 0.36088 0.26369 -0.05019 -0.08192 -0.07651 94  ASP B N   
2260 C CA  . ASP B 4   ? 0.26233 0.26163 0.18567 -0.05683 -0.05535 -0.06545 94  ASP B CA  
2261 C C   . ASP B 4   ? 0.25282 0.23246 0.15288 -0.04241 -0.04783 -0.04395 94  ASP B C   
2262 O O   . ASP B 4   ? 0.24464 0.23244 0.14089 -0.03002 -0.05866 -0.03550 94  ASP B O   
2263 C CB  . ASP B 4   ? 0.24900 0.26692 0.21059 -0.06689 -0.04384 -0.06675 94  ASP B CB  
2264 C CG  . ASP B 4   ? 0.44527 0.48139 0.43179 -0.08656 -0.04446 -0.08943 94  ASP B CG  
2265 O OD1 . ASP B 4   ? 0.44076 0.46385 0.41134 -0.09586 -0.04634 -0.10220 94  ASP B OD1 
2266 O OD2 . ASP B 4   ? 0.50372 0.56798 0.52590 -0.09432 -0.04183 -0.09610 94  ASP B OD2 
2271 N N   . VAL B 5   ? 0.25565 0.20958 0.14233 -0.04423 -0.02816 -0.03575 95  VAL B N   
2272 C CA  . VAL B 5   ? 0.24754 0.18860 0.11640 -0.03252 -0.01988 -0.01843 95  VAL B CA  
2273 C C   . VAL B 5   ? 0.21539 0.17377 0.10570 -0.02774 -0.01834 -0.00613 95  VAL B C   
2274 O O   . VAL B 5   ? 0.20927 0.16604 0.08725 -0.01871 -0.01927 0.00509  95  VAL B O   
2275 C CB  . VAL B 5   ? 0.30364 0.21942 0.16072 -0.03327 -0.00021 -0.01486 95  VAL B CB  
2276 C CG1 . VAL B 5   ? 0.28810 0.19945 0.13573 -0.02260 0.00957  0.00036  95  VAL B CG1 
2277 C CG2 . VAL B 5   ? 0.41879 0.31493 0.25021 -0.03794 -0.00125 -0.02872 95  VAL B CG2 
2287 N N   . GLN B 6   ? 0.19889 0.17117 0.11831 -0.03579 -0.01387 -0.00878 96  GLN B N   
2288 C CA  . GLN B 6   ? 0.17187 0.16125 0.11163 -0.03367 -0.01194 -0.00006 96  GLN B CA  
2289 C C   . GLN B 6   ? 0.16530 0.17886 0.13606 -0.04364 -0.01681 -0.01372 96  GLN B C   
2290 O O   . GLN B 6   ? 0.17957 0.19237 0.15729 -0.05594 -0.01477 -0.02710 96  GLN B O   
2291 C CB  . GLN B 6   ? 0.16083 0.13959 0.10206 -0.03496 0.00521  0.01306  96  GLN B CB  
2292 C CG  . GLN B 6   ? 0.16954 0.12871 0.08936 -0.02744 0.01354  0.02212  96  GLN B CG  
2293 C CD  . GLN B 6   ? 0.16698 0.12172 0.09301 -0.02641 0.02599  0.03437  96  GLN B CD  
2294 O OE1 . GLN B 6   ? 0.22496 0.16450 0.15220 -0.03138 0.03403  0.03363  96  GLN B OE1 
2295 N NE2 . GLN B 6   ? 0.13662 0.10995 0.07451 -0.01773 0.02413  0.04262  96  GLN B NE2 
2304 N N   . LYS B 7   ? 0.14574 0.18030 0.13591 -0.03992 -0.02048 -0.01154 97  LYS B N   
2305 C CA  . LYS B 7   ? 0.13652 0.19702 0.16100 -0.05062 -0.01894 -0.02422 97  LYS B CA  
2306 C C   . LYS B 7   ? 0.11835 0.18009 0.15173 -0.05432 -0.00431 -0.01359 97  LYS B C   
2307 O O   . LYS B 7   ? 0.12829 0.18757 0.15320 -0.04382 -0.00508 -0.00113 97  LYS B O   
2308 C CB  . LYS B 7   ? 0.13473 0.22549 0.18026 -0.04204 -0.03851 -0.03707 97  LYS B CB  
2309 C CG  . LYS B 7   ? 0.17110 0.26223 0.20370 -0.03585 -0.05811 -0.04700 97  LYS B CG  
2310 C CD  . LYS B 7   ? 0.27998 0.38026 0.32615 -0.05307 -0.05652 -0.06557 97  LYS B CD  
2311 C CE  . LYS B 7   ? 0.31090 0.45043 0.40230 -0.06147 -0.05808 -0.08358 97  LYS B CE  
2312 N NZ  . LYS B 7   ? 0.42045 0.56885 0.51796 -0.06746 -0.06672 -0.09910 97  LYS B NZ  
2326 N N   . ALA B 8   ? 0.13474 0.19895 0.18264 -0.07114 0.00932  -0.01968 98  ALA B N   
2327 C CA  . ALA B 8   ? 0.16507 0.22223 0.21142 -0.07633 0.02433  -0.00820 98  ALA B CA  
2328 C C   . ALA B 8   ? 0.12693 0.20534 0.19447 -0.07083 0.02243  -0.01296 98  ALA B C   
2329 O O   . ALA B 8   ? 0.15851 0.22429 0.21844 -0.06686 0.02977  -0.00367 98  ALA B O   
2330 C CB  . ALA B 8   ? 0.25311 0.28596 0.28956 -0.08324 0.03574  -0.00806 98  ALA B CB  
2336 N N   . ASP B 9   ? 0.10933 0.21770 0.20166 -0.06730 0.00999  -0.02767 99  ASP B N   
2337 C CA  . ASP B 9   ? 0.09006 0.21552 0.20216 -0.06105 0.00932  -0.03328 99  ASP B CA  
2338 C C   . ASP B 9   ? 0.07573 0.19562 0.17822 -0.05179 0.01058  -0.02000 99  ASP B C   
2339 O O   . ASP B 9   ? 0.06905 0.18769 0.15911 -0.04258 0.00115  -0.01242 99  ASP B O   
2340 C CB  . ASP B 9   ? 0.09343 0.24751 0.23006 -0.05214 -0.00819 -0.04993 99  ASP B CB  
2341 C CG  . ASP B 9   ? 0.35026 0.51075 0.49508 -0.06214 -0.00980 -0.06399 99  ASP B CG  
2342 O OD1 . ASP B 9   ? 0.41026 0.57936 0.56941 -0.07109 0.00003  -0.07419 99  ASP B OD1 
2343 O OD2 . ASP B 9   ? 0.29272 0.44769 0.42603 -0.06251 -0.01978 -0.06537 99  ASP B OD2 
2348 N N   . VAL B 10  ? 0.07805 0.18979 0.17865 -0.05268 0.02070  -0.01606 100 VAL B N   
2349 C CA  . VAL B 10  ? 0.06932 0.17313 0.16065 -0.04526 0.02294  -0.00601 100 VAL B CA  
2350 C C   . VAL B 10  ? 0.06647 0.19484 0.18189 -0.03835 0.01778  -0.01753 100 VAL B C   
2351 O O   . VAL B 10  ? 0.07707 0.22085 0.21209 -0.04080 0.01893  -0.03140 100 VAL B O   
2352 C CB  . VAL B 10  ? 0.07665 0.15709 0.15021 -0.04705 0.03239  0.00383  100 VAL B CB  
2353 C CG1 . VAL B 10  ? 0.07128 0.14561 0.13880 -0.04032 0.03383  0.00925  100 VAL B CG1 
2354 C CG2 . VAL B 10  ? 0.12545 0.18353 0.17884 -0.04594 0.03408  0.01323  100 VAL B CG2 
2364 N N   . SER B 11  ? 0.05725 0.18963 0.17093 -0.02817 0.01226  -0.01342 101 SER B N   
2365 C CA  . SER B 11  ? 0.05873 0.20960 0.19458 -0.01475 0.00497  -0.02449 101 SER B CA  
2366 C C   . SER B 11  ? 0.05758 0.19216 0.17404 -0.00918 0.00924  -0.01330 101 SER B C   
2367 O O   . SER B 11  ? 0.05563 0.16826 0.14174 -0.01611 0.01563  0.00283  101 SER B O   
2368 C CB  . SER B 11  ? 0.06668 0.23022 0.21400 0.00391  -0.01866 -0.03320 101 SER B CB  
2369 O OG  . SER B 11  ? 0.09619 0.22809 0.20335 0.01256  -0.02807 -0.01633 101 SER B OG  
2375 N N   . SER B 12  ? 0.06560 0.20534 0.19604 0.00436  0.00539  -0.02169 102 SER B N   
2376 C CA  . SER B 12  ? 0.08113 0.19454 0.18635 0.01007  0.00943  -0.01153 102 SER B CA  
2377 C C   . SER B 12  ? 0.10678 0.20321 0.20219 0.03501  -0.00972 -0.01123 102 SER B C   
2378 O O   . SER B 12  ? 0.16674 0.28287 0.28937 0.05052  -0.02445 -0.02495 102 SER B O   
2379 C CB  . SER B 12  ? 0.09638 0.22144 0.21975 0.00202  0.02664  -0.02144 102 SER B CB  
2380 O OG  . SER B 12  ? 0.10268 0.20261 0.20535 0.00895  0.02978  -0.01608 102 SER B OG  
2386 N N   . THR B 13  ? 0.12575 0.18485 0.18067 0.03859  -0.01005 0.00401  103 THR B N   
2387 C CA  . THR B 13  ? 0.16496 0.19707 0.20001 0.06157  -0.02745 0.00664  103 THR B CA  
2388 C C   . THR B 13  ? 0.22612 0.25400 0.27554 0.07657  -0.02713 -0.00337 103 THR B C   
2389 O O   . THR B 13  ? 0.35498 0.36833 0.40009 0.10127  -0.04555 -0.00605 103 THR B O   
2390 C CB  . THR B 13  ? 0.20913 0.19820 0.19222 0.05772  -0.02516 0.02513  103 THR B CB  
2391 O OG1 . THR B 13  ? 0.24481 0.21942 0.21528 0.04530  -0.00682 0.02944  103 THR B OG1 
2392 C CG2 . THR B 13  ? 0.24691 0.23974 0.21662 0.04402  -0.02307 0.03397  103 THR B CG2 
2400 N N   . GLY B 14  ? 0.24585 0.28324 0.30942 0.06363  -0.00736 -0.00911 104 GLY B N   
2401 C CA  . GLY B 14  ? 0.41307 0.43876 0.48396 0.07723  -0.00393 -0.01821 104 GLY B CA  
2402 C C   . GLY B 14  ? 0.45964 0.43076 0.48311 0.09064  -0.01120 -0.00510 104 GLY B C   
2403 O O   . GLY B 14  ? 0.60945 0.56119 0.63292 0.11499  -0.02138 -0.01075 104 GLY B O   
# 
