data_9B4Q
# 
_entry.id   9B4Q 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.401 
_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   9B4Q         pdb_00009b4q 10.2210/pdb9b4q/pdb 
WWPDB D_1000282566 ?            ?                   
# 
_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       2025-01-22 
# 
_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                        9B4Q 
_pdbx_database_status.recvd_initial_deposition_date   2024-03-21 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              dhirendra.simanshu@nih.gov 
_pdbx_contact_author.name_first         Dhirendra 
_pdbx_contact_author.name_last          Simanshu 
_pdbx_contact_author.name_mi            K 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-9717-4618 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Czyzyk, D.J.'   1 ? 
'Simanshu, D.K.' 2 ? 
# 
_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            'Nat Commun' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            ? 
_citation.journal_id_ISSN           2041-1723 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            16 
_citation.language                  ? 
_citation.page_first                525 
_citation.page_last                 525 
_citation.title                     
'Structural insights into isoform-specific RAS-PI3K alpha interactions and the role of RAS in PI3K alpha activation.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1038/s41467-024-55766-x 
_citation.pdbx_database_id_PubMed   39788953 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Czyzyk, D.'     1  0000-0002-2398-5784 
primary 'Yan, W.'        2  ?                   
primary 'Messing, S.'    3  0000-0001-8991-2097 
primary 'Gillette, W.'   4  ?                   
primary 'Tsuji, T.'      5  ?                   
primary 'Yamaguchi, M.'  6  ?                   
primary 'Furuzono, S.'   7  ?                   
primary 'Turner, D.M.'   8  ?                   
primary 'Esposito, D.'   9  0000-0002-9987-1687 
primary 'Nissley, D.V.'  10 0000-0001-7523-116X 
primary 'McCormick, F.'  11 0000-0002-6619-7120 
primary 'Simanshu, D.K.' 12 0000-0002-9717-4618 
# 
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 'Ras-related protein R-Ras2'                  19553.162 1   3.6.5.- ? ? ? 
2 non-polymer syn 'PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER' 522.196   1   ?       ? ? ? 
3 non-polymer nat 'MAGNESIUM ION'                               24.305    1   ?       ? ? ? 
4 water       nat water                                         18.015    175 ?       ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'Ras-like protein TC21,Teratocarcinoma oncogene' 
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;GQEKYRLVVVGGGGVGKSALTIQFIQSYFVTDYDPTIEDSYTKQCVIDDRAARLDILDTAGQEEFGAMREQYMRTGEGFL
LVFSVTDRGSFEEIYKFQRQILRVKDRDEFPMILIGNKADLDHQRQVTQEEGQQLARQLKVTYMEASAKIRMNVDQAFHE
LVRVIRKFQ
;
_entity_poly.pdbx_seq_one_letter_code_can   
;GQEKYRLVVVGGGGVGKSALTIQFIQSYFVTDYDPTIEDSYTKQCVIDDRAARLDILDTAGQEEFGAMREQYMRTGEGFL
LVFSVTDRGSFEEIYKFQRQILRVKDRDEFPMILIGNKADLDHQRQVTQEEGQQLARQLKVTYMEASAKIRMNVDQAFHE
LVRVIRKFQ
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 'PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER' GNP 
3 'MAGNESIUM ION'                               MG  
4 water                                         HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   GLY n 
1 2   GLN n 
1 3   GLU n 
1 4   LYS n 
1 5   TYR n 
1 6   ARG n 
1 7   LEU n 
1 8   VAL n 
1 9   VAL n 
1 10  VAL n 
1 11  GLY n 
1 12  GLY n 
1 13  GLY n 
1 14  GLY n 
1 15  VAL n 
1 16  GLY n 
1 17  LYS n 
1 18  SER n 
1 19  ALA n 
1 20  LEU n 
1 21  THR n 
1 22  ILE n 
1 23  GLN n 
1 24  PHE n 
1 25  ILE n 
1 26  GLN n 
1 27  SER n 
1 28  TYR n 
1 29  PHE n 
1 30  VAL n 
1 31  THR n 
1 32  ASP n 
1 33  TYR n 
1 34  ASP n 
1 35  PRO n 
1 36  THR n 
1 37  ILE n 
1 38  GLU n 
1 39  ASP n 
1 40  SER n 
1 41  TYR n 
1 42  THR n 
1 43  LYS n 
1 44  GLN n 
1 45  CYS n 
1 46  VAL n 
1 47  ILE n 
1 48  ASP n 
1 49  ASP n 
1 50  ARG n 
1 51  ALA n 
1 52  ALA n 
1 53  ARG n 
1 54  LEU n 
1 55  ASP n 
1 56  ILE n 
1 57  LEU n 
1 58  ASP n 
1 59  THR n 
1 60  ALA n 
1 61  GLY n 
1 62  GLN n 
1 63  GLU n 
1 64  GLU n 
1 65  PHE n 
1 66  GLY n 
1 67  ALA n 
1 68  MET n 
1 69  ARG n 
1 70  GLU n 
1 71  GLN n 
1 72  TYR n 
1 73  MET n 
1 74  ARG n 
1 75  THR n 
1 76  GLY n 
1 77  GLU n 
1 78  GLY n 
1 79  PHE n 
1 80  LEU n 
1 81  LEU n 
1 82  VAL n 
1 83  PHE n 
1 84  SER n 
1 85  VAL n 
1 86  THR n 
1 87  ASP n 
1 88  ARG n 
1 89  GLY n 
1 90  SER n 
1 91  PHE n 
1 92  GLU n 
1 93  GLU n 
1 94  ILE n 
1 95  TYR n 
1 96  LYS n 
1 97  PHE n 
1 98  GLN n 
1 99  ARG n 
1 100 GLN n 
1 101 ILE n 
1 102 LEU n 
1 103 ARG n 
1 104 VAL n 
1 105 LYS n 
1 106 ASP n 
1 107 ARG n 
1 108 ASP n 
1 109 GLU n 
1 110 PHE n 
1 111 PRO n 
1 112 MET n 
1 113 ILE n 
1 114 LEU n 
1 115 ILE n 
1 116 GLY n 
1 117 ASN n 
1 118 LYS n 
1 119 ALA n 
1 120 ASP n 
1 121 LEU n 
1 122 ASP n 
1 123 HIS n 
1 124 GLN n 
1 125 ARG n 
1 126 GLN n 
1 127 VAL n 
1 128 THR n 
1 129 GLN n 
1 130 GLU n 
1 131 GLU n 
1 132 GLY n 
1 133 GLN n 
1 134 GLN n 
1 135 LEU n 
1 136 ALA n 
1 137 ARG n 
1 138 GLN n 
1 139 LEU n 
1 140 LYS n 
1 141 VAL n 
1 142 THR n 
1 143 TYR n 
1 144 MET n 
1 145 GLU n 
1 146 ALA n 
1 147 SER n 
1 148 ALA n 
1 149 LYS n 
1 150 ILE n 
1 151 ARG n 
1 152 MET n 
1 153 ASN n 
1 154 VAL n 
1 155 ASP n 
1 156 GLN n 
1 157 ALA n 
1 158 PHE n 
1 159 HIS n 
1 160 GLU n 
1 161 LEU n 
1 162 VAL n 
1 163 ARG n 
1 164 VAL n 
1 165 ILE n 
1 166 ARG n 
1 167 LYS n 
1 168 PHE n 
1 169 GLN n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   169 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'RRAS2, TC21' 
_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                   ? 
# 
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  
GNP non-polymer         . 'PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER' ? 'C10 H17 N6 O13 P3' 522.196 
HIS 'L-peptide linking' y HISTIDINE                                     ? 'C6 H10 N3 O2 1'    156.162 
HOH non-polymer         . WATER                                         ? 'H2 O'              18.015  
ILE 'L-peptide linking' y ISOLEUCINE                                    ? 'C6 H13 N O2'       131.173 
LEU 'L-peptide linking' y LEUCINE                                       ? 'C6 H13 N O2'       131.173 
LYS 'L-peptide linking' y LYSINE                                        ? 'C6 H15 N2 O2 1'    147.195 
MET 'L-peptide linking' y METHIONINE                                    ? 'C5 H11 N O2 S'     149.211 
MG  non-polymer         . 'MAGNESIUM ION'                               ? 'Mg 2'              24.305  
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 
TYR 'L-peptide linking' y TYROSINE                                      ? 'C9 H11 N O3'       181.189 
VAL 'L-peptide linking' y VALINE                                        ? 'C5 H11 N O2'       117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   GLY 1   11  ?   ?   ?   A . n 
A 1 2   GLN 2   12  12  GLN GLN A . n 
A 1 3   GLU 3   13  13  GLU GLU A . n 
A 1 4   LYS 4   14  14  LYS LYS A . n 
A 1 5   TYR 5   15  15  TYR TYR A . n 
A 1 6   ARG 6   16  16  ARG ARG A . n 
A 1 7   LEU 7   17  17  LEU LEU A . n 
A 1 8   VAL 8   18  18  VAL VAL A . n 
A 1 9   VAL 9   19  19  VAL VAL A . n 
A 1 10  VAL 10  20  20  VAL VAL A . n 
A 1 11  GLY 11  21  21  GLY GLY A . n 
A 1 12  GLY 12  22  22  GLY GLY A . n 
A 1 13  GLY 13  23  23  GLY GLY A . n 
A 1 14  GLY 14  24  24  GLY GLY A . n 
A 1 15  VAL 15  25  25  VAL VAL A . n 
A 1 16  GLY 16  26  26  GLY GLY A . n 
A 1 17  LYS 17  27  27  LYS LYS A . n 
A 1 18  SER 18  28  28  SER SER A . n 
A 1 19  ALA 19  29  29  ALA ALA A . n 
A 1 20  LEU 20  30  30  LEU LEU A . n 
A 1 21  THR 21  31  31  THR THR A . n 
A 1 22  ILE 22  32  32  ILE ILE A . n 
A 1 23  GLN 23  33  33  GLN GLN A . n 
A 1 24  PHE 24  34  34  PHE PHE A . n 
A 1 25  ILE 25  35  35  ILE ILE A . n 
A 1 26  GLN 26  36  36  GLN GLN A . n 
A 1 27  SER 27  37  37  SER SER A . n 
A 1 28  TYR 28  38  38  TYR TYR A . n 
A 1 29  PHE 29  39  39  PHE PHE A . n 
A 1 30  VAL 30  40  40  VAL VAL A . n 
A 1 31  THR 31  41  41  THR THR A . n 
A 1 32  ASP 32  42  42  ASP ASP A . n 
A 1 33  TYR 33  43  43  TYR TYR A . n 
A 1 34  ASP 34  44  44  ASP ASP A . n 
A 1 35  PRO 35  45  45  PRO PRO A . n 
A 1 36  THR 36  46  46  THR THR A . n 
A 1 37  ILE 37  47  47  ILE ILE A . n 
A 1 38  GLU 38  48  48  GLU GLU A . n 
A 1 39  ASP 39  49  49  ASP ASP A . n 
A 1 40  SER 40  50  50  SER SER A . n 
A 1 41  TYR 41  51  51  TYR TYR A . n 
A 1 42  THR 42  52  52  THR THR A . n 
A 1 43  LYS 43  53  53  LYS LYS A . n 
A 1 44  GLN 44  54  54  GLN GLN A . n 
A 1 45  CYS 45  55  55  CYS CYS A . n 
A 1 46  VAL 46  56  56  VAL VAL A . n 
A 1 47  ILE 47  57  57  ILE ILE A . n 
A 1 48  ASP 48  58  58  ASP ASP A . n 
A 1 49  ASP 49  59  59  ASP ASP A . n 
A 1 50  ARG 50  60  60  ARG ARG A . n 
A 1 51  ALA 51  61  61  ALA ALA A . n 
A 1 52  ALA 52  62  62  ALA ALA A . n 
A 1 53  ARG 53  63  63  ARG ARG A . n 
A 1 54  LEU 54  64  64  LEU LEU A . n 
A 1 55  ASP 55  65  65  ASP ASP A . n 
A 1 56  ILE 56  66  66  ILE ILE A . n 
A 1 57  LEU 57  67  67  LEU LEU A . n 
A 1 58  ASP 58  68  68  ASP ASP A . n 
A 1 59  THR 59  69  69  THR THR A . n 
A 1 60  ALA 60  70  70  ALA ALA A . n 
A 1 61  GLY 61  71  71  GLY GLY A . n 
A 1 62  GLN 62  72  72  GLN GLN A . n 
A 1 63  GLU 63  73  73  GLU GLU A . n 
A 1 64  GLU 64  74  74  GLU GLU A . n 
A 1 65  PHE 65  75  75  PHE PHE A . n 
A 1 66  GLY 66  76  76  GLY GLY A . n 
A 1 67  ALA 67  77  77  ALA ALA A . n 
A 1 68  MET 68  78  78  MET MET A . n 
A 1 69  ARG 69  79  79  ARG ARG A . n 
A 1 70  GLU 70  80  80  GLU GLU A . n 
A 1 71  GLN 71  81  81  GLN GLN A . n 
A 1 72  TYR 72  82  82  TYR TYR A . n 
A 1 73  MET 73  83  83  MET MET A . n 
A 1 74  ARG 74  84  84  ARG ARG A . n 
A 1 75  THR 75  85  85  THR THR A . n 
A 1 76  GLY 76  86  86  GLY GLY A . n 
A 1 77  GLU 77  87  87  GLU GLU A . n 
A 1 78  GLY 78  88  88  GLY GLY A . n 
A 1 79  PHE 79  89  89  PHE PHE A . n 
A 1 80  LEU 80  90  90  LEU LEU A . n 
A 1 81  LEU 81  91  91  LEU LEU A . n 
A 1 82  VAL 82  92  92  VAL VAL A . n 
A 1 83  PHE 83  93  93  PHE PHE A . n 
A 1 84  SER 84  94  94  SER SER A . n 
A 1 85  VAL 85  95  95  VAL VAL A . n 
A 1 86  THR 86  96  96  THR THR A . n 
A 1 87  ASP 87  97  97  ASP ASP A . n 
A 1 88  ARG 88  98  98  ARG ARG A . n 
A 1 89  GLY 89  99  99  GLY GLY A . n 
A 1 90  SER 90  100 100 SER SER A . n 
A 1 91  PHE 91  101 101 PHE PHE A . n 
A 1 92  GLU 92  102 102 GLU GLU A . n 
A 1 93  GLU 93  103 103 GLU GLU A . n 
A 1 94  ILE 94  104 104 ILE ILE A . n 
A 1 95  TYR 95  105 105 TYR TYR A . n 
A 1 96  LYS 96  106 106 LYS LYS A . n 
A 1 97  PHE 97  107 107 PHE PHE A . n 
A 1 98  GLN 98  108 108 GLN GLN A . n 
A 1 99  ARG 99  109 109 ARG ARG A . n 
A 1 100 GLN 100 110 110 GLN GLN A . n 
A 1 101 ILE 101 111 111 ILE ILE A . n 
A 1 102 LEU 102 112 112 LEU LEU A . n 
A 1 103 ARG 103 113 113 ARG ARG A . n 
A 1 104 VAL 104 114 114 VAL VAL A . n 
A 1 105 LYS 105 115 115 LYS LYS A . n 
A 1 106 ASP 106 116 116 ASP ASP A . n 
A 1 107 ARG 107 117 117 ARG ARG A . n 
A 1 108 ASP 108 118 118 ASP ASP A . n 
A 1 109 GLU 109 119 119 GLU GLU A . n 
A 1 110 PHE 110 120 120 PHE PHE A . n 
A 1 111 PRO 111 121 121 PRO PRO A . n 
A 1 112 MET 112 122 122 MET MET A . n 
A 1 113 ILE 113 123 123 ILE ILE A . n 
A 1 114 LEU 114 124 124 LEU LEU A . n 
A 1 115 ILE 115 125 125 ILE ILE A . n 
A 1 116 GLY 116 126 126 GLY GLY A . n 
A 1 117 ASN 117 127 127 ASN ASN A . n 
A 1 118 LYS 118 128 128 LYS LYS A . n 
A 1 119 ALA 119 129 129 ALA ALA A . n 
A 1 120 ASP 120 130 130 ASP ASP A . n 
A 1 121 LEU 121 131 131 LEU LEU A . n 
A 1 122 ASP 122 132 132 ASP ASP A . n 
A 1 123 HIS 123 133 133 HIS HIS A . n 
A 1 124 GLN 124 134 134 GLN GLN A . n 
A 1 125 ARG 125 135 135 ARG ARG A . n 
A 1 126 GLN 126 136 136 GLN GLN A . n 
A 1 127 VAL 127 137 137 VAL VAL A . n 
A 1 128 THR 128 138 138 THR THR A . n 
A 1 129 GLN 129 139 139 GLN GLN A . n 
A 1 130 GLU 130 140 140 GLU GLU A . n 
A 1 131 GLU 131 141 141 GLU GLU A . n 
A 1 132 GLY 132 142 142 GLY GLY A . n 
A 1 133 GLN 133 143 143 GLN GLN A . n 
A 1 134 GLN 134 144 144 GLN GLN A . n 
A 1 135 LEU 135 145 145 LEU LEU A . n 
A 1 136 ALA 136 146 146 ALA ALA A . n 
A 1 137 ARG 137 147 147 ARG ARG A . n 
A 1 138 GLN 138 148 148 GLN GLN A . n 
A 1 139 LEU 139 149 149 LEU LEU A . n 
A 1 140 LYS 140 150 150 LYS LYS A . n 
A 1 141 VAL 141 151 151 VAL VAL A . n 
A 1 142 THR 142 152 152 THR THR A . n 
A 1 143 TYR 143 153 153 TYR TYR A . n 
A 1 144 MET 144 154 154 MET MET A . n 
A 1 145 GLU 145 155 155 GLU GLU A . n 
A 1 146 ALA 146 156 156 ALA ALA A . n 
A 1 147 SER 147 157 157 SER SER A . n 
A 1 148 ALA 148 158 158 ALA ALA A . n 
A 1 149 LYS 149 159 159 LYS LYS A . n 
A 1 150 ILE 150 160 160 ILE ILE A . n 
A 1 151 ARG 151 161 161 ARG ARG A . n 
A 1 152 MET 152 162 162 MET MET A . n 
A 1 153 ASN 153 163 163 ASN ASN A . n 
A 1 154 VAL 154 164 164 VAL VAL A . n 
A 1 155 ASP 155 165 165 ASP ASP A . n 
A 1 156 GLN 156 166 166 GLN GLN A . n 
A 1 157 ALA 157 167 167 ALA ALA A . n 
A 1 158 PHE 158 168 168 PHE PHE A . n 
A 1 159 HIS 159 169 169 HIS HIS A . n 
A 1 160 GLU 160 170 170 GLU GLU A . n 
A 1 161 LEU 161 171 171 LEU LEU A . n 
A 1 162 VAL 162 172 172 VAL VAL A . n 
A 1 163 ARG 163 173 173 ARG ARG A . n 
A 1 164 VAL 164 174 174 VAL VAL A . n 
A 1 165 ILE 165 175 175 ILE ILE A . n 
A 1 166 ARG 166 176 176 ARG ARG A . n 
A 1 167 LYS 167 177 177 LYS LYS A . n 
A 1 168 PHE 168 178 178 PHE PHE A . n 
A 1 169 GLN 169 179 179 GLN GLN A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        GNP 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   GNP 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 GNP 1   201 300 GNP GNP A . 
C 3 MG  1   202 1   MG  MG  A . 
D 4 HOH 1   301 78  HOH HOH A . 
D 4 HOH 2   302 146 HOH HOH A . 
D 4 HOH 3   303 174 HOH HOH A . 
D 4 HOH 4   304 80  HOH HOH A . 
D 4 HOH 5   305 79  HOH HOH A . 
D 4 HOH 6   306 46  HOH HOH A . 
D 4 HOH 7   307 106 HOH HOH A . 
D 4 HOH 8   308 49  HOH HOH A . 
D 4 HOH 9   309 173 HOH HOH A . 
D 4 HOH 10  310 133 HOH HOH A . 
D 4 HOH 11  311 141 HOH HOH A . 
D 4 HOH 12  312 103 HOH HOH A . 
D 4 HOH 13  313 44  HOH HOH A . 
D 4 HOH 14  314 139 HOH HOH A . 
D 4 HOH 15  315 38  HOH HOH A . 
D 4 HOH 16  316 16  HOH HOH A . 
D 4 HOH 17  317 70  HOH HOH A . 
D 4 HOH 18  318 93  HOH HOH A . 
D 4 HOH 19  319 125 HOH HOH A . 
D 4 HOH 20  320 67  HOH HOH A . 
D 4 HOH 21  321 148 HOH HOH A . 
D 4 HOH 22  322 32  HOH HOH A . 
D 4 HOH 23  323 28  HOH HOH A . 
D 4 HOH 24  324 169 HOH HOH A . 
D 4 HOH 25  325 5   HOH HOH A . 
D 4 HOH 26  326 24  HOH HOH A . 
D 4 HOH 27  327 60  HOH HOH A . 
D 4 HOH 28  328 116 HOH HOH A . 
D 4 HOH 29  329 39  HOH HOH A . 
D 4 HOH 30  330 100 HOH HOH A . 
D 4 HOH 31  331 51  HOH HOH A . 
D 4 HOH 32  332 122 HOH HOH A . 
D 4 HOH 33  333 73  HOH HOH A . 
D 4 HOH 34  334 26  HOH HOH A . 
D 4 HOH 35  335 104 HOH HOH A . 
D 4 HOH 36  336 33  HOH HOH A . 
D 4 HOH 37  337 37  HOH HOH A . 
D 4 HOH 38  338 1   HOH HOH A . 
D 4 HOH 39  339 2   HOH HOH A . 
D 4 HOH 40  340 43  HOH HOH A . 
D 4 HOH 41  341 9   HOH HOH A . 
D 4 HOH 42  342 53  HOH HOH A . 
D 4 HOH 43  343 65  HOH HOH A . 
D 4 HOH 44  344 8   HOH HOH A . 
D 4 HOH 45  345 81  HOH HOH A . 
D 4 HOH 46  346 3   HOH HOH A . 
D 4 HOH 47  347 47  HOH HOH A . 
D 4 HOH 48  348 21  HOH HOH A . 
D 4 HOH 49  349 7   HOH HOH A . 
D 4 HOH 50  350 20  HOH HOH A . 
D 4 HOH 51  351 95  HOH HOH A . 
D 4 HOH 52  352 92  HOH HOH A . 
D 4 HOH 53  353 31  HOH HOH A . 
D 4 HOH 54  354 6   HOH HOH A . 
D 4 HOH 55  355 35  HOH HOH A . 
D 4 HOH 56  356 63  HOH HOH A . 
D 4 HOH 57  357 111 HOH HOH A . 
D 4 HOH 58  358 86  HOH HOH A . 
D 4 HOH 59  359 109 HOH HOH A . 
D 4 HOH 60  360 62  HOH HOH A . 
D 4 HOH 61  361 159 HOH HOH A . 
D 4 HOH 62  362 110 HOH HOH A . 
D 4 HOH 63  363 19  HOH HOH A . 
D 4 HOH 64  364 4   HOH HOH A . 
D 4 HOH 65  365 101 HOH HOH A . 
D 4 HOH 66  366 11  HOH HOH A . 
D 4 HOH 67  367 56  HOH HOH A . 
D 4 HOH 68  368 45  HOH HOH A . 
D 4 HOH 69  369 114 HOH HOH A . 
D 4 HOH 70  370 30  HOH HOH A . 
D 4 HOH 71  371 58  HOH HOH A . 
D 4 HOH 72  372 66  HOH HOH A . 
D 4 HOH 73  373 42  HOH HOH A . 
D 4 HOH 74  374 129 HOH HOH A . 
D 4 HOH 75  375 54  HOH HOH A . 
D 4 HOH 76  376 61  HOH HOH A . 
D 4 HOH 77  377 136 HOH HOH A . 
D 4 HOH 78  378 99  HOH HOH A . 
D 4 HOH 79  379 41  HOH HOH A . 
D 4 HOH 80  380 29  HOH HOH A . 
D 4 HOH 81  381 94  HOH HOH A . 
D 4 HOH 82  382 25  HOH HOH A . 
D 4 HOH 83  383 108 HOH HOH A . 
D 4 HOH 84  384 147 HOH HOH A . 
D 4 HOH 85  385 87  HOH HOH A . 
D 4 HOH 86  386 10  HOH HOH A . 
D 4 HOH 87  387 155 HOH HOH A . 
D 4 HOH 88  388 50  HOH HOH A . 
D 4 HOH 89  389 77  HOH HOH A . 
D 4 HOH 90  390 59  HOH HOH A . 
D 4 HOH 91  391 132 HOH HOH A . 
D 4 HOH 92  392 14  HOH HOH A . 
D 4 HOH 93  393 69  HOH HOH A . 
D 4 HOH 94  394 160 HOH HOH A . 
D 4 HOH 95  395 154 HOH HOH A . 
D 4 HOH 96  396 22  HOH HOH A . 
D 4 HOH 97  397 52  HOH HOH A . 
D 4 HOH 98  398 36  HOH HOH A . 
D 4 HOH 99  399 40  HOH HOH A . 
D 4 HOH 100 400 12  HOH HOH A . 
D 4 HOH 101 401 17  HOH HOH A . 
D 4 HOH 102 402 150 HOH HOH A . 
D 4 HOH 103 403 161 HOH HOH A . 
D 4 HOH 104 404 115 HOH HOH A . 
D 4 HOH 105 405 23  HOH HOH A . 
D 4 HOH 106 406 143 HOH HOH A . 
D 4 HOH 107 407 55  HOH HOH A . 
D 4 HOH 108 408 57  HOH HOH A . 
D 4 HOH 109 409 84  HOH HOH A . 
D 4 HOH 110 410 18  HOH HOH A . 
D 4 HOH 111 411 144 HOH HOH A . 
D 4 HOH 112 412 82  HOH HOH A . 
D 4 HOH 113 413 112 HOH HOH A . 
D 4 HOH 114 414 118 HOH HOH A . 
D 4 HOH 115 415 68  HOH HOH A . 
D 4 HOH 116 416 64  HOH HOH A . 
D 4 HOH 117 417 71  HOH HOH A . 
D 4 HOH 118 418 27  HOH HOH A . 
D 4 HOH 119 419 172 HOH HOH A . 
D 4 HOH 120 420 107 HOH HOH A . 
D 4 HOH 121 421 149 HOH HOH A . 
D 4 HOH 122 422 13  HOH HOH A . 
D 4 HOH 123 423 72  HOH HOH A . 
D 4 HOH 124 424 105 HOH HOH A . 
D 4 HOH 125 425 168 HOH HOH A . 
D 4 HOH 126 426 74  HOH HOH A . 
D 4 HOH 127 427 156 HOH HOH A . 
D 4 HOH 128 428 85  HOH HOH A . 
D 4 HOH 129 429 102 HOH HOH A . 
D 4 HOH 130 430 152 HOH HOH A . 
D 4 HOH 131 431 96  HOH HOH A . 
D 4 HOH 132 432 123 HOH HOH A . 
D 4 HOH 133 433 75  HOH HOH A . 
D 4 HOH 134 434 98  HOH HOH A . 
D 4 HOH 135 435 153 HOH HOH A . 
D 4 HOH 136 436 120 HOH HOH A . 
D 4 HOH 137 437 137 HOH HOH A . 
D 4 HOH 138 438 140 HOH HOH A . 
D 4 HOH 139 439 34  HOH HOH A . 
D 4 HOH 140 440 89  HOH HOH A . 
D 4 HOH 141 441 128 HOH HOH A . 
D 4 HOH 142 442 131 HOH HOH A . 
D 4 HOH 143 443 145 HOH HOH A . 
D 4 HOH 144 444 162 HOH HOH A . 
D 4 HOH 145 445 158 HOH HOH A . 
D 4 HOH 146 446 15  HOH HOH A . 
D 4 HOH 147 447 97  HOH HOH A . 
D 4 HOH 148 448 170 HOH HOH A . 
D 4 HOH 149 449 166 HOH HOH A . 
D 4 HOH 150 450 127 HOH HOH A . 
D 4 HOH 151 451 88  HOH HOH A . 
D 4 HOH 152 452 126 HOH HOH A . 
D 4 HOH 153 453 91  HOH HOH A . 
D 4 HOH 154 454 151 HOH HOH A . 
D 4 HOH 155 455 83  HOH HOH A . 
D 4 HOH 156 456 134 HOH HOH A . 
D 4 HOH 157 457 135 HOH HOH A . 
D 4 HOH 158 458 119 HOH HOH A . 
D 4 HOH 159 459 113 HOH HOH A . 
D 4 HOH 160 460 90  HOH HOH A . 
D 4 HOH 161 461 142 HOH HOH A . 
D 4 HOH 162 462 138 HOH HOH A . 
D 4 HOH 163 463 163 HOH HOH A . 
D 4 HOH 164 464 164 HOH HOH A . 
D 4 HOH 165 465 165 HOH HOH A . 
D 4 HOH 166 466 117 HOH HOH A . 
D 4 HOH 167 467 76  HOH HOH A . 
D 4 HOH 168 468 130 HOH HOH A . 
D 4 HOH 169 469 48  HOH HOH A . 
D 4 HOH 170 470 124 HOH HOH A . 
D 4 HOH 171 471 157 HOH HOH A . 
D 4 HOH 172 472 121 HOH HOH A . 
D 4 HOH 173 473 167 HOH HOH A . 
D 4 HOH 174 474 171 HOH HOH A . 
D 4 HOH 175 475 175 HOH HOH A . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1  1 Y 1 A GLN 12  ? CG  ? A GLN 2   CG  
2  1 Y 1 A GLN 12  ? CD  ? A GLN 2   CD  
3  1 Y 1 A GLN 12  ? OE1 ? A GLN 2   OE1 
4  1 Y 1 A GLN 12  ? NE2 ? A GLN 2   NE2 
5  1 Y 1 A HIS 133 ? CG  ? A HIS 123 CG  
6  1 Y 1 A HIS 133 ? ND1 ? A HIS 123 ND1 
7  1 Y 1 A HIS 133 ? CD2 ? A HIS 123 CD2 
8  1 Y 1 A HIS 133 ? CE1 ? A HIS 123 CE1 
9  1 Y 1 A HIS 133 ? NE2 ? A HIS 123 NE2 
10 1 Y 1 A GLN 179 ? CG  ? A GLN 169 CG  
11 1 Y 1 A GLN 179 ? CD  ? A GLN 169 CD  
12 1 Y 1 A GLN 179 ? OE1 ? A GLN 169 OE1 
13 1 Y 1 A GLN 179 ? NE2 ? A GLN 169 NE2 
# 
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 ? ? ? '(1.21_5207: ???)' 1 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? XDS    ? ? ? .                  2 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS    ? ? ? .                  3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER ? ? ? .                  4 
# 
_cell.angle_alpha                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.00 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9B4Q 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     39.299 
_cell.length_a_esd                 ? 
_cell.length_b                     62.797 
_cell.length_b_esd                 ? 
_cell.length_c                     66.089 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_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                         9B4Q 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                19 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 21 21 21' 
_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                   9B4Q 
_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             1.98 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          37.99 
_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              7.8 
_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    '0.1 M Tris, 5%w/v PGA-LM, 30%w/v PEG MME 550' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS EIGER X 16M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2022-07-31 
_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   0.97918 
_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                        'APS BEAMLINE 24-ID-E' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.97918 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   24-ID-E 
_diffrn_source.pdbx_synchrotron_site       APS 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9B4Q 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.46 
_reflns.d_resolution_low                               45.52 
_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                                     29226 
_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                           99.8 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                12.6 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          15.46 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                0.087 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.9990000000000001 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.083 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
loop_
_reflns_shell.d_res_high 
_reflns_shell.d_res_low 
_reflns_shell.meanI_over_sigI_all 
_reflns_shell.meanI_over_sigI_obs 
_reflns_shell.number_measured_all 
_reflns_shell.number_measured_obs 
_reflns_shell.number_possible 
_reflns_shell.number_unique_all 
_reflns_shell.number_unique_obs 
_reflns_shell.percent_possible_obs 
_reflns_shell.Rmerge_F_all 
_reflns_shell.Rmerge_F_obs 
_reflns_shell.meanI_over_sigI_gt 
_reflns_shell.meanI_over_uI_all 
_reflns_shell.meanI_over_uI_gt 
_reflns_shell.number_measured_gt 
_reflns_shell.number_unique_gt 
_reflns_shell.percent_possible_gt 
_reflns_shell.Rmerge_F_gt 
_reflns_shell.Rmerge_I_gt 
_reflns_shell.pdbx_redundancy 
_reflns_shell.pdbx_chi_squared 
_reflns_shell.pdbx_netI_over_sigmaI_all 
_reflns_shell.pdbx_netI_over_sigmaI_obs 
_reflns_shell.pdbx_Rrim_I_all 
_reflns_shell.pdbx_Rpim_I_all 
_reflns_shell.pdbx_rejects 
_reflns_shell.pdbx_ordinal 
_reflns_shell.pdbx_diffrn_id 
_reflns_shell.pdbx_CC_half 
_reflns_shell.pdbx_CC_star 
_reflns_shell.pdbx_R_split 
_reflns_shell.percent_possible_all 
_reflns_shell.Rmerge_I_all 
_reflns_shell.Rmerge_I_obs 
_reflns_shell.pdbx_Rsym_value 
_reflns_shell.pdbx_percent_possible_ellipsoidal 
_reflns_shell.pdbx_percent_possible_spherical 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous 
_reflns_shell.pdbx_percent_possible_spherical_anomalous 
_reflns_shell.pdbx_redundancy_anomalous 
_reflns_shell.pdbx_CC_half_anomalous 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous 
_reflns_shell.pdbx_percent_possible_anomalous 
1.46 1.54  ? ? ? ? ? ? 4594 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 1.284               ? ? 1 1 0.904              ? ? ? ? 1.23 ? ? ? ? ? ? 
? ? ? 
1.54 1.65  ? ? ? ? ? ? 4409 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.7190000000000001  ? ? 2 1 0.9690000000000001 ? ? ? ? 0.688 ? ? ? ? ? ? 
? ? ? 
1.65 1.78  ? ? ? ? ? ? 4066 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.405               ? ? 3 1 0.9840000000000001 ? ? ? ? 
0.38799999999999996 ? ? ? ? ? ? ? ? ? 
1.78 1.95  ? ? ? ? ? ? 3777 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.223               ? ? 4 1 0.995              ? ? ? ? 0.214 ? ? ? ? ? ? 
? ? ? 
1.95 2.18  ? ? ? ? ? ? 3453 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.132               ? ? 5 1 0.997              ? ? ? ? 0.127 ? ? ? ? ? ? 
? ? ? 
2.18 2.52  ? ? ? ? ? ? 3049 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.10300000000000001 ? ? 6 1 0.997              ? ? ? ? 0.099 ? ? ? ? ? ? 
? ? ? 
2.52 3.08  ? ? ? ? ? ? 2609 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.085               ? ? 7 1 0.998              ? ? ? ? 
0.08199999999999999 ? ? ? ? ? ? ? ? ? 
3.08 4.35  ? ? ? ? ? ? 2055 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.066               ? ? 8 1 0.998              ? ? ? ? 0.063 ? ? ? ? ? ? 
? ? ? 
4.35 45.52 ? ? ? ? ? ? 1214 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.053               ? ? 9 1 0.998              ? ? ? ? 0.051 ? ? ? ? ? ? 
? ? ? 
# 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               ? 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.details                                  ? 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 9B4Q 
_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                            1.46 
_refine.ls_d_res_low                             45.52 
_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                     29153 
_refine.ls_number_reflns_R_free                  1456 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.51 
_refine.ls_percent_reflns_R_free                 4.99 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1836 
_refine.ls_R_factor_R_free                       0.2161 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1819 
_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                          1.35 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       ML 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.10 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.90 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 28.62 
_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                            0.25 
_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                       1.46 
_refine_hist.d_res_low                        45.52 
_refine_hist.number_atoms_solvent             175 
_refine_hist.number_atoms_total               1564 
_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        1356 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         33 
_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' ? 0.012  ? 1483 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 1.316  ? 2017 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 13.717 ? 574  ? f_dihedral_angle_d ? ? 
'X-RAY DIFFRACTION' ? 0.143  ? 220  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.012  ? 260  ? f_plane_restr      ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 1.46 1.51  . . 141 2667 98.00  . . . . 0.5214 . . . . . . . . . . . 0.6004 
'X-RAY DIFFRACTION' 1.51 1.57  . . 136 2748 100.00 . . . . 0.3448 . . . . . . . . . . . 0.3822 
'X-RAY DIFFRACTION' 1.57 1.64  . . 148 2698 99.00  . . . . 0.2487 . . . . . . . . . . . 0.2836 
'X-RAY DIFFRACTION' 1.64 1.73  . . 142 2725 99.00  . . . . 0.2104 . . . . . . . . . . . 0.2715 
'X-RAY DIFFRACTION' 1.73 1.84  . . 149 2755 100.00 . . . . 0.2109 . . . . . . . . . . . 0.2562 
'X-RAY DIFFRACTION' 1.84 1.98  . . 141 2760 100.00 . . . . 0.1833 . . . . . . . . . . . 0.2668 
'X-RAY DIFFRACTION' 1.98 2.18  . . 148 2760 100.00 . . . . 0.1602 . . . . . . . . . . . 0.2202 
'X-RAY DIFFRACTION' 2.18 2.49  . . 153 2796 100.00 . . . . 0.1658 . . . . . . . . . . . 0.1823 
'X-RAY DIFFRACTION' 2.49 3.14  . . 144 2833 100.00 . . . . 0.1804 . . . . . . . . . . . 0.1998 
'X-RAY DIFFRACTION' 3.14 45.52 . . 154 2955 100.00 . . . . 0.1577 . . . . . . . . . . . 0.1853 
# 
_struct.entry_id                     9B4Q 
_struct.title                        'Crystal structure of RRAS2 (RAS-Related protein) bound to GMPPNP' 
_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        9B4Q 
_struct_keywords.text            'RAS, RRAS2, TC21, ONCOPROTEIN' 
_struct_keywords.pdbx_keywords   ONCOPROTEIN 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 4 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    RRAS2_HUMAN 
_struct_ref.pdbx_db_accession          P62070 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;GQEKYRLVVVGGGGVGKSALTIQFIQSYFVTDYDPTIEDSYTKQCVIDDRAARLDILDTAGQEEFGAMREQYMRTGEGFL
LVFSVTDRGSFEEIYKFQRQILRVKDRDEFPMILIGNKADLDHQRQVTQEEGQQLARQLKVTYMEASAKIRMNVDQAFHE
LVRVIRKFQ
;
_struct_ref.pdbx_align_begin           11 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9B4Q 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 169 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P62070 
_struct_ref_seq.db_align_beg                  11 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  179 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       11 
_struct_ref_seq.pdbx_auth_seq_align_end       179 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_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_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]         1.0 
_pdbx_struct_oper_list.matrix[1][2]         0.0 
_pdbx_struct_oper_list.matrix[1][3]         0.0 
_pdbx_struct_oper_list.vector[1]            0.0 
_pdbx_struct_oper_list.matrix[2][1]         0.0 
_pdbx_struct_oper_list.matrix[2][2]         1.0 
_pdbx_struct_oper_list.matrix[2][3]         0.0 
_pdbx_struct_oper_list.vector[2]            0.0 
_pdbx_struct_oper_list.matrix[3][1]         0.0 
_pdbx_struct_oper_list.matrix[3][2]         0.0 
_pdbx_struct_oper_list.matrix[3][3]         1.0 
_pdbx_struct_oper_list.vector[3]            0.0 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 GLY A 16  ? SER A 27  ? GLY A 26  SER A 37  1 ? 12 
HELX_P HELX_P2 AA2 GLN A 62  ? ALA A 67  ? GLN A 72  ALA A 77  5 ? 6  
HELX_P HELX_P3 AA3 MET A 68  ? GLY A 76  ? MET A 78  GLY A 86  1 ? 9  
HELX_P HELX_P4 AA4 ASP A 87  ? ASP A 106 ? ASP A 97  ASP A 116 1 ? 20 
HELX_P HELX_P5 AA5 LEU A 121 ? ARG A 125 ? LEU A 131 ARG A 135 5 ? 5  
HELX_P HELX_P6 AA6 THR A 128 ? LEU A 139 ? THR A 138 LEU A 149 1 ? 12 
HELX_P HELX_P7 AA7 ASN A 153 ? GLN A 169 ? ASN A 163 GLN A 179 1 ? 17 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
metalc1 metalc ? ? A SER 18 OG  ? ? ? 1_555 C MG  . MG ? ? A SER 28  A MG  202 1_555 ? ? ? ? ? ? ? 2.126 ? ? 
metalc2 metalc ? ? A THR 36 OG1 ? ? ? 1_555 C MG  . MG ? ? A THR 46  A MG  202 1_555 ? ? ? ? ? ? ? 2.016 ? ? 
metalc3 metalc ? ? B GNP .  O2G ? ? ? 1_555 C MG  . MG ? ? A GNP 201 A MG  202 1_555 ? ? ? ? ? ? ? 2.065 ? ? 
metalc4 metalc ? ? B GNP .  O1B ? ? ? 1_555 C MG  . MG ? ? A GNP 201 A MG  202 1_555 ? ? ? ? ? ? ? 2.041 ? ? 
metalc5 metalc ? ? C MG  .  MG  ? ? ? 1_555 D HOH . O  ? ? A MG  202 A HOH 338 1_555 ? ? ? ? ? ? ? 2.057 ? ? 
metalc6 metalc ? ? C MG  .  MG  ? ? ? 1_555 D HOH . O  ? ? A MG  202 A HOH 339 1_555 ? ? ? ? ? ? ? 2.086 ? ? 
# 
_struct_conn_type.id          metalc 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
loop_
_pdbx_struct_conn_angle.id 
_pdbx_struct_conn_angle.ptnr1_label_atom_id 
_pdbx_struct_conn_angle.ptnr1_label_alt_id 
_pdbx_struct_conn_angle.ptnr1_label_asym_id 
_pdbx_struct_conn_angle.ptnr1_label_comp_id 
_pdbx_struct_conn_angle.ptnr1_label_seq_id 
_pdbx_struct_conn_angle.ptnr1_auth_atom_id 
_pdbx_struct_conn_angle.ptnr1_auth_asym_id 
_pdbx_struct_conn_angle.ptnr1_auth_comp_id 
_pdbx_struct_conn_angle.ptnr1_auth_seq_id 
_pdbx_struct_conn_angle.ptnr1_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr1_symmetry 
_pdbx_struct_conn_angle.ptnr2_label_atom_id 
_pdbx_struct_conn_angle.ptnr2_label_alt_id 
_pdbx_struct_conn_angle.ptnr2_label_asym_id 
_pdbx_struct_conn_angle.ptnr2_label_comp_id 
_pdbx_struct_conn_angle.ptnr2_label_seq_id 
_pdbx_struct_conn_angle.ptnr2_auth_atom_id 
_pdbx_struct_conn_angle.ptnr2_auth_asym_id 
_pdbx_struct_conn_angle.ptnr2_auth_comp_id 
_pdbx_struct_conn_angle.ptnr2_auth_seq_id 
_pdbx_struct_conn_angle.ptnr2_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr2_symmetry 
_pdbx_struct_conn_angle.ptnr3_label_atom_id 
_pdbx_struct_conn_angle.ptnr3_label_alt_id 
_pdbx_struct_conn_angle.ptnr3_label_asym_id 
_pdbx_struct_conn_angle.ptnr3_label_comp_id 
_pdbx_struct_conn_angle.ptnr3_label_seq_id 
_pdbx_struct_conn_angle.ptnr3_auth_atom_id 
_pdbx_struct_conn_angle.ptnr3_auth_asym_id 
_pdbx_struct_conn_angle.ptnr3_auth_comp_id 
_pdbx_struct_conn_angle.ptnr3_auth_seq_id 
_pdbx_struct_conn_angle.ptnr3_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr3_symmetry 
_pdbx_struct_conn_angle.value 
_pdbx_struct_conn_angle.value_esd 
1  OG  ? A SER 18 ? A SER 28  ? 1_555 MG ? C MG . ? A MG 202 ? 1_555 OG1 ? A THR 36 ? A THR 46  ? 1_555 82.4  ? 
2  OG  ? A SER 18 ? A SER 28  ? 1_555 MG ? C MG . ? A MG 202 ? 1_555 O2G ? B GNP .  ? A GNP 201 ? 1_555 175.4 ? 
3  OG1 ? A THR 36 ? A THR 46  ? 1_555 MG ? C MG . ? A MG 202 ? 1_555 O2G ? B GNP .  ? A GNP 201 ? 1_555 93.2  ? 
4  OG  ? A SER 18 ? A SER 28  ? 1_555 MG ? C MG . ? A MG 202 ? 1_555 O1B ? B GNP .  ? A GNP 201 ? 1_555 93.8  ? 
5  OG1 ? A THR 36 ? A THR 46  ? 1_555 MG ? C MG . ? A MG 202 ? 1_555 O1B ? B GNP .  ? A GNP 201 ? 1_555 173.7 ? 
6  O2G ? B GNP .  ? A GNP 201 ? 1_555 MG ? C MG . ? A MG 202 ? 1_555 O1B ? B GNP .  ? A GNP 201 ? 1_555 90.6  ? 
7  OG  ? A SER 18 ? A SER 28  ? 1_555 MG ? C MG . ? A MG 202 ? 1_555 O   ? D HOH .  ? A HOH 338 ? 1_555 88.3  ? 
8  OG1 ? A THR 36 ? A THR 46  ? 1_555 MG ? C MG . ? A MG 202 ? 1_555 O   ? D HOH .  ? A HOH 338 ? 1_555 96.1  ? 
9  O2G ? B GNP .  ? A GNP 201 ? 1_555 MG ? C MG . ? A MG 202 ? 1_555 O   ? D HOH .  ? A HOH 338 ? 1_555 90.6  ? 
10 O1B ? B GNP .  ? A GNP 201 ? 1_555 MG ? C MG . ? A MG 202 ? 1_555 O   ? D HOH .  ? A HOH 338 ? 1_555 88.8  ? 
11 OG  ? A SER 18 ? A SER 28  ? 1_555 MG ? C MG . ? A MG 202 ? 1_555 O   ? D HOH .  ? A HOH 339 ? 1_555 90.0  ? 
12 OG1 ? A THR 36 ? A THR 46  ? 1_555 MG ? C MG . ? A MG 202 ? 1_555 O   ? D HOH .  ? A HOH 339 ? 1_555 88.6  ? 
13 O2G ? B GNP .  ? A GNP 201 ? 1_555 MG ? C MG . ? A MG 202 ? 1_555 O   ? D HOH .  ? A HOH 339 ? 1_555 91.5  ? 
14 O1B ? B GNP .  ? A GNP 201 ? 1_555 MG ? C MG . ? A MG 202 ? 1_555 O   ? D HOH .  ? A HOH 339 ? 1_555 86.3  ? 
15 O   ? D HOH .  ? A HOH 338 ? 1_555 MG ? C MG . ? A MG 202 ? 1_555 O   ? D HOH .  ? A HOH 339 ? 1_555 174.7 ? 
# 
_struct_sheet.id               AA1 
_struct_sheet.type             ? 
_struct_sheet.number_strands   6 
_struct_sheet.details          ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? parallel      
AA1 3 4 ? parallel      
AA1 4 5 ? parallel      
AA1 5 6 ? parallel      
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 GLU A 38  ? ILE A 47  ? GLU A 48  ILE A 57  
AA1 2 ARG A 50  ? THR A 59  ? ARG A 60  THR A 69  
AA1 3 LYS A 4   ? VAL A 10  ? LYS A 14  VAL A 20  
AA1 4 GLY A 78  ? SER A 84  ? GLY A 88  SER A 94  
AA1 5 MET A 112 ? ASN A 117 ? MET A 122 ASN A 127 
AA1 6 THR A 142 ? GLU A 145 ? THR A 152 GLU A 155 
# 
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 ASP A 39  ? N ASP A 49  O ASP A 58  ? O ASP A 68  
AA1 2 3 O LEU A 57  ? O LEU A 67  N VAL A 9   ? N VAL A 19  
AA1 3 4 N VAL A 10  ? N VAL A 20  O VAL A 82  ? O VAL A 92  
AA1 4 5 N LEU A 81  ? N LEU A 91  O ILE A 115 ? O ILE A 125 
AA1 5 6 N LEU A 114 ? N LEU A 124 O THR A 142 ? O THR A 152 
# 
_pdbx_entry_details.entry_id                   9B4Q 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
loop_
_pdbx_validate_close_contact.id 
_pdbx_validate_close_contact.PDB_model_num 
_pdbx_validate_close_contact.auth_atom_id_1 
_pdbx_validate_close_contact.auth_asym_id_1 
_pdbx_validate_close_contact.auth_comp_id_1 
_pdbx_validate_close_contact.auth_seq_id_1 
_pdbx_validate_close_contact.PDB_ins_code_1 
_pdbx_validate_close_contact.label_alt_id_1 
_pdbx_validate_close_contact.auth_atom_id_2 
_pdbx_validate_close_contact.auth_asym_id_2 
_pdbx_validate_close_contact.auth_comp_id_2 
_pdbx_validate_close_contact.auth_seq_id_2 
_pdbx_validate_close_contact.PDB_ins_code_2 
_pdbx_validate_close_contact.label_alt_id_2 
_pdbx_validate_close_contact.dist 
1 1 O A HOH 412 ? ? O A HOH 429 ? ? 2.15 
2 1 O A HOH 431 ? ? O A HOH 438 ? ? 2.18 
# 
_pdbx_refine_tls.id               1 
_pdbx_refine_tls.pdbx_refine_id   'X-RAY DIFFRACTION' 
_pdbx_refine_tls.details          ? 
_pdbx_refine_tls.method           refined 
_pdbx_refine_tls.origin_x         -9.0766 
_pdbx_refine_tls.origin_y         15.2320 
_pdbx_refine_tls.origin_z         -17.2461 
_pdbx_refine_tls.T[1][1]          0.1662 
_pdbx_refine_tls.T[1][1]_esd      ? 
_pdbx_refine_tls.T[1][2]          -0.0048 
_pdbx_refine_tls.T[1][2]_esd      ? 
_pdbx_refine_tls.T[1][3]          0.0083 
_pdbx_refine_tls.T[1][3]_esd      ? 
_pdbx_refine_tls.T[2][2]          0.1673 
_pdbx_refine_tls.T[2][2]_esd      ? 
_pdbx_refine_tls.T[2][3]          -0.0078 
_pdbx_refine_tls.T[2][3]_esd      ? 
_pdbx_refine_tls.T[3][3]          0.1191 
_pdbx_refine_tls.T[3][3]_esd      ? 
_pdbx_refine_tls.L[1][1]          2.5564 
_pdbx_refine_tls.L[1][1]_esd      ? 
_pdbx_refine_tls.L[1][2]          -0.2913 
_pdbx_refine_tls.L[1][2]_esd      ? 
_pdbx_refine_tls.L[1][3]          -0.0359 
_pdbx_refine_tls.L[1][3]_esd      ? 
_pdbx_refine_tls.L[2][2]          3.1901 
_pdbx_refine_tls.L[2][2]_esd      ? 
_pdbx_refine_tls.L[2][3]          -0.2902 
_pdbx_refine_tls.L[2][3]_esd      ? 
_pdbx_refine_tls.L[3][3]          0.9612 
_pdbx_refine_tls.L[3][3]_esd      ? 
_pdbx_refine_tls.S[1][1]          0.0298 
_pdbx_refine_tls.S[1][1]_esd      ? 
_pdbx_refine_tls.S[1][2]          -0.0511 
_pdbx_refine_tls.S[1][2]_esd      ? 
_pdbx_refine_tls.S[1][3]          -0.0434 
_pdbx_refine_tls.S[1][3]_esd      ? 
_pdbx_refine_tls.S[2][1]          0.1991 
_pdbx_refine_tls.S[2][1]_esd      ? 
_pdbx_refine_tls.S[2][2]          0.0308 
_pdbx_refine_tls.S[2][2]_esd      ? 
_pdbx_refine_tls.S[2][3]          0.1585 
_pdbx_refine_tls.S[2][3]_esd      ? 
_pdbx_refine_tls.S[3][1]          0.0351 
_pdbx_refine_tls.S[3][1]_esd      ? 
_pdbx_refine_tls.S[3][2]          -0.0789 
_pdbx_refine_tls.S[3][2]_esd      ? 
_pdbx_refine_tls.S[3][3]          0.0035 
_pdbx_refine_tls.S[3][3]_esd      ? 
# 
_pdbx_refine_tls_group.id                  1 
_pdbx_refine_tls_group.pdbx_refine_id      'X-RAY DIFFRACTION' 
_pdbx_refine_tls_group.refine_tls_id       1 
_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   all 
# 
_pdbx_unobs_or_zero_occ_residues.id               1 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num    1 
_pdbx_unobs_or_zero_occ_residues.polymer_flag     Y 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag   1 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id     A 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id     GLY 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id      11 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code     ? 
_pdbx_unobs_or_zero_occ_residues.label_asym_id    A 
_pdbx_unobs_or_zero_occ_residues.label_comp_id    GLY 
_pdbx_unobs_or_zero_occ_residues.label_seq_id     1 
# 
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 
GNP PG     P  N N 137 
GNP O1G    O  N N 138 
GNP O2G    O  N N 139 
GNP O3G    O  N N 140 
GNP N3B    N  N N 141 
GNP PB     P  N R 142 
GNP O1B    O  N N 143 
GNP O2B    O  N N 144 
GNP O3A    O  N N 145 
GNP PA     P  N S 146 
GNP O1A    O  N N 147 
GNP O2A    O  N N 148 
GNP "O5'"  O  N N 149 
GNP "C5'"  C  N N 150 
GNP "C4'"  C  N R 151 
GNP "O4'"  O  N N 152 
GNP "C3'"  C  N S 153 
GNP "O3'"  O  N N 154 
GNP "C2'"  C  N R 155 
GNP "O2'"  O  N N 156 
GNP "C1'"  C  N R 157 
GNP N9     N  Y N 158 
GNP C8     C  Y N 159 
GNP N7     N  Y N 160 
GNP C5     C  Y N 161 
GNP C6     C  Y N 162 
GNP O6     O  N N 163 
GNP N1     N  Y N 164 
GNP C2     C  Y N 165 
GNP N2     N  N N 166 
GNP N3     N  Y N 167 
GNP C4     C  Y N 168 
GNP HOG2   H  N N 169 
GNP HOG3   H  N N 170 
GNP HNB3   H  N N 171 
GNP HOB2   H  N N 172 
GNP HOA2   H  N N 173 
GNP "H5'2" H  N N 174 
GNP "H5'1" H  N N 175 
GNP "H4'"  H  N N 176 
GNP "H3'"  H  N N 177 
GNP "HO3'" H  N N 178 
GNP "H2'"  H  N N 179 
GNP "HO2'" H  N N 180 
GNP "H1'"  H  N N 181 
GNP H8     H  N N 182 
GNP HN1    H  N N 183 
GNP HN21   H  N N 184 
GNP HN22   H  N N 185 
HIS N      N  N N 186 
HIS CA     C  N S 187 
HIS C      C  N N 188 
HIS O      O  N N 189 
HIS CB     C  N N 190 
HIS CG     C  Y N 191 
HIS ND1    N  Y N 192 
HIS CD2    C  Y N 193 
HIS CE1    C  Y N 194 
HIS NE2    N  Y N 195 
HIS OXT    O  N N 196 
HIS H      H  N N 197 
HIS H2     H  N N 198 
HIS HA     H  N N 199 
HIS HB2    H  N N 200 
HIS HB3    H  N N 201 
HIS HD1    H  N N 202 
HIS HD2    H  N N 203 
HIS HE1    H  N N 204 
HIS HE2    H  N N 205 
HIS HXT    H  N N 206 
HOH O      O  N N 207 
HOH H1     H  N N 208 
HOH H2     H  N N 209 
ILE N      N  N N 210 
ILE CA     C  N S 211 
ILE C      C  N N 212 
ILE O      O  N N 213 
ILE CB     C  N S 214 
ILE CG1    C  N N 215 
ILE CG2    C  N N 216 
ILE CD1    C  N N 217 
ILE OXT    O  N N 218 
ILE H      H  N N 219 
ILE H2     H  N N 220 
ILE HA     H  N N 221 
ILE HB     H  N N 222 
ILE HG12   H  N N 223 
ILE HG13   H  N N 224 
ILE HG21   H  N N 225 
ILE HG22   H  N N 226 
ILE HG23   H  N N 227 
ILE HD11   H  N N 228 
ILE HD12   H  N N 229 
ILE HD13   H  N N 230 
ILE HXT    H  N N 231 
LEU N      N  N N 232 
LEU CA     C  N S 233 
LEU C      C  N N 234 
LEU O      O  N N 235 
LEU CB     C  N N 236 
LEU CG     C  N N 237 
LEU CD1    C  N N 238 
LEU CD2    C  N N 239 
LEU OXT    O  N N 240 
LEU H      H  N N 241 
LEU H2     H  N N 242 
LEU HA     H  N N 243 
LEU HB2    H  N N 244 
LEU HB3    H  N N 245 
LEU HG     H  N N 246 
LEU HD11   H  N N 247 
LEU HD12   H  N N 248 
LEU HD13   H  N N 249 
LEU HD21   H  N N 250 
LEU HD22   H  N N 251 
LEU HD23   H  N N 252 
LEU HXT    H  N N 253 
LYS N      N  N N 254 
LYS CA     C  N S 255 
LYS C      C  N N 256 
LYS O      O  N N 257 
LYS CB     C  N N 258 
LYS CG     C  N N 259 
LYS CD     C  N N 260 
LYS CE     C  N N 261 
LYS NZ     N  N N 262 
LYS OXT    O  N N 263 
LYS H      H  N N 264 
LYS H2     H  N N 265 
LYS HA     H  N N 266 
LYS HB2    H  N N 267 
LYS HB3    H  N N 268 
LYS HG2    H  N N 269 
LYS HG3    H  N N 270 
LYS HD2    H  N N 271 
LYS HD3    H  N N 272 
LYS HE2    H  N N 273 
LYS HE3    H  N N 274 
LYS HZ1    H  N N 275 
LYS HZ2    H  N N 276 
LYS HZ3    H  N N 277 
LYS HXT    H  N N 278 
MET N      N  N N 279 
MET CA     C  N S 280 
MET C      C  N N 281 
MET O      O  N N 282 
MET CB     C  N N 283 
MET CG     C  N N 284 
MET SD     S  N N 285 
MET CE     C  N N 286 
MET OXT    O  N N 287 
MET H      H  N N 288 
MET H2     H  N N 289 
MET HA     H  N N 290 
MET HB2    H  N N 291 
MET HB3    H  N N 292 
MET HG2    H  N N 293 
MET HG3    H  N N 294 
MET HE1    H  N N 295 
MET HE2    H  N N 296 
MET HE3    H  N N 297 
MET HXT    H  N N 298 
MG  MG     MG N N 299 
PHE N      N  N N 300 
PHE CA     C  N S 301 
PHE C      C  N N 302 
PHE O      O  N N 303 
PHE CB     C  N N 304 
PHE CG     C  Y N 305 
PHE CD1    C  Y N 306 
PHE CD2    C  Y N 307 
PHE CE1    C  Y N 308 
PHE CE2    C  Y N 309 
PHE CZ     C  Y N 310 
PHE OXT    O  N N 311 
PHE H      H  N N 312 
PHE H2     H  N N 313 
PHE HA     H  N N 314 
PHE HB2    H  N N 315 
PHE HB3    H  N N 316 
PHE HD1    H  N N 317 
PHE HD2    H  N N 318 
PHE HE1    H  N N 319 
PHE HE2    H  N N 320 
PHE HZ     H  N N 321 
PHE HXT    H  N N 322 
PRO N      N  N N 323 
PRO CA     C  N S 324 
PRO C      C  N N 325 
PRO O      O  N N 326 
PRO CB     C  N N 327 
PRO CG     C  N N 328 
PRO CD     C  N N 329 
PRO OXT    O  N N 330 
PRO H      H  N N 331 
PRO HA     H  N N 332 
PRO HB2    H  N N 333 
PRO HB3    H  N N 334 
PRO HG2    H  N N 335 
PRO HG3    H  N N 336 
PRO HD2    H  N N 337 
PRO HD3    H  N N 338 
PRO HXT    H  N N 339 
SER N      N  N N 340 
SER CA     C  N S 341 
SER C      C  N N 342 
SER O      O  N N 343 
SER CB     C  N N 344 
SER OG     O  N N 345 
SER OXT    O  N N 346 
SER H      H  N N 347 
SER H2     H  N N 348 
SER HA     H  N N 349 
SER HB2    H  N N 350 
SER HB3    H  N N 351 
SER HG     H  N N 352 
SER HXT    H  N N 353 
THR N      N  N N 354 
THR CA     C  N S 355 
THR C      C  N N 356 
THR O      O  N N 357 
THR CB     C  N R 358 
THR OG1    O  N N 359 
THR CG2    C  N N 360 
THR OXT    O  N N 361 
THR H      H  N N 362 
THR H2     H  N N 363 
THR HA     H  N N 364 
THR HB     H  N N 365 
THR HG1    H  N N 366 
THR HG21   H  N N 367 
THR HG22   H  N N 368 
THR HG23   H  N N 369 
THR HXT    H  N N 370 
TYR N      N  N N 371 
TYR CA     C  N S 372 
TYR C      C  N N 373 
TYR O      O  N N 374 
TYR CB     C  N N 375 
TYR CG     C  Y N 376 
TYR CD1    C  Y N 377 
TYR CD2    C  Y N 378 
TYR CE1    C  Y N 379 
TYR CE2    C  Y N 380 
TYR CZ     C  Y N 381 
TYR OH     O  N N 382 
TYR OXT    O  N N 383 
TYR H      H  N N 384 
TYR H2     H  N N 385 
TYR HA     H  N N 386 
TYR HB2    H  N N 387 
TYR HB3    H  N N 388 
TYR HD1    H  N N 389 
TYR HD2    H  N N 390 
TYR HE1    H  N N 391 
TYR HE2    H  N N 392 
TYR HH     H  N N 393 
TYR HXT    H  N N 394 
VAL N      N  N N 395 
VAL CA     C  N S 396 
VAL C      C  N N 397 
VAL O      O  N N 398 
VAL CB     C  N N 399 
VAL CG1    C  N N 400 
VAL CG2    C  N N 401 
VAL OXT    O  N N 402 
VAL H      H  N N 403 
VAL H2     H  N N 404 
VAL HA     H  N N 405 
VAL HB     H  N N 406 
VAL HG11   H  N N 407 
VAL HG12   H  N N 408 
VAL HG13   H  N N 409 
VAL HG21   H  N N 410 
VAL HG22   H  N N 411 
VAL HG23   H  N N 412 
VAL HXT    H  N N 413 
# 
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 
GNP PG    O1G    doub N N 129 
GNP PG    O2G    sing N N 130 
GNP PG    O3G    sing N N 131 
GNP PG    N3B    sing N N 132 
GNP O2G   HOG2   sing N N 133 
GNP O3G   HOG3   sing N N 134 
GNP N3B   PB     sing N N 135 
GNP N3B   HNB3   sing N N 136 
GNP PB    O1B    doub N N 137 
GNP PB    O2B    sing N N 138 
GNP PB    O3A    sing N N 139 
GNP O2B   HOB2   sing N N 140 
GNP O3A   PA     sing N N 141 
GNP PA    O1A    doub N N 142 
GNP PA    O2A    sing N N 143 
GNP PA    "O5'"  sing N N 144 
GNP O2A   HOA2   sing N N 145 
GNP "O5'" "C5'"  sing N N 146 
GNP "C5'" "C4'"  sing N N 147 
GNP "C5'" "H5'2" sing N N 148 
GNP "C5'" "H5'1" sing N N 149 
GNP "C4'" "O4'"  sing N N 150 
GNP "C4'" "C3'"  sing N N 151 
GNP "C4'" "H4'"  sing N N 152 
GNP "O4'" "C1'"  sing N N 153 
GNP "C3'" "O3'"  sing N N 154 
GNP "C3'" "C2'"  sing N N 155 
GNP "C3'" "H3'"  sing N N 156 
GNP "O3'" "HO3'" sing N N 157 
GNP "C2'" "O2'"  sing N N 158 
GNP "C2'" "C1'"  sing N N 159 
GNP "C2'" "H2'"  sing N N 160 
GNP "O2'" "HO2'" sing N N 161 
GNP "C1'" N9     sing N N 162 
GNP "C1'" "H1'"  sing N N 163 
GNP N9    C8     sing Y N 164 
GNP N9    C4     sing Y N 165 
GNP C8    N7     doub Y N 166 
GNP C8    H8     sing N N 167 
GNP N7    C5     sing Y N 168 
GNP C5    C6     sing Y N 169 
GNP C5    C4     doub Y N 170 
GNP C6    O6     doub N N 171 
GNP C6    N1     sing Y N 172 
GNP N1    C2     sing Y N 173 
GNP N1    HN1    sing N N 174 
GNP C2    N2     sing N N 175 
GNP C2    N3     doub Y N 176 
GNP N2    HN21   sing N N 177 
GNP N2    HN22   sing N N 178 
GNP N3    C4     sing Y N 179 
HIS N     CA     sing N N 180 
HIS N     H      sing N N 181 
HIS N     H2     sing N N 182 
HIS CA    C      sing N N 183 
HIS CA    CB     sing N N 184 
HIS CA    HA     sing N N 185 
HIS C     O      doub N N 186 
HIS C     OXT    sing N N 187 
HIS CB    CG     sing N N 188 
HIS CB    HB2    sing N N 189 
HIS CB    HB3    sing N N 190 
HIS CG    ND1    sing Y N 191 
HIS CG    CD2    doub Y N 192 
HIS ND1   CE1    doub Y N 193 
HIS ND1   HD1    sing N N 194 
HIS CD2   NE2    sing Y N 195 
HIS CD2   HD2    sing N N 196 
HIS CE1   NE2    sing Y N 197 
HIS CE1   HE1    sing N N 198 
HIS NE2   HE2    sing N N 199 
HIS OXT   HXT    sing N N 200 
HOH O     H1     sing N N 201 
HOH O     H2     sing N N 202 
ILE N     CA     sing N N 203 
ILE N     H      sing N N 204 
ILE N     H2     sing N N 205 
ILE CA    C      sing N N 206 
ILE CA    CB     sing N N 207 
ILE CA    HA     sing N N 208 
ILE C     O      doub N N 209 
ILE C     OXT    sing N N 210 
ILE CB    CG1    sing N N 211 
ILE CB    CG2    sing N N 212 
ILE CB    HB     sing N N 213 
ILE CG1   CD1    sing N N 214 
ILE CG1   HG12   sing N N 215 
ILE CG1   HG13   sing N N 216 
ILE CG2   HG21   sing N N 217 
ILE CG2   HG22   sing N N 218 
ILE CG2   HG23   sing N N 219 
ILE CD1   HD11   sing N N 220 
ILE CD1   HD12   sing N N 221 
ILE CD1   HD13   sing N N 222 
ILE OXT   HXT    sing N N 223 
LEU N     CA     sing N N 224 
LEU N     H      sing N N 225 
LEU N     H2     sing N N 226 
LEU CA    C      sing N N 227 
LEU CA    CB     sing N N 228 
LEU CA    HA     sing N N 229 
LEU C     O      doub N N 230 
LEU C     OXT    sing N N 231 
LEU CB    CG     sing N N 232 
LEU CB    HB2    sing N N 233 
LEU CB    HB3    sing N N 234 
LEU CG    CD1    sing N N 235 
LEU CG    CD2    sing N N 236 
LEU CG    HG     sing N N 237 
LEU CD1   HD11   sing N N 238 
LEU CD1   HD12   sing N N 239 
LEU CD1   HD13   sing N N 240 
LEU CD2   HD21   sing N N 241 
LEU CD2   HD22   sing N N 242 
LEU CD2   HD23   sing N N 243 
LEU OXT   HXT    sing N N 244 
LYS N     CA     sing N N 245 
LYS N     H      sing N N 246 
LYS N     H2     sing N N 247 
LYS CA    C      sing N N 248 
LYS CA    CB     sing N N 249 
LYS CA    HA     sing N N 250 
LYS C     O      doub N N 251 
LYS C     OXT    sing N N 252 
LYS CB    CG     sing N N 253 
LYS CB    HB2    sing N N 254 
LYS CB    HB3    sing N N 255 
LYS CG    CD     sing N N 256 
LYS CG    HG2    sing N N 257 
LYS CG    HG3    sing N N 258 
LYS CD    CE     sing N N 259 
LYS CD    HD2    sing N N 260 
LYS CD    HD3    sing N N 261 
LYS CE    NZ     sing N N 262 
LYS CE    HE2    sing N N 263 
LYS CE    HE3    sing N N 264 
LYS NZ    HZ1    sing N N 265 
LYS NZ    HZ2    sing N N 266 
LYS NZ    HZ3    sing N N 267 
LYS OXT   HXT    sing N N 268 
MET N     CA     sing N N 269 
MET N     H      sing N N 270 
MET N     H2     sing N N 271 
MET CA    C      sing N N 272 
MET CA    CB     sing N N 273 
MET CA    HA     sing N N 274 
MET C     O      doub N N 275 
MET C     OXT    sing N N 276 
MET CB    CG     sing N N 277 
MET CB    HB2    sing N N 278 
MET CB    HB3    sing N N 279 
MET CG    SD     sing N N 280 
MET CG    HG2    sing N N 281 
MET CG    HG3    sing N N 282 
MET SD    CE     sing N N 283 
MET CE    HE1    sing N N 284 
MET CE    HE2    sing N N 285 
MET CE    HE3    sing N N 286 
MET OXT   HXT    sing N N 287 
PHE N     CA     sing N N 288 
PHE N     H      sing N N 289 
PHE N     H2     sing N N 290 
PHE CA    C      sing N N 291 
PHE CA    CB     sing N N 292 
PHE CA    HA     sing N N 293 
PHE C     O      doub N N 294 
PHE C     OXT    sing N N 295 
PHE CB    CG     sing N N 296 
PHE CB    HB2    sing N N 297 
PHE CB    HB3    sing N N 298 
PHE CG    CD1    doub Y N 299 
PHE CG    CD2    sing Y N 300 
PHE CD1   CE1    sing Y N 301 
PHE CD1   HD1    sing N N 302 
PHE CD2   CE2    doub Y N 303 
PHE CD2   HD2    sing N N 304 
PHE CE1   CZ     doub Y N 305 
PHE CE1   HE1    sing N N 306 
PHE CE2   CZ     sing Y N 307 
PHE CE2   HE2    sing N N 308 
PHE CZ    HZ     sing N N 309 
PHE OXT   HXT    sing N N 310 
PRO N     CA     sing N N 311 
PRO N     CD     sing N N 312 
PRO N     H      sing N N 313 
PRO CA    C      sing N N 314 
PRO CA    CB     sing N N 315 
PRO CA    HA     sing N N 316 
PRO C     O      doub N N 317 
PRO C     OXT    sing N N 318 
PRO CB    CG     sing N N 319 
PRO CB    HB2    sing N N 320 
PRO CB    HB3    sing N N 321 
PRO CG    CD     sing N N 322 
PRO CG    HG2    sing N N 323 
PRO CG    HG3    sing N N 324 
PRO CD    HD2    sing N N 325 
PRO CD    HD3    sing N N 326 
PRO OXT   HXT    sing N N 327 
SER N     CA     sing N N 328 
SER N     H      sing N N 329 
SER N     H2     sing N N 330 
SER CA    C      sing N N 331 
SER CA    CB     sing N N 332 
SER CA    HA     sing N N 333 
SER C     O      doub N N 334 
SER C     OXT    sing N N 335 
SER CB    OG     sing N N 336 
SER CB    HB2    sing N N 337 
SER CB    HB3    sing N N 338 
SER OG    HG     sing N N 339 
SER OXT   HXT    sing N N 340 
THR N     CA     sing N N 341 
THR N     H      sing N N 342 
THR N     H2     sing N N 343 
THR CA    C      sing N N 344 
THR CA    CB     sing N N 345 
THR CA    HA     sing N N 346 
THR C     O      doub N N 347 
THR C     OXT    sing N N 348 
THR CB    OG1    sing N N 349 
THR CB    CG2    sing N N 350 
THR CB    HB     sing N N 351 
THR OG1   HG1    sing N N 352 
THR CG2   HG21   sing N N 353 
THR CG2   HG22   sing N N 354 
THR CG2   HG23   sing N N 355 
THR OXT   HXT    sing N N 356 
TYR N     CA     sing N N 357 
TYR N     H      sing N N 358 
TYR N     H2     sing N N 359 
TYR CA    C      sing N N 360 
TYR CA    CB     sing N N 361 
TYR CA    HA     sing N N 362 
TYR C     O      doub N N 363 
TYR C     OXT    sing N N 364 
TYR CB    CG     sing N N 365 
TYR CB    HB2    sing N N 366 
TYR CB    HB3    sing N N 367 
TYR CG    CD1    doub Y N 368 
TYR CG    CD2    sing Y N 369 
TYR CD1   CE1    sing Y N 370 
TYR CD1   HD1    sing N N 371 
TYR CD2   CE2    doub Y N 372 
TYR CD2   HD2    sing N N 373 
TYR CE1   CZ     doub Y N 374 
TYR CE1   HE1    sing N N 375 
TYR CE2   CZ     sing Y N 376 
TYR CE2   HE2    sing N N 377 
TYR CZ    OH     sing N N 378 
TYR OH    HH     sing N N 379 
TYR OXT   HXT    sing N N 380 
VAL N     CA     sing N N 381 
VAL N     H      sing N N 382 
VAL N     H2     sing N N 383 
VAL CA    C      sing N N 384 
VAL CA    CB     sing N N 385 
VAL CA    HA     sing N N 386 
VAL C     O      doub N N 387 
VAL C     OXT    sing N N 388 
VAL CB    CG1    sing N N 389 
VAL CB    CG2    sing N N 390 
VAL CB    HB     sing N N 391 
VAL CG1   HG11   sing N N 392 
VAL CG1   HG12   sing N N 393 
VAL CG1   HG13   sing N N 394 
VAL CG2   HG21   sing N N 395 
VAL CG2   HG22   sing N N 396 
VAL CG2   HG23   sing N N 397 
VAL OXT   HXT    sing N N 398 
# 
_pdbx_audit_support.funding_organization   'National Institutes of Health/National Cancer Institute (NIH/NCI)' 
_pdbx_audit_support.country                'United States' 
_pdbx_audit_support.grant_number           75N91019D00024 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   2ERY 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    9B4Q 
_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]   0.025446 
_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]   0.015924 
_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]   0.015131 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
C  
MG 
N  
O  
P  
S  
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N  N     . GLN A 1 2   ? 10.801  19.537  -30.103 1.00 52.11 ? 12  GLN A N     1 
ATOM   2    C  CA    . GLN A 1 2   ? 10.297  18.446  -30.928 1.00 38.91 ? 12  GLN A CA    1 
ATOM   3    C  C     . GLN A 1 2   ? 9.637   17.339  -30.076 1.00 47.31 ? 12  GLN A C     1 
ATOM   4    O  O     . GLN A 1 2   ? 9.861   16.146  -30.307 1.00 51.57 ? 12  GLN A O     1 
ATOM   5    C  CB    . GLN A 1 2   ? 11.425  17.887  -31.791 1.00 42.93 ? 12  GLN A CB    1 
ATOM   6    N  N     . GLU A 1 3   ? 8.815   17.742  -29.102 1.00 31.08 ? 13  GLU A N     1 
ATOM   7    C  CA    . GLU A 1 3   ? 8.165   16.822  -28.178 1.00 27.29 ? 13  GLU A CA    1 
ATOM   8    C  C     . GLU A 1 3   ? 6.679   17.120  -28.091 1.00 25.01 ? 13  GLU A C     1 
ATOM   9    O  O     . GLU A 1 3   ? 6.262   18.281  -28.163 1.00 26.61 ? 13  GLU A O     1 
ATOM   10   C  CB    . GLU A 1 3   ? 8.746   16.906  -26.774 1.00 26.83 ? 13  GLU A CB    1 
ATOM   11   C  CG    . GLU A 1 3   ? 10.237  16.468  -26.715 1.00 34.81 ? 13  GLU A CG    1 
ATOM   12   C  CD    . GLU A 1 3   ? 10.714  16.345  -25.290 1.00 36.76 ? 13  GLU A CD    1 
ATOM   13   O  OE1   . GLU A 1 3   ? 10.725  17.385  -24.580 1.00 30.20 ? 13  GLU A OE1   1 
ATOM   14   O  OE2   . GLU A 1 3   ? 11.047  15.215  -24.866 1.00 39.51 ? 13  GLU A OE2   1 
ATOM   15   N  N     . LYS A 1 4   ? 5.883   16.067  -27.890 1.00 21.84 ? 14  LYS A N     1 
ATOM   16   C  CA    . LYS A 1 4   ? 4.424   16.195  -27.923 1.00 20.32 ? 14  LYS A CA    1 
ATOM   17   C  C     . LYS A 1 4   ? 3.804   15.145  -27.004 1.00 20.98 ? 14  LYS A C     1 
ATOM   18   O  O     . LYS A 1 4   ? 4.363   14.065  -26.775 1.00 21.14 ? 14  LYS A O     1 
ATOM   19   C  CB    . LYS A 1 4   ? 3.895   16.034  -29.356 1.00 26.36 ? 14  LYS A CB    1 
ATOM   20   C  CG    . LYS A 1 4   ? 4.103   14.632  -29.927 1.00 34.98 ? 14  LYS A CG    1 
ATOM   21   C  CD    . LYS A 1 4   ? 3.417   14.408  -31.270 1.00 44.12 ? 14  LYS A CD    1 
ATOM   22   C  CE    . LYS A 1 4   ? 3.517   12.945  -31.676 1.00 51.85 ? 14  LYS A CE    1 
ATOM   23   N  NZ    . LYS A 1 4   ? 2.860   12.095  -30.642 1.00 52.17 ? 14  LYS A NZ    1 
ATOM   24   N  N     . TYR A 1 5   ? 2.602   15.445  -26.515 1.00 20.48 ? 15  TYR A N     1 
ATOM   25   C  CA    . TYR A 1 5   ? 1.897   14.543  -25.608 1.00 18.67 ? 15  TYR A CA    1 
ATOM   26   C  C     . TYR A 1 5   ? 0.451   14.481  -26.049 1.00 19.27 ? 15  TYR A C     1 
ATOM   27   O  O     . TYR A 1 5   ? -0.187  15.530  -26.245 1.00 20.27 ? 15  TYR A O     1 
ATOM   28   C  CB    . TYR A 1 5   ? 1.949   15.036  -24.138 1.00 18.54 ? 15  TYR A CB    1 
ATOM   29   C  CG    . TYR A 1 5   ? 3.389   15.140  -23.647 1.00 19.72 ? 15  TYR A CG    1 
ATOM   30   C  CD1   . TYR A 1 5   ? 4.012   14.030  -23.122 1.00 26.33 ? 15  TYR A CD1   1 
ATOM   31   C  CD2   . TYR A 1 5   ? 4.090   16.344  -23.730 1.00 22.61 ? 15  TYR A CD2   1 
ATOM   32   C  CE1   . TYR A 1 5   ? 5.351   14.111  -22.698 1.00 24.04 ? 15  TYR A CE1   1 
ATOM   33   C  CE2   . TYR A 1 5   ? 5.426   16.425  -23.325 1.00 23.24 ? 15  TYR A CE2   1 
ATOM   34   C  CZ    . TYR A 1 5   ? 6.021   15.305  -22.787 1.00 25.38 ? 15  TYR A CZ    1 
ATOM   35   O  OH    . TYR A 1 5   ? 7.344   15.317  -22.371 1.00 26.34 ? 15  TYR A OH    1 
ATOM   36   N  N     . ARG A 1 6   ? -0.073  13.260  -26.140 1.00 18.57 ? 16  ARG A N     1 
ATOM   37   C  CA    . ARG A 1 6   ? -1.494  13.029  -26.432 1.00 17.91 ? 16  ARG A CA    1 
ATOM   38   C  C     . ARG A 1 6   ? -2.209  12.915  -25.092 1.00 20.32 ? 16  ARG A C     1 
ATOM   39   O  O     . ARG A 1 6   ? -2.106  11.907  -24.388 1.00 19.67 ? 16  ARG A O     1 
ATOM   40   C  CB    . ARG A 1 6   ? -1.660  11.764  -27.271 1.00 22.08 ? 16  ARG A CB    1 
ATOM   41   C  CG    . ARG A 1 6   ? -1.077  11.865  -28.664 1.00 31.65 ? 16  ARG A CG    1 
ATOM   42   C  CD    . ARG A 1 6   ? -1.390  10.604  -29.480 1.00 40.92 ? 16  ARG A CD    1 
ATOM   43   N  NE    . ARG A 1 6   ? -2.816  10.312  -29.562 1.00 55.74 ? 16  ARG A NE    1 
ATOM   44   C  CZ    . ARG A 1 6   ? -3.643  10.837  -30.458 1.00 59.73 ? 16  ARG A CZ    1 
ATOM   45   N  NH1   . ARG A 1 6   ? -3.237  11.757  -31.325 1.00 61.57 ? 16  ARG A NH1   1 
ATOM   46   N  NH2   . ARG A 1 6   ? -4.911  10.433  -30.484 1.00 53.14 ? 16  ARG A NH2   1 
ATOM   47   N  N     . LEU A 1 7   ? -2.959  13.943  -24.730 1.00 18.00 ? 17  LEU A N     1 
ATOM   48   C  CA    . LEU A 1 7   ? -3.619  14.022  -23.444 1.00 15.55 ? 17  LEU A CA    1 
ATOM   49   C  C     . LEU A 1 7   ? -5.102  13.810  -23.710 1.00 18.55 ? 17  LEU A C     1 
ATOM   50   O  O     . LEU A 1 7   ? -5.625  14.235  -24.752 1.00 21.64 ? 17  LEU A O     1 
ATOM   51   C  CB    . LEU A 1 7   ? -3.453  15.397  -22.799 1.00 16.48 ? 17  LEU A CB    1 
ATOM   52   C  CG    . LEU A 1 7   ? -1.982  15.848  -22.659 1.00 17.08 ? 17  LEU A CG    1 
ATOM   53   C  CD1   . LEU A 1 7   ? -1.954  17.131  -21.844 1.00 21.46 ? 17  LEU A CD1   1 
ATOM   54   C  CD2   . LEU A 1 7   ? -1.143  14.799  -21.960 1.00 21.48 ? 17  LEU A CD2   1 
ATOM   55   N  N     . VAL A 1 8   ? -5.759  13.120  -22.791 1.00 15.44 ? 18  VAL A N     1 
ATOM   56   C  CA    . VAL A 1 8   ? -7.179  12.807  -22.980 1.00 16.70 ? 18  VAL A CA    1 
ATOM   57   C  C     . VAL A 1 8   ? -7.943  13.209  -21.736 1.00 17.01 ? 18  VAL A C     1 
ATOM   58   O  O     . VAL A 1 8   ? -7.584  12.828  -20.621 1.00 17.61 ? 18  VAL A O     1 
ATOM   59   C  CB    . VAL A 1 8   ? -7.366  11.312  -23.267 1.00 16.63 ? 18  VAL A CB    1 
ATOM   60   C  CG1   . VAL A 1 8   ? -8.855  11.077  -23.514 1.00 16.29 ? 18  VAL A CG1   1 
ATOM   61   C  CG2   . VAL A 1 8   ? -6.597  10.856  -24.499 1.00 19.34 ? 18  VAL A CG2   1 
ATOM   62   N  N     . VAL A 1 9   ? -9.042  13.937  -21.924 1.00 16.36 ? 19  VAL A N     1 
ATOM   63   C  CA    . VAL A 1 9   ? -9.891  14.425  -20.827 1.00 17.90 ? 19  VAL A CA    1 
ATOM   64   C  C     . VAL A 1 9   ? -11.134 13.544  -20.745 1.00 15.10 ? 19  VAL A C     1 
ATOM   65   O  O     . VAL A 1 9   ? -11.887 13.445  -21.719 1.00 20.23 ? 19  VAL A O     1 
ATOM   66   C  CB    . VAL A 1 9   ? -10.287 15.892  -21.034 1.00 18.40 ? 19  VAL A CB    1 
ATOM   67   C  CG1   . VAL A 1 9   ? -11.001 16.363  -19.792 1.00 19.60 ? 19  VAL A CG1   1 
ATOM   68   C  CG2   . VAL A 1 9   ? -9.044  16.799  -21.337 1.00 17.73 ? 19  VAL A CG2   1 
ATOM   69   N  N     . VAL A 1 10  ? -11.289 12.851  -19.613 1.00 16.02 ? 20  VAL A N     1 
ATOM   70   C  CA    . VAL A 1 10  ? -12.380 11.866  -19.451 1.00 16.12 ? 20  VAL A CA    1 
ATOM   71   C  C     . VAL A 1 10  ? -13.138 12.104  -18.160 1.00 18.90 ? 20  VAL A C     1 
ATOM   72   O  O     . VAL A 1 10  ? -12.682 12.787  -17.235 1.00 19.35 ? 20  VAL A O     1 
ATOM   73   C  CB    . VAL A 1 10  ? -11.864 10.395  -19.472 1.00 18.85 ? 20  VAL A CB    1 
ATOM   74   C  CG1   . VAL A 1 10  ? -11.068 10.133  -20.763 1.00 19.07 ? 20  VAL A CG1   1 
ATOM   75   C  CG2   . VAL A 1 10  ? -11.072 10.099  -18.219 1.00 17.02 ? 20  VAL A CG2   1 
ATOM   76   N  N     . GLY A 1 11  ? -14.339 11.523  -18.107 1.00 19.48 ? 21  GLY A N     1 
ATOM   77   C  CA    . GLY A 1 11  ? -15.197 11.642  -16.953 1.00 21.38 ? 21  GLY A CA    1 
ATOM   78   C  C     . GLY A 1 11  ? -16.655 11.710  -17.368 1.00 20.39 ? 21  GLY A C     1 
ATOM   79   O  O     . GLY A 1 11  ? -16.999 11.826  -18.548 1.00 20.14 ? 21  GLY A O     1 
ATOM   80   N  N     . GLY A 1 12  ? -17.505 11.671  -16.358 1.00 21.02 ? 22  GLY A N     1 
ATOM   81   C  CA    . GLY A 1 12  ? -18.949 11.600  -16.561 1.00 22.38 ? 22  GLY A CA    1 
ATOM   82   C  C     . GLY A 1 12  ? -19.534 12.866  -17.198 1.00 23.67 ? 22  GLY A C     1 
ATOM   83   O  O     . GLY A 1 12  ? -18.914 13.922  -17.292 1.00 24.23 ? 22  GLY A O     1 
ATOM   84   N  N     . GLY A 1 13  ? -20.800 12.745  -17.611 1.00 22.75 ? 23  GLY A N     1 
ATOM   85   C  CA    . GLY A 1 13  ? -21.435 13.836  -18.341 1.00 25.68 ? 23  GLY A CA    1 
ATOM   86   C  C     . GLY A 1 13  ? -21.589 15.093  -17.492 1.00 23.65 ? 23  GLY A C     1 
ATOM   87   O  O     . GLY A 1 13  ? -21.923 15.032  -16.309 1.00 25.68 ? 23  GLY A O     1 
ATOM   88   N  N     . GLY A 1 14  ? -21.308 16.243  -18.101 1.00 23.77 ? 24  GLY A N     1 
ATOM   89   C  CA    . GLY A 1 14  ? -21.555 17.534  -17.478 1.00 24.74 ? 24  GLY A CA    1 
ATOM   90   C  C     . GLY A 1 14  ? -20.572 17.976  -16.413 1.00 22.59 ? 24  GLY A C     1 
ATOM   91   O  O     . GLY A 1 14  ? -20.807 19.020  -15.771 1.00 23.76 ? 24  GLY A O     1 
ATOM   92   N  N     . VAL A 1 15  ? -19.470 17.250  -16.213 1.00 21.50 ? 25  VAL A N     1 
ATOM   93   C  CA    . VAL A 1 15  ? -18.544 17.607  -15.138 1.00 21.46 ? 25  VAL A CA    1 
ATOM   94   C  C     . VAL A 1 15  ? -17.651 18.780  -15.504 1.00 19.78 ? 25  VAL A C     1 
ATOM   95   O  O     . VAL A 1 15  ? -16.979 19.334  -14.621 1.00 22.71 ? 25  VAL A O     1 
ATOM   96   C  CB    . VAL A 1 15  ? -17.660 16.429  -14.701 1.00 21.81 ? 25  VAL A CB    1 
ATOM   97   C  CG1   . VAL A 1 15  ? -18.543 15.293  -14.179 1.00 23.20 ? 25  VAL A CG1   1 
ATOM   98   C  CG2   . VAL A 1 15  ? -16.776 15.960  -15.862 1.00 22.51 ? 25  VAL A CG2   1 
ATOM   99   N  N     . GLY A 1 16  ? -17.609 19.167  -16.768 1.00 19.70 ? 26  GLY A N     1 
ATOM   100  C  CA    . GLY A 1 16  ? -16.866 20.352  -17.209 1.00 18.77 ? 26  GLY A CA    1 
ATOM   101  C  C     . GLY A 1 16  ? -15.600 20.002  -18.007 1.00 20.11 ? 26  GLY A C     1 
ATOM   102  O  O     . GLY A 1 16  ? -14.664 20.820  -18.035 1.00 20.59 ? 26  GLY A O     1 
ATOM   103  N  N     . LYS A 1 17  ? -15.557 18.813  -18.643 1.00 16.52 ? 27  LYS A N     1 
ATOM   104  C  CA    . LYS A 1 17  ? -14.393 18.441  -19.469 1.00 18.94 ? 27  LYS A CA    1 
ATOM   105  C  C     . LYS A 1 17  ? -14.163 19.461  -20.576 1.00 18.44 ? 27  LYS A C     1 
ATOM   106  O  O     . LYS A 1 17  ? -13.045 19.939  -20.779 1.00 18.16 ? 27  LYS A O     1 
ATOM   107  C  CB    . LYS A 1 17  ? -14.653 17.078  -20.077 1.00 18.24 ? 27  LYS A CB    1 
ATOM   108  C  CG    . LYS A 1 17  ? -14.699 16.008  -18.993 1.00 18.62 ? 27  LYS A CG    1 
ATOM   109  C  CD    . LYS A 1 17  ? -14.782 14.594  -19.624 1.00 21.13 ? 27  LYS A CD    1 
ATOM   110  C  CE    . LYS A 1 17  ? -16.053 14.425  -20.451 1.00 18.56 ? 27  LYS A CE    1 
ATOM   111  N  NZ    . LYS A 1 17  ? -17.318 14.603  -19.666 1.00 20.56 ? 27  LYS A NZ    1 
ATOM   112  N  N     . SER A 1 18  ? -15.239 19.809  -21.288 1.00 19.95 ? 28  SER A N     1 
ATOM   113  C  CA    . SER A 1 18  ? -15.154 20.753  -22.401 1.00 17.31 ? 28  SER A CA    1 
ATOM   114  C  C     . SER A 1 18  ? -14.842 22.150  -21.893 1.00 19.19 ? 28  SER A C     1 
ATOM   115  O  O     . SER A 1 18  ? -14.017 22.857  -22.495 1.00 20.68 ? 28  SER A O     1 
ATOM   116  C  CB    . SER A 1 18  ? -16.461 20.743  -23.222 1.00 19.17 ? 28  SER A CB    1 
ATOM   117  O  OG    . SER A 1 18  ? -16.580 19.460  -23.888 1.00 20.58 ? 28  SER A OG    1 
ATOM   118  N  N     . ALA A 1 19  ? -15.512 22.571  -20.804 1.00 17.84 ? 29  ALA A N     1 
ATOM   119  C  CA    . ALA A 1 19  ? -15.250 23.916  -20.263 1.00 16.58 ? 29  ALA A CA    1 
ATOM   120  C  C     . ALA A 1 19  ? -13.792 24.057  -19.830 1.00 18.81 ? 29  ALA A C     1 
ATOM   121  O  O     . ALA A 1 19  ? -13.187 25.136  -20.023 1.00 19.70 ? 29  ALA A O     1 
ATOM   122  C  CB    . ALA A 1 19  ? -16.224 24.218  -19.119 1.00 19.73 ? 29  ALA A CB    1 
ATOM   123  N  N     . LEU A 1 20  ? -13.235 23.027  -19.188 1.00 19.04 ? 30  LEU A N     1 
ATOM   124  C  CA    . LEU A 1 20  ? -11.804 23.063  -18.816 1.00 16.99 ? 30  LEU A CA    1 
ATOM   125  C  C     . LEU A 1 20  ? -10.917 23.167  -20.046 1.00 21.11 ? 30  LEU A C     1 
ATOM   126  O  O     . LEU A 1 20  ? -9.956  23.963  -20.072 1.00 19.53 ? 30  LEU A O     1 
ATOM   127  C  CB    . LEU A 1 20  ? -11.404 21.832  -17.980 1.00 17.31 ? 30  LEU A CB    1 
ATOM   128  C  CG    . LEU A 1 20  ? -11.930 21.804  -16.518 1.00 18.35 ? 30  LEU A CG    1 
ATOM   129  C  CD1   . LEU A 1 20  ? -11.775 20.388  -15.894 1.00 21.69 ? 30  LEU A CD1   1 
ATOM   130  C  CD2   . LEU A 1 20  ? -11.211 22.833  -15.650 1.00 21.55 ? 30  LEU A CD2   1 
ATOM   131  N  N     . THR A 1 21  ? -11.215 22.370  -21.066 1.00 19.04 ? 31  THR A N     1 
ATOM   132  C  CA    . THR A 1 21  ? -10.384 22.320  -22.258 1.00 20.16 ? 31  THR A CA    1 
ATOM   133  C  C     . THR A 1 21  ? -10.479 23.618  -23.035 1.00 21.53 ? 31  THR A C     1 
ATOM   134  O  O     . THR A 1 21  ? -9.458  24.141  -23.486 1.00 19.32 ? 31  THR A O     1 
ATOM   135  C  CB    . THR A 1 21  ? -10.780 21.126  -23.131 1.00 19.16 ? 31  THR A CB    1 
ATOM   136  O  OG1   . THR A 1 21  ? -10.706 19.908  -22.360 1.00 19.48 ? 31  THR A OG1   1 
ATOM   137  C  CG2   . THR A 1 21  ? -9.899  21.020  -24.371 1.00 20.00 ? 31  THR A CG2   1 
ATOM   138  N  N     . ILE A 1 22  ? -11.678 24.188  -23.145 1.00 17.35 ? 32  ILE A N     1 
ATOM   139  C  CA    . ILE A 1 22  ? -11.835 25.432  -23.882 1.00 18.00 ? 32  ILE A CA    1 
ATOM   140  C  C     . ILE A 1 22  ? -11.184 26.562  -23.119 1.00 21.51 ? 32  ILE A C     1 
ATOM   141  O  O     . ILE A 1 22  ? -10.617 27.472  -23.724 1.00 21.33 ? 32  ILE A O     1 
ATOM   142  C  CB    . ILE A 1 22  ? -13.328 25.684  -24.191 1.00 16.63 ? 32  ILE A CB    1 
ATOM   143  C  CG1   . ILE A 1 22  ? -13.755 24.627  -25.229 1.00 22.77 ? 32  ILE A CG1   1 
ATOM   144  C  CG2   . ILE A 1 22  ? -13.549 27.084  -24.756 1.00 23.12 ? 32  ILE A CG2   1 
ATOM   145  C  CD1   . ILE A 1 22  ? -15.308 24.539  -25.390 1.00 23.20 ? 32  ILE A CD1   1 
ATOM   146  N  N     . GLN A 1 23  ? -11.280 26.552  -21.786 1.00 20.58 ? 33  GLN A N     1 
ATOM   147  C  CA    . GLN A 1 23  ? -10.563 27.589  -21.040 1.00 18.94 ? 33  GLN A CA    1 
ATOM   148  C  C     . GLN A 1 23  ? -9.073  27.462  -21.274 1.00 18.31 ? 33  GLN A C     1 
ATOM   149  O  O     . GLN A 1 23  ? -8.371  28.470  -21.484 1.00 21.54 ? 33  GLN A O     1 
ATOM   150  C  CB    . GLN A 1 23  ? -10.815 27.491  -19.542 1.00 23.52 ? 33  GLN A CB    1 
ATOM   151  C  CG    . GLN A 1 23  ? -12.013 28.330  -19.068 1.00 22.72 ? 33  GLN A CG    1 
ATOM   152  C  CD    . GLN A 1 23  ? -11.679 29.836  -18.927 1.00 22.79 ? 33  GLN A CD    1 
ATOM   153  O  OE1   . GLN A 1 23  ? -10.721 30.388  -19.552 1.00 24.36 ? 33  GLN A OE1   1 
ATOM   154  N  NE2   . GLN A 1 23  ? -12.472 30.504  -18.119 1.00 25.01 ? 33  GLN A NE2   1 
ATOM   155  N  N     . PHE A 1 24  ? -8.566  26.227  -21.232 1.00 18.71 ? 34  PHE A N     1 
ATOM   156  C  CA    . PHE A 1 24  ? -7.137  26.032  -21.460 1.00 17.20 ? 34  PHE A CA    1 
ATOM   157  C  C     . PHE A 1 24  ? -6.701  26.527  -22.840 1.00 20.64 ? 34  PHE A C     1 
ATOM   158  O  O     . PHE A 1 24  ? -5.668  27.200  -22.965 1.00 23.35 ? 34  PHE A O     1 
ATOM   159  C  CB    . PHE A 1 24  ? -6.825  24.547  -21.300 1.00 15.08 ? 34  PHE A CB    1 
ATOM   160  C  CG    . PHE A 1 24  ? -5.345  24.201  -21.472 1.00 18.08 ? 34  PHE A CG    1 
ATOM   161  C  CD1   . PHE A 1 24  ? -4.391  24.698  -20.599 1.00 19.03 ? 34  PHE A CD1   1 
ATOM   162  C  CD2   . PHE A 1 24  ? -4.952  23.230  -22.407 1.00 17.91 ? 34  PHE A CD2   1 
ATOM   163  C  CE1   . PHE A 1 24  ? -3.037  24.354  -20.755 1.00 18.53 ? 34  PHE A CE1   1 
ATOM   164  C  CE2   . PHE A 1 24  ? -3.584  22.888  -22.551 1.00 19.09 ? 34  PHE A CE2   1 
ATOM   165  C  CZ    . PHE A 1 24  ? -2.661  23.454  -21.703 1.00 19.02 ? 34  PHE A CZ    1 
ATOM   166  N  N     . ILE A 1 25  ? -7.456  26.190  -23.899 1.00 18.88 ? 35  ILE A N     1 
ATOM   167  C  CA    . ILE A 1 25  ? -7.054  26.513  -25.271 1.00 20.54 ? 35  ILE A CA    1 
ATOM   168  C  C     . ILE A 1 25  ? -7.358  27.962  -25.626 1.00 22.28 ? 35  ILE A C     1 
ATOM   169  O  O     . ILE A 1 25  ? -6.531  28.646  -26.239 1.00 24.86 ? 35  ILE A O     1 
ATOM   170  C  CB    . ILE A 1 25  ? -7.702  25.558  -26.290 1.00 23.96 ? 35  ILE A CB    1 
ATOM   171  C  CG1   . ILE A 1 25  ? -7.368  24.114  -25.952 1.00 20.43 ? 35  ILE A CG1   1 
ATOM   172  C  CG2   . ILE A 1 25  ? -7.284  25.953  -27.718 1.00 25.78 ? 35  ILE A CG2   1 
ATOM   173  C  CD1   . ILE A 1 25  ? -5.839  23.705  -26.146 1.00 21.39 ? 35  ILE A CD1   1 
ATOM   174  N  N     . GLN A 1 26  ? -8.580  28.412  -25.342 1.00 21.06 ? 36  GLN A N     1 
ATOM   175  C  CA    . GLN A 1 26  ? -9.083  29.700  -25.818 1.00 22.12 ? 36  GLN A CA    1 
ATOM   176  C  C     . GLN A 1 26  ? -9.322  30.740  -24.737 1.00 19.94 ? 36  GLN A C     1 
ATOM   177  O  O     . GLN A 1 26  ? -9.673  31.865  -25.090 1.00 26.71 ? 36  GLN A O     1 
ATOM   178  C  CB    . GLN A 1 26  ? -10.423 29.481  -26.572 1.00 28.45 ? 36  GLN A CB    1 
ATOM   179  C  CG    . GLN A 1 26  ? -10.271 28.500  -27.750 1.00 39.52 ? 36  GLN A CG    1 
ATOM   180  C  CD    . GLN A 1 26  ? -11.588 28.147  -28.449 1.00 48.70 ? 36  GLN A CD    1 
ATOM   181  O  OE1   . GLN A 1 26  ? -12.560 28.886  -28.369 1.00 52.26 ? 36  GLN A OE1   1 
ATOM   182  N  NE2   . GLN A 1 26  ? -11.608 27.013  -29.144 1.00 54.34 ? 36  GLN A NE2   1 
ATOM   183  N  N     . SER A 1 27  ? -9.189  30.410  -23.444 1.00 21.99 ? 37  SER A N     1 
ATOM   184  C  CA    . SER A 1 27  ? -9.316  31.409  -22.362 1.00 23.99 ? 37  SER A CA    1 
ATOM   185  C  C     . SER A 1 27  ? -10.695 32.075  -22.304 1.00 23.14 ? 37  SER A C     1 
ATOM   186  O  O     . SER A 1 27  ? -10.846 33.273  -22.062 1.00 26.11 ? 37  SER A O     1 
ATOM   187  C  CB    . SER A 1 27  ? -8.168  32.434  -22.357 1.00 27.77 ? 37  SER A CB    1 
ATOM   188  O  OG    . SER A 1 27  ? -6.974  31.736  -21.962 1.00 29.33 ? 37  SER A OG    1 
ATOM   189  N  N     . TYR A 1 28  ? -11.726 31.279  -22.519 1.00 23.81 ? 38  TYR A N     1 
ATOM   190  C  CA    A TYR A 1 28  ? -13.117 31.695  -22.402 0.46 25.24 ? 38  TYR A CA    1 
ATOM   191  C  CA    B TYR A 1 28  ? -13.076 31.736  -22.256 0.54 25.18 ? 38  TYR A CA    1 
ATOM   192  C  C     . TYR A 1 28  ? -13.892 30.578  -21.712 1.00 21.11 ? 38  TYR A C     1 
ATOM   193  O  O     . TYR A 1 28  ? -13.570 29.408  -21.883 1.00 20.67 ? 38  TYR A O     1 
ATOM   194  C  CB    A TYR A 1 28  ? -13.689 31.954  -23.805 0.46 30.46 ? 38  TYR A CB    1 
ATOM   195  C  CB    B TYR A 1 28  ? -13.761 32.429  -23.451 0.54 28.21 ? 38  TYR A CB    1 
ATOM   196  C  CG    A TYR A 1 28  ? -15.153 32.333  -23.849 0.46 28.62 ? 38  TYR A CG    1 
ATOM   197  C  CG    B TYR A 1 28  ? -14.419 31.470  -24.416 0.54 28.31 ? 38  TYR A CG    1 
ATOM   198  C  CD1   A TYR A 1 28  ? -15.567 33.653  -23.673 0.46 31.76 ? 38  TYR A CD1   1 
ATOM   199  C  CD1   B TYR A 1 28  ? -13.694 30.861  -25.410 0.54 28.65 ? 38  TYR A CD1   1 
ATOM   200  C  CD2   A TYR A 1 28  ? -16.125 31.369  -24.070 0.46 29.36 ? 38  TYR A CD2   1 
ATOM   201  C  CD2   B TYR A 1 28  ? -15.778 31.196  -24.335 0.54 29.05 ? 38  TYR A CD2   1 
ATOM   202  C  CE1   A TYR A 1 28  ? -16.911 33.998  -23.715 0.46 35.63 ? 38  TYR A CE1   1 
ATOM   203  C  CE1   B TYR A 1 28  ? -14.288 29.983  -26.294 0.54 29.64 ? 38  TYR A CE1   1 
ATOM   204  C  CE2   A TYR A 1 28  ? -17.445 31.704  -24.114 0.46 29.16 ? 38  TYR A CE2   1 
ATOM   205  C  CE2   B TYR A 1 28  ? -16.377 30.321  -25.211 0.54 29.64 ? 38  TYR A CE2   1 
ATOM   206  C  CZ    A TYR A 1 28  ? -17.842 33.011  -23.934 0.46 41.20 ? 38  TYR A CZ    1 
ATOM   207  C  CZ    B TYR A 1 28  ? -15.635 29.719  -26.195 0.54 29.21 ? 38  TYR A CZ    1 
ATOM   208  O  OH    A TYR A 1 28  ? -19.182 33.321  -23.978 0.46 43.33 ? 38  TYR A OH    1 
ATOM   209  O  OH    B TYR A 1 28  ? -16.225 28.836  -27.081 0.54 29.96 ? 38  TYR A OH    1 
ATOM   210  N  N     . PHE A 1 29  ? -14.942 30.947  -20.988 1.00 26.49 ? 39  PHE A N     1 
ATOM   211  C  CA    . PHE A 1 29  ? -15.752 30.001  -20.240 1.00 27.77 ? 39  PHE A CA    1 
ATOM   212  C  C     . PHE A 1 29  ? -17.083 29.774  -20.950 1.00 24.26 ? 39  PHE A C     1 
ATOM   213  O  O     . PHE A 1 29  ? -17.851 30.709  -21.155 1.00 27.71 ? 39  PHE A O     1 
ATOM   214  C  CB    . PHE A 1 29  ? -15.990 30.483  -18.810 1.00 23.96 ? 39  PHE A CB    1 
ATOM   215  C  CG    . PHE A 1 29  ? -16.985 29.650  -18.057 1.00 23.02 ? 39  PHE A CG    1 
ATOM   216  C  CD1   . PHE A 1 29  ? -16.714 28.324  -17.807 1.00 22.92 ? 39  PHE A CD1   1 
ATOM   217  C  CD2   . PHE A 1 29  ? -18.201 30.166  -17.661 1.00 26.74 ? 39  PHE A CD2   1 
ATOM   218  C  CE1   . PHE A 1 29  ? -17.598 27.518  -17.115 1.00 26.36 ? 39  PHE A CE1   1 
ATOM   219  C  CE2   . PHE A 1 29  ? -19.104 29.387  -16.979 1.00 30.58 ? 39  PHE A CE2   1 
ATOM   220  C  CZ    . PHE A 1 29  ? -18.804 28.035  -16.711 1.00 25.99 ? 39  PHE A CZ    1 
ATOM   221  N  N     . VAL A 1 30  ? -17.378 28.514  -21.290 1.00 22.01 ? 40  VAL A N     1 
ATOM   222  C  CA    A VAL A 1 30  ? -18.659 28.189  -21.923 0.64 25.49 ? 40  VAL A CA    1 
ATOM   223  C  CA    B VAL A 1 30  ? -18.648 28.169  -21.925 0.36 25.53 ? 40  VAL A CA    1 
ATOM   224  C  C     . VAL A 1 30  ? -19.733 27.974  -20.864 1.00 26.99 ? 40  VAL A C     1 
ATOM   225  O  O     . VAL A 1 30  ? -19.577 27.155  -19.944 1.00 26.72 ? 40  VAL A O     1 
ATOM   226  C  CB    A VAL A 1 30  ? -18.556 26.964  -22.856 0.64 25.35 ? 40  VAL A CB    1 
ATOM   227  C  CB    B VAL A 1 30  ? -18.485 26.904  -22.784 0.36 25.37 ? 40  VAL A CB    1 
ATOM   228  C  CG1   A VAL A 1 30  ? -17.644 27.244  -24.025 0.64 31.25 ? 40  VAL A CG1   1 
ATOM   229  C  CG1   B VAL A 1 30  ? -19.753 26.612  -23.555 0.36 23.79 ? 40  VAL A CG1   1 
ATOM   230  C  CG2   A VAL A 1 30  ? -18.157 25.672  -22.100 0.64 18.82 ? 40  VAL A CG2   1 
ATOM   231  C  CG2   B VAL A 1 30  ? -17.296 27.052  -23.724 0.36 29.34 ? 40  VAL A CG2   1 
ATOM   232  N  N     . THR A 1 31  ? -20.852 28.683  -21.019 1.00 23.93 ? 41  THR A N     1 
ATOM   233  C  CA    . THR A 1 31  ? -22.026 28.539  -20.164 1.00 26.11 ? 41  THR A CA    1 
ATOM   234  C  C     . THR A 1 31  ? -22.942 27.441  -20.668 1.00 27.27 ? 41  THR A C     1 
ATOM   235  O  O     . THR A 1 31  ? -23.510 26.693  -19.861 1.00 26.38 ? 41  THR A O     1 
ATOM   236  C  CB    . THR A 1 31  ? -22.798 29.873  -20.076 1.00 28.96 ? 41  THR A CB    1 
ATOM   237  O  OG1   . THR A 1 31  ? -21.905 30.808  -19.466 1.00 36.63 ? 41  THR A OG1   1 
ATOM   238  C  CG2   . THR A 1 31  ? -24.019 29.717  -19.218 1.00 35.05 ? 41  THR A CG2   1 
ATOM   239  N  N     . ASP A 1 32  ? -23.100 27.341  -21.984 1.00 26.75 ? 42  ASP A N     1 
ATOM   240  C  CA    . ASP A 1 32  ? -24.022 26.340  -22.509 1.00 30.83 ? 42  ASP A CA    1 
ATOM   241  C  C     . ASP A 1 32  ? -23.373 24.981  -22.311 1.00 26.74 ? 42  ASP A C     1 
ATOM   242  O  O     . ASP A 1 32  ? -22.142 24.871  -22.298 1.00 26.66 ? 42  ASP A O     1 
ATOM   243  C  CB    . ASP A 1 32  ? -24.313 26.585  -23.995 1.00 31.21 ? 42  ASP A CB    1 
ATOM   244  C  CG    . ASP A 1 32  ? -25.080 27.881  -24.250 1.00 40.55 ? 42  ASP A CG    1 
ATOM   245  O  OD1   . ASP A 1 32  ? -25.511 28.538  -23.278 1.00 36.57 ? 42  ASP A OD1   1 
ATOM   246  O  OD2   . ASP A 1 32  ? -25.253 28.247  -25.436 1.00 53.83 ? 42  ASP A OD2   1 
ATOM   247  N  N     . TYR A 1 33  ? -24.206 23.964  -22.075 1.00 27.08 ? 43  TYR A N     1 
ATOM   248  C  CA    . TYR A 1 33  ? -23.799 22.559  -21.900 1.00 24.74 ? 43  TYR A CA    1 
ATOM   249  C  C     . TYR A 1 33  ? -24.213 21.861  -23.196 1.00 24.58 ? 43  TYR A C     1 
ATOM   250  O  O     . TYR A 1 33  ? -25.398 21.568  -23.411 1.00 26.56 ? 43  TYR A O     1 
ATOM   251  C  CB    . TYR A 1 33  ? -24.544 21.996  -20.688 1.00 26.03 ? 43  TYR A CB    1 
ATOM   252  C  CG    . TYR A 1 33  ? -24.401 20.528  -20.335 1.00 25.69 ? 43  TYR A CG    1 
ATOM   253  C  CD1   . TYR A 1 33  ? -23.701 19.637  -21.126 1.00 29.49 ? 43  TYR A CD1   1 
ATOM   254  C  CD2   . TYR A 1 33  ? -24.942 20.073  -19.147 1.00 28.13 ? 43  TYR A CD2   1 
ATOM   255  C  CE1   . TYR A 1 33  ? -23.598 18.267  -20.740 1.00 28.53 ? 43  TYR A CE1   1 
ATOM   256  C  CE2   . TYR A 1 33  ? -24.865 18.766  -18.765 1.00 26.91 ? 43  TYR A CE2   1 
ATOM   257  C  CZ    . TYR A 1 33  ? -24.211 17.870  -19.554 1.00 24.74 ? 43  TYR A CZ    1 
ATOM   258  O  OH    . TYR A 1 33  ? -24.154 16.561  -19.102 1.00 34.52 ? 43  TYR A OH    1 
ATOM   259  N  N     . ASP A 1 34  ? -23.246 21.710  -24.099 1.00 25.45 ? 44  ASP A N     1 
ATOM   260  C  CA    A ASP A 1 34  ? -23.466 21.057  -25.387 0.52 30.09 ? 44  ASP A CA    1 
ATOM   261  C  CA    B ASP A 1 34  ? -23.468 21.054  -25.383 0.48 30.08 ? 44  ASP A CA    1 
ATOM   262  C  C     . ASP A 1 34  ? -22.718 19.744  -25.300 1.00 22.07 ? 44  ASP A C     1 
ATOM   263  O  O     . ASP A 1 34  ? -21.475 19.749  -25.414 1.00 22.57 ? 44  ASP A O     1 
ATOM   264  C  CB    A ASP A 1 34  ? -22.871 21.918  -26.509 0.52 25.75 ? 44  ASP A CB    1 
ATOM   265  C  CB    B ASP A 1 34  ? -22.876 21.913  -26.503 0.48 25.77 ? 44  ASP A CB    1 
ATOM   266  C  CG    A ASP A 1 34  ? -23.662 23.194  -26.755 0.52 31.54 ? 44  ASP A CG    1 
ATOM   267  C  CG    B ASP A 1 34  ? -23.177 21.358  -27.874 0.48 32.77 ? 44  ASP A CG    1 
ATOM   268  O  OD1   A ASP A 1 34  ? -24.901 23.162  -26.615 0.52 35.68 ? 44  ASP A OD1   1 
ATOM   269  O  OD1   B ASP A 1 34  ? -24.028 20.446  -27.983 0.48 34.32 ? 44  ASP A OD1   1 
ATOM   270  O  OD2   A ASP A 1 34  ? -23.045 24.230  -27.095 0.52 39.36 ? 44  ASP A OD2   1 
ATOM   271  O  OD2   B ASP A 1 34  ? -22.579 21.840  -28.851 0.48 36.40 ? 44  ASP A OD2   1 
ATOM   272  N  N     . PRO A 1 35  ? -23.395 18.607  -25.104 1.00 22.75 ? 45  PRO A N     1 
ATOM   273  C  CA    . PRO A 1 35  ? -22.681 17.331  -24.907 1.00 30.45 ? 45  PRO A CA    1 
ATOM   274  C  C     . PRO A 1 35  ? -21.753 17.022  -26.075 1.00 22.25 ? 45  PRO A C     1 
ATOM   275  O  O     . PRO A 1 35  ? -22.108 17.187  -27.250 1.00 26.19 ? 45  PRO A O     1 
ATOM   276  C  CB    . PRO A 1 35  ? -23.809 16.297  -24.785 1.00 26.80 ? 45  PRO A CB    1 
ATOM   277  C  CG    . PRO A 1 35  ? -24.997 17.092  -24.230 1.00 25.68 ? 45  PRO A CG    1 
ATOM   278  C  CD    . PRO A 1 35  ? -24.855 18.460  -24.879 1.00 24.35 ? 45  PRO A CD    1 
ATOM   279  N  N     . THR A 1 36  ? -20.559 16.552  -25.733 1.00 21.91 ? 46  THR A N     1 
ATOM   280  C  CA    . THR A 1 36  ? -19.508 16.276  -26.696 1.00 24.49 ? 46  THR A CA    1 
ATOM   281  C  C     . THR A 1 36  ? -19.570 14.824  -27.156 1.00 21.37 ? 46  THR A C     1 
ATOM   282  O  O     . THR A 1 36  ? -19.831 13.916  -26.360 1.00 25.77 ? 46  THR A O     1 
ATOM   283  C  CB    . THR A 1 36  ? -18.168 16.487  -26.000 1.00 22.56 ? 46  THR A CB    1 
ATOM   284  O  OG1   . THR A 1 36  ? -18.145 17.788  -25.374 1.00 20.46 ? 46  THR A OG1   1 
ATOM   285  C  CG2   . THR A 1 36  ? -16.950 16.301  -26.961 1.00 22.22 ? 46  THR A CG2   1 
ATOM   286  N  N     . ILE A 1 37  ? -19.370 14.609  -28.458 1.00 23.82 ? 47  ILE A N     1 
ATOM   287  C  CA    . ILE A 1 37  ? -19.013 13.274  -28.964 1.00 23.18 ? 47  ILE A CA    1 
ATOM   288  C  C     . ILE A 1 37  ? -17.503 13.074  -28.821 1.00 25.19 ? 47  ILE A C     1 
ATOM   289  O  O     . ILE A 1 37  ? -17.052 12.275  -27.984 1.00 27.08 ? 47  ILE A O     1 
ATOM   290  C  CB    . ILE A 1 37  ? -19.498 13.100  -30.410 1.00 23.35 ? 47  ILE A CB    1 
ATOM   291  C  CG1   . ILE A 1 37  ? -21.027 13.257  -30.493 1.00 24.89 ? 47  ILE A CG1   1 
ATOM   292  C  CG2   . ILE A 1 37  ? -19.095 11.738  -30.940 1.00 30.16 ? 47  ILE A CG2   1 
ATOM   293  C  CD1   . ILE A 1 37  ? -21.546 13.270  -31.893 1.00 31.92 ? 47  ILE A CD1   1 
ATOM   294  N  N     . GLU A 1 38  ? -16.694 13.802  -29.602 1.00 23.15 ? 48  GLU A N     1 
ATOM   295  C  CA    . GLU A 1 38  ? -15.252 13.788  -29.361 1.00 21.43 ? 48  GLU A CA    1 
ATOM   296  C  C     . GLU A 1 38  ? -14.632 14.935  -30.141 1.00 19.18 ? 48  GLU A C     1 
ATOM   297  O  O     . GLU A 1 38  ? -14.827 14.997  -31.364 1.00 24.76 ? 48  GLU A O     1 
ATOM   298  C  CB    . GLU A 1 38  ? -14.637 12.465  -29.815 1.00 28.10 ? 48  GLU A CB    1 
ATOM   299  C  CG    . GLU A 1 38  ? -13.211 12.224  -29.284 1.00 25.90 ? 48  GLU A CG    1 
ATOM   300  C  CD    . GLU A 1 38  ? -12.761 10.802  -29.591 1.00 36.42 ? 48  GLU A CD    1 
ATOM   301  O  OE1   . GLU A 1 38  ? -13.265 9.856   -28.927 1.00 34.68 ? 48  GLU A OE1   1 
ATOM   302  O  OE2   . GLU A 1 38  ? -11.937 10.625  -30.517 1.00 39.70 ? 48  GLU A OE2   1 
ATOM   303  N  N     . ASP A 1 39  ? -13.890 15.801  -29.456 1.00 22.36 ? 49  ASP A N     1 
ATOM   304  C  CA    . ASP A 1 39  ? -13.268 16.977  -30.052 1.00 22.07 ? 49  ASP A CA    1 
ATOM   305  C  C     . ASP A 1 39  ? -11.763 16.966  -29.784 1.00 21.00 ? 49  ASP A C     1 
ATOM   306  O  O     . ASP A 1 39  ? -11.310 16.440  -28.771 1.00 22.14 ? 49  ASP A O     1 
ATOM   307  C  CB    . ASP A 1 39  ? -13.840 18.268  -29.458 1.00 23.07 ? 49  ASP A CB    1 
ATOM   308  C  CG    . ASP A 1 39  ? -15.271 18.557  -29.926 1.00 28.13 ? 49  ASP A CG    1 
ATOM   309  O  OD1   . ASP A 1 39  ? -15.619 18.185  -31.056 1.00 30.63 ? 49  ASP A OD1   1 
ATOM   310  O  OD2   . ASP A 1 39  ? -16.032 19.177  -29.157 1.00 32.75 ? 49  ASP A OD2   1 
ATOM   311  N  N     . SER A 1 40  ? -11.012 17.590  -30.681 1.00 23.75 ? 50  SER A N     1 
ATOM   312  C  CA    . SER A 1 40  ? -9.550  17.622  -30.581 1.00 20.37 ? 50  SER A CA    1 
ATOM   313  C  C     . SER A 1 40  ? -9.061  19.059  -30.605 1.00 20.14 ? 50  SER A C     1 
ATOM   314  O  O     . SER A 1 40  ? -9.604  19.890  -31.333 1.00 21.63 ? 50  SER A O     1 
ATOM   315  C  CB    . SER A 1 40  ? -8.968  16.935  -31.790 1.00 24.73 ? 50  SER A CB    1 
ATOM   316  O  OG    . SER A 1 40  ? -9.214  15.539  -31.753 1.00 40.34 ? 50  SER A OG    1 
ATOM   317  N  N     . TYR A 1 41  ? -7.998  19.310  -29.845 1.00 20.54 ? 51  TYR A N     1 
ATOM   318  C  CA    . TYR A 1 41  ? -7.411  20.636  -29.747 1.00 19.85 ? 51  TYR A CA    1 
ATOM   319  C  C     . TYR A 1 41  ? -5.906  20.467  -29.594 1.00 20.42 ? 51  TYR A C     1 
ATOM   320  O  O     . TYR A 1 41  ? -5.415  19.375  -29.275 1.00 21.84 ? 51  TYR A O     1 
ATOM   321  C  CB    . TYR A 1 41  ? -7.898  21.372  -28.506 1.00 19.36 ? 51  TYR A CB    1 
ATOM   322  C  CG    . TYR A 1 41  ? -9.405  21.592  -28.437 1.00 20.17 ? 51  TYR A CG    1 
ATOM   323  C  CD1   . TYR A 1 41  ? -10.222 20.658  -27.828 1.00 21.42 ? 51  TYR A CD1   1 
ATOM   324  C  CD2   . TYR A 1 41  ? -9.961  22.775  -28.908 1.00 22.86 ? 51  TYR A CD2   1 
ATOM   325  C  CE1   . TYR A 1 41  ? -11.599 20.861  -27.728 1.00 18.84 ? 51  TYR A CE1   1 
ATOM   326  C  CE2   . TYR A 1 41  ? -11.348 22.990  -28.826 1.00 23.06 ? 51  TYR A CE2   1 
ATOM   327  C  CZ    . TYR A 1 41  ? -12.137 22.021  -28.232 1.00 24.36 ? 51  TYR A CZ    1 
ATOM   328  O  OH    . TYR A 1 41  ? -13.503 22.204  -28.151 1.00 25.35 ? 51  TYR A OH    1 
ATOM   329  N  N     . THR A 1 42  ? -5.167  21.547  -29.843 1.00 19.39 ? 52  THR A N     1 
ATOM   330  C  CA    A THR A 1 42  ? -3.720  21.522  -29.664 0.58 21.37 ? 52  THR A CA    1 
ATOM   331  C  CA    B THR A 1 42  ? -3.717  21.531  -29.676 0.42 21.39 ? 52  THR A CA    1 
ATOM   332  C  C     . THR A 1 42  ? -3.270  22.844  -29.049 1.00 22.15 ? 52  THR A C     1 
ATOM   333  O  O     . THR A 1 42  ? -3.871  23.900  -29.280 1.00 21.73 ? 52  THR A O     1 
ATOM   334  C  CB    A THR A 1 42  ? -3.010  21.208  -31.001 0.58 22.09 ? 52  THR A CB    1 
ATOM   335  C  CB    B THR A 1 42  ? -2.969  21.331  -31.010 0.42 22.16 ? 52  THR A CB    1 
ATOM   336  O  OG1   A THR A 1 42  ? -1.585  21.106  -30.817 0.58 21.47 ? 52  THR A OG1   1 
ATOM   337  O  OG1   B THR A 1 42  ? -3.249  22.403  -31.922 0.42 32.86 ? 52  THR A OG1   1 
ATOM   338  C  CG2   A THR A 1 42  ? -3.283  22.264  -32.060 0.58 32.70 ? 52  THR A CG2   1 
ATOM   339  C  CG2   B THR A 1 42  ? -3.318  19.999  -31.666 0.42 21.62 ? 52  THR A CG2   1 
ATOM   340  N  N     . LYS A 1 43  ? -2.182  22.785  -28.274 1.00 20.39 ? 53  LYS A N     1 
ATOM   341  C  CA    . LYS A 1 43  ? -1.598  23.990  -27.694 1.00 19.13 ? 53  LYS A CA    1 
ATOM   342  C  C     . LYS A 1 43  ? -0.103  23.767  -27.520 1.00 20.04 ? 53  LYS A C     1 
ATOM   343  O  O     . LYS A 1 43  ? 0.317   22.708  -27.050 1.00 21.91 ? 53  LYS A O     1 
ATOM   344  C  CB    . LYS A 1 43  ? -2.195  24.299  -26.307 1.00 19.85 ? 53  LYS A CB    1 
ATOM   345  C  CG    . LYS A 1 43  ? -1.891  25.720  -25.787 1.00 22.70 ? 53  LYS A CG    1 
ATOM   346  C  CD    . LYS A 1 43  ? -2.415  25.924  -24.345 1.00 22.74 ? 53  LYS A CD    1 
ATOM   347  C  CE    . LYS A 1 43  ? -2.337  27.414  -23.938 1.00 24.48 ? 53  LYS A CE    1 
ATOM   348  N  NZ    . LYS A 1 43  ? -2.910  27.592  -22.551 1.00 25.25 ? 53  LYS A NZ    1 
ATOM   349  N  N     . GLN A 1 44  ? 0.690   24.778  -27.854 1.00 19.25 ? 54  GLN A N     1 
ATOM   350  C  CA    . GLN A 1 44  ? 2.130   24.768  -27.582 1.00 20.38 ? 54  GLN A CA    1 
ATOM   351  C  C     . GLN A 1 44  ? 2.383   25.396  -26.210 1.00 24.21 ? 54  GLN A C     1 
ATOM   352  O  O     . GLN A 1 44  ? 1.965   26.539  -25.960 1.00 24.79 ? 54  GLN A O     1 
ATOM   353  C  CB    . GLN A 1 44  ? 2.831   25.568  -28.651 1.00 25.01 ? 54  GLN A CB    1 
ATOM   354  C  CG    . GLN A 1 44  ? 2.755   25.034  -30.043 1.00 30.39 ? 54  GLN A CG    1 
ATOM   355  C  CD    . GLN A 1 44  ? 3.657   23.834  -30.261 1.00 40.73 ? 54  GLN A CD    1 
ATOM   356  O  OE1   . GLN A 1 44  ? 4.487   23.485  -29.405 1.00 35.19 ? 54  GLN A OE1   1 
ATOM   357  N  NE2   . GLN A 1 44  ? 3.503   23.197  -31.411 1.00 41.90 ? 54  GLN A NE2   1 
ATOM   358  N  N     . CYS A 1 45  ? 3.057   24.663  -25.331 1.00 22.42 ? 55  CYS A N     1 
ATOM   359  C  CA    . CYS A 1 45  ? 3.286   25.056  -23.947 1.00 22.41 ? 55  CYS A CA    1 
ATOM   360  C  C     . CYS A 1 45  ? 4.763   24.901  -23.613 1.00 26.82 ? 55  CYS A C     1 
ATOM   361  O  O     . CYS A 1 45  ? 5.540   24.238  -24.323 1.00 24.62 ? 55  CYS A O     1 
ATOM   362  C  CB    . CYS A 1 45  ? 2.510   24.183  -22.935 1.00 21.45 ? 55  CYS A CB    1 
ATOM   363  S  SG    . CYS A 1 45  ? 0.783   24.202  -23.117 1.00 24.13 ? 55  CYS A SG    1 
ATOM   364  N  N     . VAL A 1 46  ? 5.149   25.544  -22.521 1.00 22.06 ? 56  VAL A N     1 
ATOM   365  C  CA    . VAL A 1 46  ? 6.486   25.376  -21.919 1.00 20.67 ? 56  VAL A CA    1 
ATOM   366  C  C     . VAL A 1 46  ? 6.260   24.918  -20.488 1.00 28.34 ? 56  VAL A C     1 
ATOM   367  O  O     . VAL A 1 46  ? 5.658   25.641  -19.687 1.00 32.20 ? 56  VAL A O     1 
ATOM   368  C  CB    . VAL A 1 46  ? 7.311   26.675  -21.959 1.00 23.05 ? 56  VAL A CB    1 
ATOM   369  C  CG1   . VAL A 1 46  ? 8.667   26.468  -21.272 1.00 26.33 ? 56  VAL A CG1   1 
ATOM   370  C  CG2   . VAL A 1 46  ? 7.588   27.077  -23.379 1.00 27.04 ? 56  VAL A CG2   1 
ATOM   371  N  N     . ILE A 1 47  ? 6.699   23.704  -20.167 1.00 23.21 ? 57  ILE A N     1 
ATOM   372  C  CA    . ILE A 1 47  ? 6.446   23.113  -18.855 1.00 20.25 ? 57  ILE A CA    1 
ATOM   373  C  C     . ILE A 1 47  ? 7.795   22.789  -18.226 1.00 22.86 ? 57  ILE A C     1 
ATOM   374  O  O     . ILE A 1 47  ? 8.571   21.994  -18.784 1.00 24.06 ? 57  ILE A O     1 
ATOM   375  C  CB    . ILE A 1 47  ? 5.573   21.873  -18.993 1.00 21.26 ? 57  ILE A CB    1 
ATOM   376  C  CG1   . ILE A 1 47  ? 4.230   22.341  -19.599 1.00 23.01 ? 57  ILE A CG1   1 
ATOM   377  C  CG2   . ILE A 1 47  ? 5.314   21.273  -17.642 1.00 21.92 ? 57  ILE A CG2   1 
ATOM   378  C  CD1   . ILE A 1 47  ? 3.454   21.210  -20.242 1.00 23.02 ? 57  ILE A CD1   1 
ATOM   379  N  N     . ASP A 1 48  ? 8.105   23.438  -17.090 1.00 22.46 ? 58  ASP A N     1 
ATOM   380  C  CA    . ASP A 1 48  ? 9.412   23.295  -16.447 1.00 22.92 ? 58  ASP A CA    1 
ATOM   381  C  C     . ASP A 1 48  ? 10.530  23.639  -17.442 1.00 25.18 ? 58  ASP A C     1 
ATOM   382  O  O     . ASP A 1 48  ? 11.546  22.952  -17.531 1.00 25.66 ? 58  ASP A O     1 
ATOM   383  C  CB    . ASP A 1 48  ? 9.608   21.905  -15.796 1.00 23.36 ? 58  ASP A CB    1 
ATOM   384  C  CG    . ASP A 1 48  ? 8.517   21.547  -14.805 1.00 31.14 ? 58  ASP A CG    1 
ATOM   385  O  OD1   . ASP A 1 48  ? 7.897   22.458  -14.226 1.00 31.94 ? 58  ASP A OD1   1 
ATOM   386  O  OD2   . ASP A 1 48  ? 8.298   20.328  -14.605 1.00 28.80 ? 58  ASP A OD2   1 
ATOM   387  N  N     . ASP A 1 49  ? 10.337  24.723  -18.206 1.00 24.70 ? 59  ASP A N     1 
ATOM   388  C  CA    . ASP A 1 49  ? 11.287  25.239  -19.208 1.00 23.94 ? 59  ASP A CA    1 
ATOM   389  C  C     . ASP A 1 49  ? 11.494  24.265  -20.384 1.00 24.73 ? 59  ASP A C     1 
ATOM   390  O  O     . ASP A 1 49  ? 12.370  24.492  -21.212 1.00 25.29 ? 59  ASP A O     1 
ATOM   391  C  CB    . ASP A 1 49  ? 12.640  25.686  -18.610 1.00 26.01 ? 59  ASP A CB    1 
ATOM   392  C  CG    . ASP A 1 49  ? 12.547  27.072  -17.994 1.00 28.17 ? 59  ASP A CG    1 
ATOM   393  O  OD1   . ASP A 1 49  ? 11.860  27.920  -18.628 1.00 30.37 ? 59  ASP A OD1   1 
ATOM   394  O  OD2   . ASP A 1 49  ? 13.093  27.286  -16.902 1.00 38.16 ? 59  ASP A OD2   1 
ATOM   395  N  N     . ARG A 1 50  ? 10.638  23.249  -20.518 1.00 25.97 ? 60  ARG A N     1 
ATOM   396  C  CA    . ARG A 1 50  ? 10.761  22.234  -21.568 1.00 24.45 ? 60  ARG A CA    1 
ATOM   397  C  C     . ARG A 1 50  ? 9.534   22.308  -22.474 1.00 21.06 ? 60  ARG A C     1 
ATOM   398  O  O     . ARG A 1 50  ? 8.405   22.016  -22.040 1.00 23.07 ? 60  ARG A O     1 
ATOM   399  C  CB    . ARG A 1 50  ? 10.909  20.867  -20.920 1.00 21.74 ? 60  ARG A CB    1 
ATOM   400  C  CG    . ARG A 1 50  ? 11.214  19.710  -21.864 1.00 26.75 ? 60  ARG A CG    1 
ATOM   401  C  CD    . ARG A 1 50  ? 11.415  18.452  -21.002 1.00 26.35 ? 60  ARG A CD    1 
ATOM   402  N  NE    . ARG A 1 50  ? 11.355  17.244  -21.799 1.00 27.56 ? 60  ARG A NE    1 
ATOM   403  C  CZ    . ARG A 1 50  ? 11.428  16.018  -21.295 1.00 30.21 ? 60  ARG A CZ    1 
ATOM   404  N  NH1   . ARG A 1 50  ? 11.531  15.817  -19.989 1.00 29.45 ? 60  ARG A NH1   1 
ATOM   405  N  NH2   . ARG A 1 50  ? 11.349  14.975  -22.117 1.00 31.52 ? 60  ARG A NH2   1 
ATOM   406  N  N     . ALA A 1 51  ? 9.745   22.731  -23.724 1.00 24.44 ? 61  ALA A N     1 
ATOM   407  C  CA    . ALA A 1 51  ? 8.616   22.983  -24.616 1.00 24.31 ? 61  ALA A CA    1 
ATOM   408  C  C     . ALA A 1 51  ? 7.936   21.663  -24.987 1.00 22.87 ? 61  ALA A C     1 
ATOM   409  O  O     . ALA A 1 51  ? 8.596   20.632  -25.164 1.00 26.90 ? 61  ALA A O     1 
ATOM   410  C  CB    . ALA A 1 51  ? 9.104   23.628  -25.898 1.00 22.91 ? 61  ALA A CB    1 
ATOM   411  N  N     . ALA A 1 52  ? 6.611   21.721  -25.143 1.00 22.81 ? 62  ALA A N     1 
ATOM   412  C  CA    . ALA A 1 52  ? 5.872   20.529  -25.491 1.00 25.82 ? 62  ALA A CA    1 
ATOM   413  C  C     . ALA A 1 52  ? 4.625   20.974  -26.232 1.00 25.91 ? 62  ALA A C     1 
ATOM   414  O  O     . ALA A 1 52  ? 4.004   21.985  -25.868 1.00 24.33 ? 62  ALA A O     1 
ATOM   415  C  CB    . ALA A 1 52  ? 5.456   19.794  -24.216 1.00 32.62 ? 62  ALA A CB    1 
ATOM   416  N  N     . ARG A 1 53  ? 4.282   20.261  -27.289 1.00 21.17 ? 63  ARG A N     1 
ATOM   417  C  CA    . ARG A 1 53  ? 2.943   20.425  -27.875 1.00 17.21 ? 63  ARG A CA    1 
ATOM   418  C  C     . ARG A 1 53  ? 1.972   19.468  -27.208 1.00 20.62 ? 63  ARG A C     1 
ATOM   419  O  O     . ARG A 1 53  ? 2.243   18.265  -27.123 1.00 19.28 ? 63  ARG A O     1 
ATOM   420  C  CB    . ARG A 1 53  ? 3.000   20.222  -29.386 1.00 18.52 ? 63  ARG A CB    1 
ATOM   421  C  CG    . ARG A 1 53  ? 1.660   20.540  -30.055 1.00 22.68 ? 63  ARG A CG    1 
ATOM   422  C  CD    . ARG A 1 53  ? 1.658   20.198  -31.512 1.00 24.58 ? 63  ARG A CD    1 
ATOM   423  N  NE    . ARG A 1 53  ? 1.318   18.788  -31.708 1.00 22.83 ? 63  ARG A NE    1 
ATOM   424  C  CZ    . ARG A 1 53  ? 2.047   17.915  -32.388 1.00 21.96 ? 63  ARG A CZ    1 
ATOM   425  N  NH1   . ARG A 1 53  ? 3.213   18.239  -32.948 1.00 25.59 ? 63  ARG A NH1   1 
ATOM   426  N  NH2   . ARG A 1 53  ? 1.600   16.661  -32.512 1.00 25.54 ? 63  ARG A NH2   1 
ATOM   427  N  N     . LEU A 1 54  ? 0.851   20.001  -26.729 1.00 18.77 ? 64  LEU A N     1 
ATOM   428  C  CA    . LEU A 1 54  ? -0.174  19.197  -26.082 1.00 18.40 ? 64  LEU A CA    1 
ATOM   429  C  C     . LEU A 1 54  ? -1.348  18.989  -27.049 1.00 19.21 ? 64  LEU A C     1 
ATOM   430  O  O     . LEU A 1 54  ? -2.041  19.964  -27.420 1.00 20.82 ? 64  LEU A O     1 
ATOM   431  C  CB    . LEU A 1 54  ? -0.640  19.885  -24.803 1.00 21.78 ? 64  LEU A CB    1 
ATOM   432  C  CG    . LEU A 1 54  ? 0.157   19.741  -23.510 1.00 21.81 ? 64  LEU A CG    1 
ATOM   433  C  CD1   . LEU A 1 54  ? 1.672   19.992  -23.735 1.00 27.04 ? 64  LEU A CD1   1 
ATOM   434  C  CD2   . LEU A 1 54  ? -0.368  20.605  -22.383 1.00 24.41 ? 64  LEU A CD2   1 
ATOM   435  N  N     . ASP A 1 55  ? -1.532  17.750  -27.484 1.00 18.72 ? 65  ASP A N     1 
ATOM   436  C  CA    . ASP A 1 55  ? -2.683  17.368  -28.311 1.00 21.12 ? 65  ASP A CA    1 
ATOM   437  C  C     . ASP A 1 55  ? -3.755  16.820  -27.368 1.00 19.87 ? 65  ASP A C     1 
ATOM   438  O  O     . ASP A 1 55  ? -3.589  15.749  -26.776 1.00 22.95 ? 65  ASP A O     1 
ATOM   439  C  CB    . ASP A 1 55  ? -2.274  16.321  -29.344 1.00 21.00 ? 65  ASP A CB    1 
ATOM   440  C  CG    . ASP A 1 55  ? -1.235  16.830  -30.333 1.00 25.01 ? 65  ASP A CG    1 
ATOM   441  O  OD1   . ASP A 1 55  ? -1.088  18.074  -30.521 1.00 23.84 ? 65  ASP A OD1   1 
ATOM   442  O  OD2   . ASP A 1 55  ? -0.576  15.984  -30.938 1.00 27.61 ? 65  ASP A OD2   1 
ATOM   443  N  N     . ILE A 1 56  ? -4.852  17.554  -27.226 1.00 18.62 ? 66  ILE A N     1 
ATOM   444  C  CA    A ILE A 1 56  ? -5.875  17.240  -26.241 0.59 20.65 ? 66  ILE A CA    1 
ATOM   445  C  CA    B ILE A 1 56  ? -5.889  17.272  -26.235 0.41 20.65 ? 66  ILE A CA    1 
ATOM   446  C  C     . ILE A 1 56  ? -7.091  16.641  -26.927 1.00 17.58 ? 66  ILE A C     1 
ATOM   447  O  O     . ILE A 1 56  ? -7.591  17.185  -27.925 1.00 21.00 ? 66  ILE A O     1 
ATOM   448  C  CB    A ILE A 1 56  ? -6.245  18.476  -25.418 0.59 19.46 ? 66  ILE A CB    1 
ATOM   449  C  CB    B ILE A 1 56  ? -6.314  18.558  -25.501 0.41 19.56 ? 66  ILE A CB    1 
ATOM   450  C  CG1   A ILE A 1 56  ? -5.039  18.918  -24.603 0.59 24.93 ? 66  ILE A CG1   1 
ATOM   451  C  CG1   B ILE A 1 56  ? -5.106  19.379  -25.036 0.41 26.09 ? 66  ILE A CG1   1 
ATOM   452  C  CG2   A ILE A 1 56  ? -7.449  18.160  -24.515 0.59 22.90 ? 66  ILE A CG2   1 
ATOM   453  C  CG2   B ILE A 1 56  ? -7.232  18.210  -24.318 0.41 22.98 ? 66  ILE A CG2   1 
ATOM   454  C  CD1   A ILE A 1 56  ? -5.220  20.254  -24.063 0.59 24.91 ? 66  ILE A CD1   1 
ATOM   455  C  CD1   B ILE A 1 56  ? -4.261  18.690  -24.018 0.41 17.59 ? 66  ILE A CD1   1 
ATOM   456  N  N     . LEU A 1 57  ? -7.538  15.491  -26.422 1.00 16.83 ? 67  LEU A N     1 
ATOM   457  C  CA    . LEU A 1 57  ? -8.807  14.891  -26.837 1.00 20.73 ? 67  LEU A CA    1 
ATOM   458  C  C     . LEU A 1 57  ? -9.855  15.101  -25.744 1.00 18.71 ? 67  LEU A C     1 
ATOM   459  O  O     . LEU A 1 57  ? -9.647  14.728  -24.575 1.00 17.86 ? 67  LEU A O     1 
ATOM   460  C  CB    . LEU A 1 57  ? -8.612  13.407  -27.128 1.00 19.25 ? 67  LEU A CB    1 
ATOM   461  C  CG    . LEU A 1 57  ? -9.786  12.875  -27.901 1.00 22.90 ? 67  LEU A CG    1 
ATOM   462  C  CD1   . LEU A 1 57  ? -9.696  13.338  -29.365 1.00 28.09 ? 67  LEU A CD1   1 
ATOM   463  C  CD2   . LEU A 1 57  ? -9.758  11.365  -27.793 1.00 27.22 ? 67  LEU A CD2   1 
ATOM   464  N  N     . ASP A 1 58  ? -10.951 15.797  -26.112 1.00 18.92 ? 68  ASP A N     1 
ATOM   465  C  CA    . ASP A 1 58  ? -12.092 16.081  -25.240 1.00 16.80 ? 68  ASP A CA    1 
ATOM   466  C  C     . ASP A 1 58  ? -13.184 15.066  -25.567 1.00 18.98 ? 68  ASP A C     1 
ATOM   467  O  O     . ASP A 1 58  ? -13.701 15.063  -26.686 1.00 22.22 ? 68  ASP A O     1 
ATOM   468  C  CB    . ASP A 1 58  ? -12.568 17.503  -25.528 1.00 18.59 ? 68  ASP A CB    1 
ATOM   469  C  CG    . ASP A 1 58  ? -13.725 17.918  -24.628 1.00 20.20 ? 68  ASP A CG    1 
ATOM   470  O  OD1   . ASP A 1 58  ? -13.874 17.304  -23.555 1.00 20.27 ? 68  ASP A OD1   1 
ATOM   471  O  OD2   . ASP A 1 58  ? -14.441 18.865  -25.037 1.00 21.89 ? 68  ASP A OD2   1 
ATOM   472  N  N     . THR A 1 59  ? -13.494 14.173  -24.611 1.00 18.53 ? 69  THR A N     1 
ATOM   473  C  CA    . THR A 1 59  ? -14.265 12.953  -24.878 1.00 16.56 ? 69  THR A CA    1 
ATOM   474  C  C     . THR A 1 59  ? -15.702 13.081  -24.353 1.00 20.18 ? 69  THR A C     1 
ATOM   475  O  O     . THR A 1 59  ? -16.044 14.043  -23.666 1.00 22.72 ? 69  THR A O     1 
ATOM   476  C  CB    . THR A 1 59  ? -13.620 11.705  -24.248 1.00 17.34 ? 69  THR A CB    1 
ATOM   477  O  OG1   . THR A 1 59  ? -13.613 11.800  -22.820 1.00 20.15 ? 69  THR A OG1   1 
ATOM   478  C  CG2   . THR A 1 59  ? -12.172 11.491  -24.775 1.00 18.92 ? 69  THR A CG2   1 
ATOM   479  N  N     . ALA A 1 60  ? -16.510 12.056  -24.615 1.00 19.17 ? 70  ALA A N     1 
ATOM   480  C  CA    . ALA A 1 60  ? -17.942 12.057  -24.302 1.00 19.44 ? 70  ALA A CA    1 
ATOM   481  C  C     . ALA A 1 60  ? -18.172 11.540  -22.888 1.00 27.10 ? 70  ALA A C     1 
ATOM   482  O  O     . ALA A 1 60  ? -17.655 10.477  -22.515 1.00 23.87 ? 70  ALA A O     1 
ATOM   483  C  CB    . ALA A 1 60  ? -18.653 11.169  -25.318 1.00 23.31 ? 70  ALA A CB    1 
ATOM   484  N  N     . GLY A 1 61  ? -18.956 12.274  -22.099 1.00 24.84 ? 71  GLY A N     1 
ATOM   485  C  CA    . GLY A 1 61  ? -19.354 11.737  -20.807 1.00 23.40 ? 71  GLY A CA    1 
ATOM   486  C  C     . GLY A 1 61  ? -20.648 10.962  -20.951 1.00 31.72 ? 71  GLY A C     1 
ATOM   487  O  O     . GLY A 1 61  ? -20.970 10.139  -20.092 1.00 32.15 ? 71  GLY A O     1 
ATOM   488  N  N     . GLN A 1 62  ? -21.346 11.162  -22.065 1.00 26.17 ? 72  GLN A N     1 
ATOM   489  C  CA    . GLN A 1 62  ? -22.605 10.459  -22.315 1.00 33.62 ? 72  GLN A CA    1 
ATOM   490  C  C     . GLN A 1 62  ? -22.352 8.998   -22.662 1.00 34.55 ? 72  GLN A C     1 
ATOM   491  O  O     . GLN A 1 62  ? -21.544 8.686   -23.545 1.00 31.99 ? 72  GLN A O     1 
ATOM   492  C  CB    . GLN A 1 62  ? -23.337 11.101  -23.485 1.00 36.15 ? 72  GLN A CB    1 
ATOM   493  C  CG    . GLN A 1 62  ? -24.146 12.327  -23.131 1.00 45.29 ? 72  GLN A CG    1 
ATOM   494  C  CD    . GLN A 1 62  ? -24.909 12.831  -24.335 1.00 58.83 ? 72  GLN A CD    1 
ATOM   495  O  OE1   . GLN A 1 62  ? -24.412 12.748  -25.465 1.00 63.50 ? 72  GLN A OE1   1 
ATOM   496  N  NE2   . GLN A 1 62  ? -26.135 13.322  -24.116 1.00 54.35 ? 72  GLN A NE2   1 
ATOM   497  N  N     . GLU A 1 63  ? -23.110 8.107   -22.007 1.00 39.12 ? 73  GLU A N     1 
ATOM   498  C  CA    . GLU A 1 63  ? -22.892 6.672   -22.187 1.00 44.68 ? 73  GLU A CA    1 
ATOM   499  C  C     . GLU A 1 63  ? -23.157 6.226   -23.621 1.00 44.22 ? 73  GLU A C     1 
ATOM   500  O  O     . GLU A 1 63  ? -22.579 5.228   -24.060 1.00 44.79 ? 73  GLU A O     1 
ATOM   501  C  CB    . GLU A 1 63  ? -23.742 5.861   -21.189 1.00 48.65 ? 73  GLU A CB    1 
ATOM   502  C  CG    . GLU A 1 63  ? -23.268 5.937   -19.721 1.00 57.03 ? 73  GLU A CG    1 
ATOM   503  C  CD    . GLU A 1 63  ? -21.856 5.371   -19.482 1.00 61.23 ? 73  GLU A CD    1 
ATOM   504  O  OE1   . GLU A 1 63  ? -21.467 4.372   -20.138 1.00 64.71 ? 73  GLU A OE1   1 
ATOM   505  O  OE2   . GLU A 1 63  ? -21.132 5.930   -18.621 1.00 61.24 ? 73  GLU A OE2   1 
ATOM   506  N  N     . GLU A 1 64  ? -24.009 6.951   -24.361 1.00 40.26 ? 74  GLU A N     1 
ATOM   507  C  CA    . GLU A 1 64  ? -24.269 6.619   -25.764 1.00 43.21 ? 74  GLU A CA    1 
ATOM   508  C  C     . GLU A 1 64  ? -22.979 6.393   -26.560 1.00 42.24 ? 74  GLU A C     1 
ATOM   509  O  O     . GLU A 1 64  ? -22.932 5.549   -27.463 1.00 39.45 ? 74  GLU A O     1 
ATOM   510  C  CB    . GLU A 1 64  ? -25.080 7.752   -26.398 1.00 45.73 ? 74  GLU A CB    1 
ATOM   511  C  CG    . GLU A 1 64  ? -25.377 7.560   -27.856 1.00 56.28 ? 74  GLU A CG    1 
ATOM   512  C  CD    . GLU A 1 64  ? -26.267 8.661   -28.401 1.00 66.29 ? 74  GLU A CD    1 
ATOM   513  O  OE1   . GLU A 1 64  ? -26.691 9.542   -27.613 1.00 60.72 ? 74  GLU A OE1   1 
ATOM   514  O  OE2   . GLU A 1 64  ? -26.536 8.641   -29.620 1.00 58.60 ? 74  GLU A OE2   1 
ATOM   515  N  N     . PHE A 1 65  ? -21.919 7.128   -26.238 1.00 37.35 ? 75  PHE A N     1 
ATOM   516  C  CA    . PHE A 1 65  ? -20.680 7.053   -26.995 1.00 39.33 ? 75  PHE A CA    1 
ATOM   517  C  C     . PHE A 1 65  ? -19.603 6.279   -26.249 1.00 41.41 ? 75  PHE A C     1 
ATOM   518  O  O     . PHE A 1 65  ? -18.415 6.425   -26.537 1.00 36.70 ? 75  PHE A O     1 
ATOM   519  C  CB    . PHE A 1 65  ? -20.226 8.450   -27.431 1.00 36.74 ? 75  PHE A CB    1 
ATOM   520  C  CG    . PHE A 1 65  ? -21.314 9.201   -28.173 1.00 35.78 ? 75  PHE A CG    1 
ATOM   521  C  CD1   . PHE A 1 65  ? -21.610 8.892   -29.500 1.00 40.28 ? 75  PHE A CD1   1 
ATOM   522  C  CD2   . PHE A 1 65  ? -22.074 10.168  -27.523 1.00 40.35 ? 75  PHE A CD2   1 
ATOM   523  C  CE1   . PHE A 1 65  ? -22.635 9.570   -30.180 1.00 42.98 ? 75  PHE A CE1   1 
ATOM   524  C  CE2   . PHE A 1 65  ? -23.104 10.844  -28.188 1.00 48.88 ? 75  PHE A CE2   1 
ATOM   525  C  CZ    . PHE A 1 65  ? -23.380 10.549  -29.520 1.00 48.87 ? 75  PHE A CZ    1 
ATOM   526  N  N     . GLY A 1 66  ? -20.030 5.424   -25.313 1.00 44.36 ? 76  GLY A N     1 
ATOM   527  C  CA    . GLY A 1 66  ? -19.104 4.609   -24.545 1.00 35.24 ? 76  GLY A CA    1 
ATOM   528  C  C     . GLY A 1 66  ? -18.207 3.717   -25.386 1.00 37.33 ? 76  GLY A C     1 
ATOM   529  O  O     . GLY A 1 66  ? -17.058 3.452   -25.002 1.00 39.19 ? 76  GLY A O     1 
ATOM   530  N  N     . ALA A 1 67  ? -18.673 3.300   -26.570 1.00 38.02 ? 77  ALA A N     1 
ATOM   531  C  CA    . ALA A 1 67  ? -17.879 2.363   -27.367 1.00 42.69 ? 77  ALA A CA    1 
ATOM   532  C  C     . ALA A 1 67  ? -16.622 3.010   -27.952 1.00 40.49 ? 77  ALA A C     1 
ATOM   533  O  O     . ALA A 1 67  ? -15.683 2.294   -28.319 1.00 42.12 ? 77  ALA A O     1 
ATOM   534  C  CB    . ALA A 1 67  ? -18.733 1.687   -28.442 1.00 41.87 ? 77  ALA A CB    1 
ATOM   535  N  N     . MET A 1 68  ? -16.565 4.342   -28.018 1.00 37.40 ? 78  MET A N     1 
ATOM   536  C  CA    . MET A 1 68  ? -15.368 4.997   -28.526 1.00 35.27 ? 78  MET A CA    1 
ATOM   537  C  C     . MET A 1 68  ? -14.219 5.027   -27.525 1.00 32.58 ? 78  MET A C     1 
ATOM   538  O  O     . MET A 1 68  ? -13.113 5.419   -27.904 1.00 32.36 ? 78  MET A O     1 
ATOM   539  C  CB    . MET A 1 68  ? -15.693 6.435   -28.946 1.00 32.72 ? 78  MET A CB    1 
ATOM   540  C  CG    . MET A 1 68  ? -16.883 6.518   -29.900 1.00 37.38 ? 78  MET A CG    1 
ATOM   541  S  SD    . MET A 1 68  ? -17.384 8.227   -30.189 1.00 41.81 ? 78  MET A SD    1 
ATOM   542  C  CE    . MET A 1 68  ? -15.924 8.871   -30.993 1.00 37.56 ? 78  MET A CE    1 
ATOM   543  N  N     . ARG A 1 69  ? -14.441 4.648   -26.261 1.00 33.07 ? 79  ARG A N     1 
ATOM   544  C  CA    . ARG A 1 69  ? -13.366 4.767   -25.276 1.00 29.82 ? 79  ARG A CA    1 
ATOM   545  C  C     . ARG A 1 69  ? -12.178 3.877   -25.620 1.00 30.86 ? 79  ARG A C     1 
ATOM   546  O  O     . ARG A 1 69  ? -11.027 4.307   -25.464 1.00 28.70 ? 79  ARG A O     1 
ATOM   547  C  CB    . ARG A 1 69  ? -13.857 4.507   -23.852 1.00 29.46 ? 79  ARG A CB    1 
ATOM   548  C  CG    . ARG A 1 69  ? -15.033 5.387   -23.463 1.00 30.44 ? 79  ARG A CG    1 
ATOM   549  C  CD    . ARG A 1 69  ? -15.372 5.358   -21.972 1.00 33.51 ? 79  ARG A CD    1 
ATOM   550  N  NE    . ARG A 1 69  ? -16.535 6.211   -21.755 1.00 34.95 ? 79  ARG A NE    1 
ATOM   551  C  CZ    . ARG A 1 69  ? -17.366 6.153   -20.721 1.00 43.80 ? 79  ARG A CZ    1 
ATOM   552  N  NH1   . ARG A 1 69  ? -17.188 5.296   -19.730 1.00 37.37 ? 79  ARG A NH1   1 
ATOM   553  N  NH2   . ARG A 1 69  ? -18.382 7.012   -20.660 1.00 37.94 ? 79  ARG A NH2   1 
ATOM   554  N  N     . GLU A 1 70  ? -12.412 2.645   -26.084 1.00 30.07 ? 80  GLU A N     1 
ATOM   555  C  CA    . GLU A 1 70  ? -11.276 1.741   -26.287 1.00 32.82 ? 80  GLU A CA    1 
ATOM   556  C  C     . GLU A 1 70  ? -10.239 2.373   -27.207 1.00 39.55 ? 80  GLU A C     1 
ATOM   557  O  O     . GLU A 1 70  ? -9.033  2.324   -26.929 1.00 31.55 ? 80  GLU A O     1 
ATOM   558  C  CB    . GLU A 1 70  ? -11.734 0.392   -26.850 1.00 37.28 ? 80  GLU A CB    1 
ATOM   559  C  CG    . GLU A 1 70  ? -10.546 -0.562  -27.091 1.00 45.19 ? 80  GLU A CG    1 
ATOM   560  C  CD    . GLU A 1 70  ? -10.674 -1.890  -26.355 1.00 61.36 ? 80  GLU A CD    1 
ATOM   561  O  OE1   . GLU A 1 70  ? -11.771 -2.168  -25.819 1.00 66.41 ? 80  GLU A OE1   1 
ATOM   562  O  OE2   . GLU A 1 70  ? -9.674  -2.651  -26.315 1.00 64.03 ? 80  GLU A OE2   1 
ATOM   563  N  N     . GLN A 1 71  ? -10.706 3.006   -28.284 1.00 34.87 ? 81  GLN A N     1 
ATOM   564  C  CA    . GLN A 1 71  ? -9.821  3.649   -29.246 1.00 35.04 ? 81  GLN A CA    1 
ATOM   565  C  C     . GLN A 1 71  ? -8.991  4.759   -28.601 1.00 32.14 ? 81  GLN A C     1 
ATOM   566  O  O     . GLN A 1 71  ? -7.758  4.783   -28.717 1.00 28.67 ? 81  GLN A O     1 
ATOM   567  C  CB    . GLN A 1 71  ? -10.658 4.205   -30.397 1.00 41.20 ? 81  GLN A CB    1 
ATOM   568  C  CG    . GLN A 1 71  ? -9.818  4.770   -31.527 1.00 48.50 ? 81  GLN A CG    1 
ATOM   569  C  CD    . GLN A 1 71  ? -8.854  3.734   -32.068 1.00 48.83 ? 81  GLN A CD    1 
ATOM   570  O  OE1   . GLN A 1 71  ? -9.272  2.657   -32.514 1.00 65.75 ? 81  GLN A OE1   1 
ATOM   571  N  NE2   . GLN A 1 71  ? -7.557  4.028   -31.999 1.00 53.29 ? 81  GLN A NE2   1 
ATOM   572  N  N     . TYR A 1 72  ? -9.639  5.706   -27.922 1.00 29.94 ? 82  TYR A N     1 
ATOM   573  C  CA    . TYR A 1 72  ? -8.851  6.819   -27.396 1.00 26.69 ? 82  TYR A CA    1 
ATOM   574  C  C     . TYR A 1 72  ? -8.024  6.396   -26.200 1.00 26.62 ? 82  TYR A C     1 
ATOM   575  O  O     . TYR A 1 72  ? -6.957  6.961   -25.939 1.00 22.63 ? 82  TYR A O     1 
ATOM   576  C  CB    . TYR A 1 72  ? -9.738  8.045   -27.125 1.00 24.07 ? 82  TYR A CB    1 
ATOM   577  C  CG    . TYR A 1 72  ? -10.685 8.035   -25.942 1.00 23.30 ? 82  TYR A CG    1 
ATOM   578  C  CD1   . TYR A 1 72  ? -10.199 7.939   -24.644 1.00 24.29 ? 82  TYR A CD1   1 
ATOM   579  C  CD2   . TYR A 1 72  ? -12.074 8.214   -26.122 1.00 23.77 ? 82  TYR A CD2   1 
ATOM   580  C  CE1   . TYR A 1 72  ? -11.065 7.991   -23.549 1.00 26.44 ? 82  TYR A CE1   1 
ATOM   581  C  CE2   . TYR A 1 72  ? -12.933 8.242   -25.041 1.00 21.34 ? 82  TYR A CE2   1 
ATOM   582  C  CZ    . TYR A 1 72  ? -12.436 8.170   -23.755 1.00 19.70 ? 82  TYR A CZ    1 
ATOM   583  O  OH    . TYR A 1 72  ? -13.295 8.208   -22.652 1.00 26.82 ? 82  TYR A OH    1 
ATOM   584  N  N     . MET A 1 73  ? -8.444  5.344   -25.506 1.00 24.36 ? 83  MET A N     1 
ATOM   585  C  CA    . MET A 1 73  ? -7.654  4.905   -24.367 1.00 23.70 ? 83  MET A CA    1 
ATOM   586  C  C     . MET A 1 73  ? -6.406  4.189   -24.837 1.00 29.92 ? 83  MET A C     1 
ATOM   587  O  O     . MET A 1 73  ? -5.365  4.286   -24.180 1.00 27.68 ? 83  MET A O     1 
ATOM   588  C  CB    . MET A 1 73  ? -8.507  4.012   -23.460 1.00 25.30 ? 83  MET A CB    1 
ATOM   589  C  CG    . MET A 1 73  ? -9.511  4.872   -22.661 1.00 21.96 ? 83  MET A CG    1 
ATOM   590  S  SD    . MET A 1 73  ? -10.534 3.864   -21.568 1.00 24.31 ? 83  MET A SD    1 
ATOM   591  C  CE    . MET A 1 73  ? -11.531 5.201   -20.881 1.00 23.14 ? 83  MET A CE    1 
ATOM   592  N  N     . ARG A 1 74  ? -6.480  3.513   -25.983 1.00 25.67 ? 84  ARG A N     1 
ATOM   593  C  CA    . ARG A 1 74  ? -5.296  2.843   -26.521 1.00 28.10 ? 84  ARG A CA    1 
ATOM   594  C  C     . ARG A 1 74  ? -4.188  3.847   -26.821 1.00 28.00 ? 84  ARG A C     1 
ATOM   595  O  O     . ARG A 1 74  ? -3.020  3.620   -26.467 1.00 32.17 ? 84  ARG A O     1 
ATOM   596  C  CB    . ARG A 1 74  ? -5.644  2.033   -27.764 1.00 29.36 ? 84  ARG A CB    1 
ATOM   597  C  CG    . ARG A 1 74  ? -6.225  0.680   -27.455 1.00 44.72 ? 84  ARG A CG    1 
ATOM   598  C  CD    . ARG A 1 74  ? -6.107  -0.237  -28.667 1.00 50.09 ? 84  ARG A CD    1 
ATOM   599  N  NE    . ARG A 1 74  ? -6.636  0.417   -29.858 1.00 51.50 ? 84  ARG A NE    1 
ATOM   600  C  CZ    . ARG A 1 74  ? -7.892  0.310   -30.271 1.00 58.44 ? 84  ARG A CZ    1 
ATOM   601  N  NH1   . ARG A 1 74  ? -8.771  -0.434  -29.620 1.00 63.49 ? 84  ARG A NH1   1 
ATOM   602  N  NH2   . ARG A 1 74  ? -8.272  0.956   -31.370 1.00 54.66 ? 84  ARG A NH2   1 
ATOM   603  N  N     . THR A 1 75  ? -4.531  4.988   -27.409 1.00 26.80 ? 85  THR A N     1 
ATOM   604  C  CA    . THR A 1 75  ? -3.513  5.929   -27.873 1.00 33.53 ? 85  THR A CA    1 
ATOM   605  C  C     . THR A 1 75  ? -3.186  7.050   -26.887 1.00 26.19 ? 85  THR A C     1 
ATOM   606  O  O     . THR A 1 75  ? -2.187  7.750   -27.096 1.00 26.49 ? 85  THR A O     1 
ATOM   607  C  CB    . THR A 1 75  ? -3.943  6.558   -29.202 1.00 34.41 ? 85  THR A CB    1 
ATOM   608  O  OG1   . THR A 1 75  ? -5.203  7.196   -29.019 1.00 36.64 ? 85  THR A OG1   1 
ATOM   609  C  CG2   . THR A 1 75  ? -4.080  5.477   -30.289 1.00 38.09 ? 85  THR A CG2   1 
ATOM   610  N  N     . GLY A 1 76  ? -3.984  7.273   -25.846 1.00 20.12 ? 86  GLY A N     1 
ATOM   611  C  CA    . GLY A 1 76  ? -3.693  8.372   -24.921 1.00 20.08 ? 86  GLY A CA    1 
ATOM   612  C  C     . GLY A 1 76  ? -2.422  8.138   -24.117 1.00 19.64 ? 86  GLY A C     1 
ATOM   613  O  O     . GLY A 1 76  ? -2.133  7.016   -23.685 1.00 19.76 ? 86  GLY A O     1 
ATOM   614  N  N     . GLU A 1 77  ? -1.641  9.187   -23.952 1.00 19.40 ? 87  GLU A N     1 
ATOM   615  C  CA    . GLU A 1 77  ? -0.396  9.121   -23.184 1.00 17.94 ? 87  GLU A CA    1 
ATOM   616  C  C     . GLU A 1 77  ? -0.591  9.574   -21.750 1.00 22.22 ? 87  GLU A C     1 
ATOM   617  O  O     . GLU A 1 77  ? 0.277   9.336   -20.914 1.00 19.05 ? 87  GLU A O     1 
ATOM   618  C  CB    . GLU A 1 77  ? 0.641   10.007  -23.876 1.00 19.17 ? 87  GLU A CB    1 
ATOM   619  C  CG    . GLU A 1 77  ? 1.120   9.334   -25.178 1.00 24.91 ? 87  GLU A CG    1 
ATOM   620  C  CD    . GLU A 1 77  ? 2.210   10.114  -25.885 1.00 38.45 ? 87  GLU A CD    1 
ATOM   621  O  OE1   . GLU A 1 77  ? 1.966   11.254  -26.286 1.00 23.58 ? 87  GLU A OE1   1 
ATOM   622  O  OE2   . GLU A 1 77  ? 3.336   9.603   -26.025 1.00 35.04 ? 87  GLU A OE2   1 
ATOM   623  N  N     . GLY A 1 78  ? -1.701  10.266  -21.448 1.00 18.66 ? 88  GLY A N     1 
ATOM   624  C  CA    . GLY A 1 78  ? -1.996  10.638  -20.079 1.00 17.53 ? 88  GLY A CA    1 
ATOM   625  C  C     . GLY A 1 78  ? -3.463  11.027  -20.022 1.00 15.38 ? 88  GLY A C     1 
ATOM   626  O  O     . GLY A 1 78  ? -3.998  11.455  -21.047 1.00 17.19 ? 88  GLY A O     1 
ATOM   627  N  N     . PHE A 1 79  ? -4.070  10.931  -18.852 1.00 14.99 ? 89  PHE A N     1 
ATOM   628  C  CA    . PHE A 1 79  ? -5.529  11.164  -18.716 1.00 12.61 ? 89  PHE A CA    1 
ATOM   629  C  C     . PHE A 1 79  ? -5.825  12.099  -17.553 1.00 16.22 ? 89  PHE A C     1 
ATOM   630  O  O     . PHE A 1 79  ? -5.294  11.918  -16.450 1.00 16.50 ? 89  PHE A O     1 
ATOM   631  C  CB    . PHE A 1 79  ? -6.283  9.848   -18.541 1.00 16.47 ? 89  PHE A CB    1 
ATOM   632  C  CG    . PHE A 1 79  ? -6.099  8.903   -19.689 1.00 16.70 ? 89  PHE A CG    1 
ATOM   633  C  CD1   . PHE A 1 79  ? -4.969  8.079   -19.778 1.00 19.02 ? 89  PHE A CD1   1 
ATOM   634  C  CD2   . PHE A 1 79  ? -7.042  8.829   -20.698 1.00 18.81 ? 89  PHE A CD2   1 
ATOM   635  C  CE1   . PHE A 1 79  ? -4.807  7.212   -20.860 1.00 17.72 ? 89  PHE A CE1   1 
ATOM   636  C  CE2   . PHE A 1 79  ? -6.886  7.978   -21.798 1.00 16.98 ? 89  PHE A CE2   1 
ATOM   637  C  CZ    . PHE A 1 79  ? -5.770  7.140   -21.879 1.00 18.85 ? 89  PHE A CZ    1 
ATOM   638  N  N     . LEU A 1 80  ? -6.667  13.115  -17.794 1.00 18.44 ? 90  LEU A N     1 
ATOM   639  C  CA    . LEU A 1 80  ? -7.250  13.904  -16.717 1.00 17.98 ? 90  LEU A CA    1 
ATOM   640  C  C     . LEU A 1 80  ? -8.545  13.229  -16.380 1.00 15.15 ? 90  LEU A C     1 
ATOM   641  O  O     . LEU A 1 80  ? -9.430  13.172  -17.245 1.00 20.55 ? 90  LEU A O     1 
ATOM   642  C  CB    . LEU A 1 80  ? -7.580  15.335  -17.170 1.00 19.86 ? 90  LEU A CB    1 
ATOM   643  C  CG    . LEU A 1 80  ? -6.410  16.250  -17.483 1.00 24.53 ? 90  LEU A CG    1 
ATOM   644  C  CD1   . LEU A 1 80  ? -6.943  17.644  -17.727 1.00 26.10 ? 90  LEU A CD1   1 
ATOM   645  C  CD2   . LEU A 1 80  ? -5.524  16.368  -16.323 1.00 28.10 ? 90  LEU A CD2   1 
ATOM   646  N  N     . LEU A 1 81  ? -8.655  12.690  -15.163 1.00 17.83 ? 91  LEU A N     1 
ATOM   647  C  CA    . LEU A 1 81  ? -9.901  12.066  -14.677 1.00 19.16 ? 91  LEU A CA    1 
ATOM   648  C  C     . LEU A 1 81  ? -10.700 13.162  -13.974 1.00 18.64 ? 91  LEU A C     1 
ATOM   649  O  O     . LEU A 1 81  ? -10.358 13.551  -12.849 1.00 20.50 ? 91  LEU A O     1 
ATOM   650  C  CB    . LEU A 1 81  ? -9.522  10.973  -13.690 1.00 19.18 ? 91  LEU A CB    1 
ATOM   651  C  CG    . LEU A 1 81  ? -8.607  9.808   -14.125 1.00 20.61 ? 91  LEU A CG    1 
ATOM   652  C  CD1   . LEU A 1 81  ? -8.143  9.025   -12.926 1.00 23.54 ? 91  LEU A CD1   1 
ATOM   653  C  CD2   . LEU A 1 81  ? -9.325  8.948   -15.137 1.00 29.48 ? 91  LEU A CD2   1 
ATOM   654  N  N     . VAL A 1 82  ? -11.792 13.620  -14.607 1.00 18.94 ? 92  VAL A N     1 
ATOM   655  C  CA    . VAL A 1 82  ? -12.532 14.792  -14.130 1.00 17.78 ? 92  VAL A CA    1 
ATOM   656  C  C     . VAL A 1 82  ? -13.845 14.344  -13.516 1.00 19.44 ? 92  VAL A C     1 
ATOM   657  O  O     . VAL A 1 82  ? -14.572 13.543  -14.117 1.00 21.51 ? 92  VAL A O     1 
ATOM   658  C  CB    . VAL A 1 82  ? -12.788 15.815  -15.255 1.00 19.54 ? 92  VAL A CB    1 
ATOM   659  C  CG1   . VAL A 1 82  ? -13.415 17.061  -14.647 1.00 20.70 ? 92  VAL A CG1   1 
ATOM   660  C  CG2   . VAL A 1 82  ? -11.490 16.130  -16.011 1.00 17.65 ? 92  VAL A CG2   1 
ATOM   661  N  N     . PHE A 1 83  ? -14.139 14.839  -12.318 1.00 19.65 ? 93  PHE A N     1 
ATOM   662  C  CA    . PHE A 1 83  ? -15.495 14.771  -11.780 1.00 19.37 ? 93  PHE A CA    1 
ATOM   663  C  C     . PHE A 1 83  ? -15.869 16.173  -11.336 1.00 24.26 ? 93  PHE A C     1 
ATOM   664  O  O     . PHE A 1 83  ? -15.034 17.088  -11.275 1.00 24.69 ? 93  PHE A O     1 
ATOM   665  C  CB    . PHE A 1 83  ? -15.628 13.776  -10.612 1.00 24.46 ? 93  PHE A CB    1 
ATOM   666  C  CG    . PHE A 1 83  ? -14.922 14.197  -9.358  1.00 22.33 ? 93  PHE A CG    1 
ATOM   667  C  CD1   . PHE A 1 83  ? -13.545 13.987  -9.211  1.00 22.61 ? 93  PHE A CD1   1 
ATOM   668  C  CD2   . PHE A 1 83  ? -15.629 14.817  -8.325  1.00 24.02 ? 93  PHE A CD2   1 
ATOM   669  C  CE1   . PHE A 1 83  ? -12.892 14.356  -8.061  1.00 23.35 ? 93  PHE A CE1   1 
ATOM   670  C  CE2   . PHE A 1 83  ? -14.968 15.226  -7.146  1.00 27.19 ? 93  PHE A CE2   1 
ATOM   671  C  CZ    . PHE A 1 83  ? -13.599 15.005  -7.016  1.00 24.64 ? 93  PHE A CZ    1 
ATOM   672  N  N     . SER A 1 84  ? -17.143 16.348  -11.059 1.00 24.07 ? 94  SER A N     1 
ATOM   673  C  CA    . SER A 1 84  ? -17.631 17.623  -10.548 1.00 25.70 ? 94  SER A CA    1 
ATOM   674  C  C     . SER A 1 84  ? -17.880 17.507  -9.057  1.00 25.75 ? 94  SER A C     1 
ATOM   675  O  O     . SER A 1 84  ? -18.578 16.596  -8.604  1.00 28.73 ? 94  SER A O     1 
ATOM   676  C  CB    . SER A 1 84  ? -18.910 18.081  -11.249 1.00 26.89 ? 94  SER A CB    1 
ATOM   677  O  OG    . SER A 1 84  ? -19.584 19.074  -10.457 1.00 30.15 ? 94  SER A OG    1 
ATOM   678  N  N     . VAL A 1 85  ? -17.361 18.484  -8.305  1.00 27.91 ? 95  VAL A N     1 
ATOM   679  C  CA    . VAL A 1 85  ? -17.559 18.501  -6.865  1.00 30.22 ? 95  VAL A CA    1 
ATOM   680  C  C     . VAL A 1 85  ? -19.024 18.705  -6.506  1.00 30.30 ? 95  VAL A C     1 
ATOM   681  O  O     . VAL A 1 85  ? -19.414 18.440  -5.371  1.00 34.85 ? 95  VAL A O     1 
ATOM   682  C  CB    . VAL A 1 85  ? -16.632 19.513  -6.147  1.00 27.87 ? 95  VAL A CB    1 
ATOM   683  C  CG1   . VAL A 1 85  ? -15.158 19.184  -6.431  1.00 30.93 ? 95  VAL A CG1   1 
ATOM   684  C  CG2   . VAL A 1 85  ? -16.969 20.933  -6.559  1.00 33.48 ? 95  VAL A CG2   1 
ATOM   685  N  N     . THR A 1 86  ? -19.853 19.128  -7.455  1.00 33.85 ? 96  THR A N     1 
ATOM   686  C  CA    . THR A 1 86  ? -21.278 19.296  -7.199  1.00 36.17 ? 96  THR A CA    1 
ATOM   687  C  C     . THR A 1 86  ? -22.109 18.098  -7.643  1.00 38.35 ? 96  THR A C     1 
ATOM   688  O  O     . THR A 1 86  ? -23.345 18.171  -7.628  1.00 35.83 ? 96  THR A O     1 
ATOM   689  C  CB    . THR A 1 86  ? -21.796 20.549  -7.888  1.00 31.13 ? 96  THR A CB    1 
ATOM   690  O  OG1   . THR A 1 86  ? -21.697 20.384  -9.316  1.00 32.15 ? 96  THR A OG1   1 
ATOM   691  C  CG2   . THR A 1 86  ? -20.989 21.793  -7.446  1.00 33.62 ? 96  THR A CG2   1 
ATOM   692  N  N     . ASP A 1 87  ? -21.467 16.996  -8.047  1.00 35.17 ? 97  ASP A N     1 
ATOM   693  C  CA    . ASP A 1 87  ? -22.171 15.826  -8.591  1.00 31.16 ? 97  ASP A CA    1 
ATOM   694  C  C     . ASP A 1 87  ? -21.537 14.571  -7.986  1.00 33.27 ? 97  ASP A C     1 
ATOM   695  O  O     . ASP A 1 87  ? -20.557 14.039  -8.513  1.00 31.50 ? 97  ASP A O     1 
ATOM   696  C  CB    . ASP A 1 87  ? -22.098 15.840  -10.117 1.00 30.01 ? 97  ASP A CB    1 
ATOM   697  C  CG    . ASP A 1 87  ? -22.771 14.618  -10.777 1.00 37.37 ? 97  ASP A CG    1 
ATOM   698  O  OD1   . ASP A 1 87  ? -23.164 13.617  -10.108 1.00 37.50 ? 97  ASP A OD1   1 
ATOM   699  O  OD2   . ASP A 1 87  ? -22.918 14.675  -12.012 1.00 35.14 ? 97  ASP A OD2   1 
ATOM   700  N  N     . ARG A 1 88  ? -22.114 14.088  -6.888  1.00 37.98 ? 98  ARG A N     1 
ATOM   701  C  CA    . ARG A 1 88  ? -21.524 12.921  -6.238  1.00 34.31 ? 98  ARG A CA    1 
ATOM   702  C  C     . ARG A 1 88  ? -21.545 11.706  -7.153  1.00 34.78 ? 98  ARG A C     1 
ATOM   703  O  O     . ARG A 1 88  ? -20.624 10.877  -7.108  1.00 33.38 ? 98  ARG A O     1 
ATOM   704  C  CB    . ARG A 1 88  ? -22.212 12.659  -4.895  1.00 40.77 ? 98  ARG A CB    1 
ATOM   705  C  CG    . ARG A 1 88  ? -21.476 11.664  -4.038  1.00 43.75 ? 98  ARG A CG    1 
ATOM   706  C  CD    . ARG A 1 88  ? -21.835 11.769  -2.579  1.00 52.33 ? 98  ARG A CD    1 
ATOM   707  N  NE    . ARG A 1 88  ? -20.817 11.066  -1.813  1.00 61.47 ? 98  ARG A NE    1 
ATOM   708  C  CZ    . ARG A 1 88  ? -19.764 11.652  -1.263  1.00 53.32 ? 98  ARG A CZ    1 
ATOM   709  N  NH1   . ARG A 1 88  ? -19.630 12.962  -1.262  1.00 52.75 ? 98  ARG A NH1   1 
ATOM   710  N  NH2   . ARG A 1 88  ? -18.822 10.901  -0.701  1.00 59.10 ? 98  ARG A NH2   1 
ATOM   711  N  N     . GLY A 1 89  ? -22.577 11.576  -7.994  1.00 36.33 ? 99  GLY A N     1 
ATOM   712  C  CA    . GLY A 1 89  ? -22.596 10.482  -8.958  1.00 29.08 ? 99  GLY A CA    1 
ATOM   713  C  C     . GLY A 1 89  ? -21.365 10.469  -9.854  1.00 32.94 ? 99  GLY A C     1 
ATOM   714  O  O     . GLY A 1 89  ? -20.826 9.405   -10.174 1.00 34.14 ? 99  GLY A O     1 
ATOM   715  N  N     . SER A 1 90  ? -20.917 11.645  -10.285 1.00 31.86 ? 100 SER A N     1 
ATOM   716  C  CA    . SER A 1 90  ? -19.737 11.689  -11.136 1.00 30.64 ? 100 SER A CA    1 
ATOM   717  C  C     . SER A 1 90  ? -18.496 11.305  -10.348 1.00 30.64 ? 100 SER A C     1 
ATOM   718  O  O     . SER A 1 90  ? -17.553 10.717  -10.902 1.00 27.80 ? 100 SER A O     1 
ATOM   719  C  CB    . SER A 1 90  ? -19.585 13.085  -11.743 1.00 29.35 ? 100 SER A CB    1 
ATOM   720  O  OG    . SER A 1 90  ? -19.015 14.011  -10.828 1.00 27.21 ? 100 SER A OG    1 
ATOM   721  N  N     . PHE A 1 91  ? -18.484 11.647  -9.062  1.00 30.64 ? 101 PHE A N     1 
ATOM   722  C  CA    . PHE A 1 91  ? -17.386 11.293  -8.182  1.00 27.57 ? 101 PHE A CA    1 
ATOM   723  C  C     . PHE A 1 91  ? -17.340 9.792   -7.961  1.00 37.07 ? 101 PHE A C     1 
ATOM   724  O  O     . PHE A 1 91  ? -16.270 9.185   -7.988  1.00 36.56 ? 101 PHE A O     1 
ATOM   725  C  CB    . PHE A 1 91  ? -17.584 12.001  -6.854  1.00 34.02 ? 101 PHE A CB    1 
ATOM   726  C  CG    . PHE A 1 91  ? -16.607 11.614  -5.796  1.00 30.49 ? 101 PHE A CG    1 
ATOM   727  C  CD1   . PHE A 1 91  ? -15.278 11.999  -5.894  1.00 36.19 ? 101 PHE A CD1   1 
ATOM   728  C  CD2   . PHE A 1 91  ? -17.020 10.919  -4.675  1.00 42.83 ? 101 PHE A CD2   1 
ATOM   729  C  CE1   . PHE A 1 91  ? -14.385 11.677  -4.902  1.00 36.66 ? 101 PHE A CE1   1 
ATOM   730  C  CE2   . PHE A 1 91  ? -16.125 10.592  -3.680  1.00 45.53 ? 101 PHE A CE2   1 
ATOM   731  C  CZ    . PHE A 1 91  ? -14.803 10.968  -3.797  1.00 42.71 ? 101 PHE A CZ    1 
ATOM   732  N  N     . GLU A 1 92  ? -18.495 9.177   -7.755  1.00 33.25 ? 102 GLU A N     1 
ATOM   733  C  CA    . GLU A 1 92  ? -18.511 7.738   -7.540  1.00 35.97 ? 102 GLU A CA    1 
ATOM   734  C  C     . GLU A 1 92  ? -18.194 6.970   -8.807  1.00 32.79 ? 102 GLU A C     1 
ATOM   735  O  O     . GLU A 1 92  ? -17.797 5.798   -8.721  1.00 42.17 ? 102 GLU A O     1 
ATOM   736  C  CB    . GLU A 1 92  ? -19.870 7.330   -6.965  1.00 32.74 ? 102 GLU A CB    1 
ATOM   737  C  CG    . GLU A 1 92  ? -19.978 7.667   -5.475  1.00 44.76 ? 102 GLU A CG    1 
ATOM   738  C  CD    . GLU A 1 92  ? -21.404 7.744   -4.973  1.00 53.49 ? 102 GLU A CD    1 
ATOM   739  O  OE1   . GLU A 1 92  ? -22.335 7.552   -5.785  1.00 56.57 ? 102 GLU A OE1   1 
ATOM   740  O  OE2   . GLU A 1 92  ? -21.591 8.015   -3.764  1.00 51.42 ? 102 GLU A OE2   1 
ATOM   741  N  N     . GLU A 1 93  ? -18.377 7.578   -9.970  1.00 31.58 ? 103 GLU A N     1 
ATOM   742  C  CA    . GLU A 1 93  ? -18.205 6.895   -11.236 1.00 32.39 ? 103 GLU A CA    1 
ATOM   743  C  C     . GLU A 1 93  ? -16.839 7.095   -11.876 1.00 37.31 ? 103 GLU A C     1 
ATOM   744  O  O     . GLU A 1 93  ? -16.502 6.370   -12.818 1.00 31.06 ? 103 GLU A O     1 
ATOM   745  C  CB    . GLU A 1 93  ? -19.322 7.267   -12.213 1.00 49.25 ? 103 GLU A CB    1 
ATOM   746  C  CG    . GLU A 1 93  ? -20.726 6.847   -11.708 1.00 42.34 ? 103 GLU A CG    1 
ATOM   747  C  CD    . GLU A 1 93  ? -20.840 5.361   -11.344 1.00 48.56 ? 103 GLU A CD    1 
ATOM   748  O  OE1   . GLU A 1 93  ? -21.056 4.539   -12.263 1.00 60.73 ? 103 GLU A OE1   1 
ATOM   749  O  OE2   . GLU A 1 93  ? -20.725 5.016   -10.139 1.00 44.18 ? 103 GLU A OE2   1 
ATOM   750  N  N     . ILE A 1 94  ? -16.033 8.041   -11.401 1.00 28.93 ? 104 ILE A N     1 
ATOM   751  C  CA    . ILE A 1 94  ? -14.775 8.271   -12.099 1.00 23.66 ? 104 ILE A CA    1 
ATOM   752  C  C     . ILE A 1 94  ? -13.854 7.053   -12.020 1.00 26.11 ? 104 ILE A C     1 
ATOM   753  O  O     . ILE A 1 94  ? -13.072 6.803   -12.945 1.00 24.95 ? 104 ILE A O     1 
ATOM   754  C  CB    . ILE A 1 94  ? -14.150 9.606   -11.619 1.00 30.03 ? 104 ILE A CB    1 
ATOM   755  C  CG1   . ILE A 1 94  ? -12.989 10.047  -12.510 1.00 27.43 ? 104 ILE A CG1   1 
ATOM   756  C  CG2   . ILE A 1 94  ? -13.737 9.490   -10.189 1.00 30.21 ? 104 ILE A CG2   1 
ATOM   757  C  CD1   . ILE A 1 94  ? -13.311 10.216  -13.989 1.00 26.63 ? 104 ILE A CD1   1 
ATOM   758  N  N     . TYR A 1 95  ? -13.990 6.228   -10.978 1.00 26.56 ? 105 TYR A N     1 
ATOM   759  C  CA    . TYR A 1 95  ? -13.109 5.058   -10.890 1.00 30.76 ? 105 TYR A CA    1 
ATOM   760  C  C     . TYR A 1 95  ? -13.310 4.107   -12.066 1.00 29.70 ? 105 TYR A C     1 
ATOM   761  O  O     . TYR A 1 95  ? -12.382 3.396   -12.440 1.00 28.61 ? 105 TYR A O     1 
ATOM   762  C  CB    . TYR A 1 95  ? -13.250 4.314   -9.560  1.00 38.99 ? 105 TYR A CB    1 
ATOM   763  C  CG    . TYR A 1 95  ? -14.398 3.334   -9.511  1.00 33.82 ? 105 TYR A CG    1 
ATOM   764  C  CD1   . TYR A 1 95  ? -15.676 3.761   -9.189  1.00 48.35 ? 105 TYR A CD1   1 
ATOM   765  C  CD2   . TYR A 1 95  ? -14.217 1.979   -9.795  1.00 32.67 ? 105 TYR A CD2   1 
ATOM   766  C  CE1   . TYR A 1 95  ? -16.752 2.866   -9.138  1.00 43.95 ? 105 TYR A CE1   1 
ATOM   767  C  CE2   . TYR A 1 95  ? -15.276 1.082   -9.747  1.00 49.97 ? 105 TYR A CE2   1 
ATOM   768  C  CZ    . TYR A 1 95  ? -16.555 1.539   -9.428  1.00 45.29 ? 105 TYR A CZ    1 
ATOM   769  O  OH    . TYR A 1 95  ? -17.641 0.668   -9.370  1.00 42.28 ? 105 TYR A OH    1 
ATOM   770  N  N     . LYS A 1 96  ? -14.503 4.083   -12.666 1.00 26.18 ? 106 LYS A N     1 
ATOM   771  C  CA    . LYS A 1 96  ? -14.733 3.241   -13.837 1.00 23.45 ? 106 LYS A CA    1 
ATOM   772  C  C     . LYS A 1 96  ? -13.865 3.660   -15.015 1.00 25.05 ? 106 LYS A C     1 
ATOM   773  O  O     . LYS A 1 96  ? -13.503 2.822   -15.862 1.00 25.60 ? 106 LYS A O     1 
ATOM   774  C  CB    . LYS A 1 96  ? -16.215 3.302   -14.217 1.00 27.32 ? 106 LYS A CB    1 
ATOM   775  C  CG    . LYS A 1 96  ? -17.073 2.664   -13.178 1.00 29.20 ? 106 LYS A CG    1 
ATOM   776  C  CD    . LYS A 1 96  ? -18.552 2.557   -13.560 1.00 30.37 ? 106 LYS A CD    1 
ATOM   777  C  CE    . LYS A 1 96  ? -19.312 1.867   -12.424 1.00 41.97 ? 106 LYS A CE    1 
ATOM   778  N  NZ    . LYS A 1 96  ? -20.783 1.887   -12.606 1.00 44.25 ? 106 LYS A NZ    1 
ATOM   779  N  N     . PHE A 1 97  ? -13.570 4.949   -15.119 1.00 22.77 ? 107 PHE A N     1 
ATOM   780  C  CA    . PHE A 1 97  ? -12.688 5.398   -16.169 1.00 20.78 ? 107 PHE A CA    1 
ATOM   781  C  C     . PHE A 1 97  ? -11.270 4.953   -15.893 1.00 20.37 ? 107 PHE A C     1 
ATOM   782  O  O     . PHE A 1 97  ? -10.604 4.440   -16.790 1.00 20.42 ? 107 PHE A O     1 
ATOM   783  C  CB    . PHE A 1 97  ? -12.738 6.921   -16.244 1.00 20.29 ? 107 PHE A CB    1 
ATOM   784  C  CG    . PHE A 1 97  ? -13.985 7.443   -16.932 1.00 20.26 ? 107 PHE A CG    1 
ATOM   785  C  CD1   . PHE A 1 97  ? -14.023 7.562   -18.312 1.00 24.78 ? 107 PHE A CD1   1 
ATOM   786  C  CD2   . PHE A 1 97  ? -15.123 7.739   -16.208 1.00 25.12 ? 107 PHE A CD2   1 
ATOM   787  C  CE1   . PHE A 1 97  ? -15.153 8.029   -18.970 1.00 27.50 ? 107 PHE A CE1   1 
ATOM   788  C  CE2   . PHE A 1 97  ? -16.279 8.203   -16.862 1.00 23.79 ? 107 PHE A CE2   1 
ATOM   789  C  CZ    . PHE A 1 97  ? -16.270 8.357   -18.256 1.00 21.83 ? 107 PHE A CZ    1 
ATOM   790  N  N     . GLN A 1 98  ? -10.818 5.106   -14.643 1.00 18.77 ? 108 GLN A N     1 
ATOM   791  C  CA    . GLN A 1 98  ? -9.494  4.599   -14.275 1.00 23.32 ? 108 GLN A CA    1 
ATOM   792  C  C     . GLN A 1 98  ? -9.368  3.106   -14.570 1.00 23.23 ? 108 GLN A C     1 
ATOM   793  O  O     . GLN A 1 98  ? -8.342  2.675   -15.105 1.00 23.24 ? 108 GLN A O     1 
ATOM   794  C  CB    . GLN A 1 98  ? -9.217  4.868   -12.800 1.00 23.88 ? 108 GLN A CB    1 
ATOM   795  C  CG    . GLN A 1 98  ? -7.819  4.441   -12.354 1.00 27.63 ? 108 GLN A CG    1 
ATOM   796  C  CD    . GLN A 1 98  ? -7.826  3.250   -11.475 1.00 30.80 ? 108 GLN A CD    1 
ATOM   797  O  OE1   . GLN A 1 98  ? -8.771  2.452   -11.478 1.00 33.49 ? 108 GLN A OE1   1 
ATOM   798  N  NE2   . GLN A 1 98  ? -6.765  3.093   -10.712 1.00 39.95 ? 108 GLN A NE2   1 
ATOM   799  N  N     . ARG A 1 99  ? -10.379 2.301   -14.210 1.00 20.41 ? 109 ARG A N     1 
ATOM   800  C  CA    A ARG A 1 99  ? -10.308 0.868   -14.466 0.45 22.06 ? 109 ARG A CA    1 
ATOM   801  C  CA    B ARG A 1 99  ? -10.291 0.871   -14.463 0.55 22.01 ? 109 ARG A CA    1 
ATOM   802  C  C     . ARG A 1 99  ? -10.217 0.574   -15.957 1.00 27.27 ? 109 ARG A C     1 
ATOM   803  O  O     . ARG A 1 99  ? -9.506  -0.345  -16.384 1.00 21.49 ? 109 ARG A O     1 
ATOM   804  C  CB    A ARG A 1 99  ? -11.555 0.195   -13.901 0.45 24.91 ? 109 ARG A CB    1 
ATOM   805  C  CB    B ARG A 1 99  ? -11.491 0.163   -13.833 0.55 24.93 ? 109 ARG A CB    1 
ATOM   806  C  CG    A ARG A 1 99  ? -11.766 0.341   -12.400 0.45 31.82 ? 109 ARG A CG    1 
ATOM   807  C  CG    B ARG A 1 99  ? -11.412 -0.084  -12.309 0.55 27.89 ? 109 ARG A CG    1 
ATOM   808  C  CD    A ARG A 1 99  ? -10.826 -0.505  -11.566 0.45 30.73 ? 109 ARG A CD    1 
ATOM   809  C  CD    B ARG A 1 99  ? -9.997  -0.456  -11.841 0.55 25.01 ? 109 ARG A CD    1 
ATOM   810  N  NE    A ARG A 1 99  ? -11.494 -0.941  -10.346 0.45 29.33 ? 109 ARG A NE    1 
ATOM   811  N  NE    B ARG A 1 99  ? -9.940  -0.969  -10.473 0.55 31.02 ? 109 ARG A NE    1 
ATOM   812  C  CZ    A ARG A 1 99  ? -11.497 -0.286  -9.192  0.45 27.92 ? 109 ARG A CZ    1 
ATOM   813  C  CZ    B ARG A 1 99  ? -9.495  -0.286  -9.422  0.55 24.00 ? 109 ARG A CZ    1 
ATOM   814  N  NH1   A ARG A 1 99  ? -10.797 0.837   -9.030  0.45 29.70 ? 109 ARG A NH1   1 
ATOM   815  N  NH1   B ARG A 1 99  ? -9.142  0.992   -9.523  0.55 28.37 ? 109 ARG A NH1   1 
ATOM   816  N  NH2   A ARG A 1 99  ? -12.222 -0.768  -8.178  0.45 27.95 ? 109 ARG A NH2   1 
ATOM   817  N  NH2   B ARG A 1 99  ? -9.373  -0.908  -8.249  0.55 32.07 ? 109 ARG A NH2   1 
ATOM   818  N  N     . GLN A 1 100 ? -10.957 1.306   -16.781 1.00 22.00 ? 110 GLN A N     1 
ATOM   819  C  CA    . GLN A 1 100 ? -10.943 0.943   -18.192 1.00 22.03 ? 110 GLN A CA    1 
ATOM   820  C  C     . GLN A 1 100 ? -9.622  1.317   -18.828 1.00 20.02 ? 110 GLN A C     1 
ATOM   821  O  O     . GLN A 1 100 ? -9.136  0.581   -19.695 1.00 23.17 ? 110 GLN A O     1 
ATOM   822  C  CB    . GLN A 1 100 ? -12.120 1.537   -18.992 1.00 22.57 ? 110 GLN A CB    1 
ATOM   823  C  CG    . GLN A 1 100 ? -12.113 0.939   -20.418 1.00 27.14 ? 110 GLN A CG    1 
ATOM   824  C  CD    . GLN A 1 100 ? -13.242 1.465   -21.275 1.00 37.02 ? 110 GLN A CD    1 
ATOM   825  O  OE1   . GLN A 1 100 ? -13.976 2.367   -20.859 1.00 31.34 ? 110 GLN A OE1   1 
ATOM   826  N  NE2   . GLN A 1 100 ? -13.353 0.942   -22.497 1.00 33.34 ? 110 GLN A NE2   1 
ATOM   827  N  N     . ILE A 1 101 ? -9.058  2.463   -18.426 1.00 18.82 ? 111 ILE A N     1 
ATOM   828  C  CA    . ILE A 1 101 ? -7.743  2.881   -18.933 1.00 16.81 ? 111 ILE A CA    1 
ATOM   829  C  C     . ILE A 1 101 ? -6.723  1.800   -18.618 1.00 20.72 ? 111 ILE A C     1 
ATOM   830  O  O     . ILE A 1 101 ? -5.981  1.359   -19.501 1.00 23.41 ? 111 ILE A O     1 
ATOM   831  C  CB    . ILE A 1 101 ? -7.321  4.232   -18.352 1.00 18.32 ? 111 ILE A CB    1 
ATOM   832  C  CG1   . ILE A 1 101 ? -8.199  5.387   -18.870 1.00 19.34 ? 111 ILE A CG1   1 
ATOM   833  C  CG2   . ILE A 1 101 ? -5.854  4.507   -18.748 1.00 18.24 ? 111 ILE A CG2   1 
ATOM   834  C  CD1   . ILE A 1 101 ? -8.169  6.592   -17.955 1.00 21.38 ? 111 ILE A CD1   1 
ATOM   835  N  N     . LEU A 1 102 ? -6.690  1.355   -17.352 1.00 19.31 ? 112 LEU A N     1 
ATOM   836  C  CA    . LEU A 1 102 ? -5.667  0.336   -16.996 1.00 19.62 ? 112 LEU A CA    1 
ATOM   837  C  C     . LEU A 1 102 ? -5.916  -1.002  -17.680 1.00 23.16 ? 112 LEU A C     1 
ATOM   838  O  O     . LEU A 1 102 ? -4.964  -1.719  -17.998 1.00 22.55 ? 112 LEU A O     1 
ATOM   839  C  CB    . LEU A 1 102 ? -5.519  0.173   -15.475 1.00 19.92 ? 112 LEU A CB    1 
ATOM   840  C  CG    . LEU A 1 102 ? -5.096  1.423   -14.701 1.00 20.92 ? 112 LEU A CG    1 
ATOM   841  C  CD1   . LEU A 1 102 ? -5.079  1.078   -13.220 1.00 25.87 ? 112 LEU A CD1   1 
ATOM   842  C  CD2   . LEU A 1 102 ? -3.698  1.881   -15.164 1.00 22.10 ? 112 LEU A CD2   1 
ATOM   843  N  N     . ARG A 1 103 ? -7.178  -1.359  -17.926 1.00 20.68 ? 113 ARG A N     1 
ATOM   844  C  CA    . ARG A 1 103 ? -7.481  -2.581  -18.648 1.00 21.63 ? 113 ARG A CA    1 
ATOM   845  C  C     . ARG A 1 103 ? -7.016  -2.498  -20.093 1.00 21.53 ? 113 ARG A C     1 
ATOM   846  O  O     . ARG A 1 103 ? -6.384  -3.421  -20.608 1.00 25.59 ? 113 ARG A O     1 
ATOM   847  C  CB    . ARG A 1 103 ? -8.991  -2.811  -18.627 1.00 22.92 ? 113 ARG A CB    1 
ATOM   848  C  CG    . ARG A 1 103 ? -9.301  -4.195  -19.149 1.00 27.41 ? 113 ARG A CG    1 
ATOM   849  C  CD    . ARG A 1 103 ? -10.648 -4.739  -18.656 1.00 29.48 ? 113 ARG A CD    1 
ATOM   850  N  NE    . ARG A 1 103 ? -10.944 -6.030  -19.260 1.00 32.15 ? 113 ARG A NE    1 
ATOM   851  C  CZ    . ARG A 1 103 ? -12.045 -6.723  -19.007 1.00 35.59 ? 113 ARG A CZ    1 
ATOM   852  N  NH1   . ARG A 1 103 ? -12.957 -6.280  -18.149 1.00 36.69 ? 113 ARG A NH1   1 
ATOM   853  N  NH2   . ARG A 1 103 ? -12.245 -7.870  -19.643 1.00 35.88 ? 113 ARG A NH2   1 
ATOM   854  N  N     . VAL A 1 104 ? -7.287  -1.372  -20.759 1.00 22.21 ? 114 VAL A N     1 
ATOM   855  C  CA    . VAL A 1 104 ? -6.834  -1.232  -22.140 1.00 21.86 ? 114 VAL A CA    1 
ATOM   856  C  C     . VAL A 1 104 ? -5.309  -1.226  -22.218 1.00 22.42 ? 114 VAL A C     1 
ATOM   857  O  O     . VAL A 1 104 ? -4.730  -1.779  -23.157 1.00 26.85 ? 114 VAL A O     1 
ATOM   858  C  CB    . VAL A 1 104 ? -7.432  0.065   -22.705 1.00 21.72 ? 114 VAL A CB    1 
ATOM   859  C  CG1   . VAL A 1 104 ? -6.760  0.444   -23.999 1.00 28.60 ? 114 VAL A CG1   1 
ATOM   860  C  CG2   . VAL A 1 104 ? -8.961  -0.145  -22.883 1.00 24.08 ? 114 VAL A CG2   1 
ATOM   861  N  N     . LYS A 1 105 ? -4.650  -0.571  -21.265 1.00 21.95 ? 115 LYS A N     1 
ATOM   862  C  CA    . LYS A 1 105 ? -3.180  -0.495  -21.279 1.00 22.22 ? 115 LYS A CA    1 
ATOM   863  C  C     . LYS A 1 105 ? -2.576  -1.787  -20.806 1.00 26.11 ? 115 LYS A C     1 
ATOM   864  O  O     . LYS A 1 105 ? -1.393  -2.025  -21.059 1.00 23.48 ? 115 LYS A O     1 
ATOM   865  C  CB    . LYS A 1 105 ? -2.657  0.660   -20.384 1.00 19.06 ? 115 LYS A CB    1 
ATOM   866  C  CG    . LYS A 1 105 ? -3.154  2.083   -20.722 1.00 20.23 ? 115 LYS A CG    1 
ATOM   867  C  CD    . LYS A 1 105 ? -2.573  2.485   -22.064 1.00 20.23 ? 115 LYS A CD    1 
ATOM   868  C  CE    . LYS A 1 105 ? -2.906  3.964   -22.351 1.00 20.24 ? 115 LYS A CE    1 
ATOM   869  N  NZ    . LYS A 1 105 ? -2.454  4.265   -23.734 1.00 24.09 ? 115 LYS A NZ    1 
ATOM   870  N  N     . ASP A 1 106 ? -3.350  -2.616  -20.105 1.00 22.83 ? 116 ASP A N     1 
ATOM   871  C  CA    . ASP A 1 106 ? -2.807  -3.867  -19.530 1.00 22.87 ? 116 ASP A CA    1 
ATOM   872  C  C     . ASP A 1 106 ? -1.616  -3.571  -18.606 1.00 22.69 ? 116 ASP A C     1 
ATOM   873  O  O     . ASP A 1 106 ? -0.598  -4.295  -18.624 1.00 26.21 ? 116 ASP A O     1 
ATOM   874  C  CB    . ASP A 1 106 ? -2.498  -4.932  -20.618 1.00 24.69 ? 116 ASP A CB    1 
ATOM   875  C  CG    . ASP A 1 106 ? -2.374  -6.371  -20.083 1.00 27.33 ? 116 ASP A CG    1 
ATOM   876  O  OD1   . ASP A 1 106 ? -2.874  -6.668  -18.971 1.00 31.61 ? 116 ASP A OD1   1 
ATOM   877  O  OD2   . ASP A 1 106 ? -1.757  -7.222  -20.781 1.00 37.10 ? 116 ASP A OD2   1 
ATOM   878  N  N     . ARG A 1 107 ? -1.770  -2.514  -17.787 1.00 22.54 ? 117 ARG A N     1 
ATOM   879  C  CA    A ARG A 1 107 ? -0.733  -2.021  -16.884 0.41 24.39 ? 117 ARG A CA    1 
ATOM   880  C  CA    B ARG A 1 107 ? -0.744  -1.993  -16.888 0.59 24.39 ? 117 ARG A CA    1 
ATOM   881  C  C     . ARG A 1 107 ? -1.326  -1.806  -15.494 1.00 25.98 ? 117 ARG A C     1 
ATOM   882  O  O     . ARG A 1 107 ? -2.531  -1.591  -15.335 1.00 23.11 ? 117 ARG A O     1 
ATOM   883  C  CB    A ARG A 1 107 ? -0.168  -0.670  -17.400 0.41 26.59 ? 117 ARG A CB    1 
ATOM   884  C  CB    B ARG A 1 107 ? -0.333  -0.582  -17.368 0.59 25.86 ? 117 ARG A CB    1 
ATOM   885  C  CG    A ARG A 1 107 ? 1.248   -0.759  -17.977 0.41 34.07 ? 117 ARG A CG    1 
ATOM   886  C  CG    B ARG A 1 107 ? 0.419   -0.610  -18.677 0.59 29.75 ? 117 ARG A CG    1 
ATOM   887  C  CD    A ARG A 1 107 ? 1.448   0.164   -19.194 0.41 31.27 ? 117 ARG A CD    1 
ATOM   888  C  CD    B ARG A 1 107 ? 1.827   -1.186  -18.499 0.59 30.84 ? 117 ARG A CD    1 
ATOM   889  N  NE    A ARG A 1 107 ? 0.809   -0.411  -20.376 0.41 32.77 ? 117 ARG A NE    1 
ATOM   890  N  NE    B ARG A 1 107 ? 2.530   -0.584  -17.365 0.59 30.86 ? 117 ARG A NE    1 
ATOM   891  C  CZ    A ARG A 1 107 ? 0.821   0.121   -21.593 0.41 30.71 ? 117 ARG A CZ    1 
ATOM   892  C  CZ    B ARG A 1 107 ? 3.057   0.634   -17.352 0.59 39.39 ? 117 ARG A CZ    1 
ATOM   893  N  NH1   A ARG A 1 107 ? 1.421   1.276   -21.840 0.41 29.99 ? 117 ARG A NH1   1 
ATOM   894  N  NH1   B ARG A 1 107 ? 2.923   1.461   -18.378 0.59 43.39 ? 117 ARG A NH1   1 
ATOM   895  N  NH2   A ARG A 1 107 ? 0.214   -0.523  -22.586 0.41 23.47 ? 117 ARG A NH2   1 
ATOM   896  N  NH2   B ARG A 1 107 ? 3.734   1.033   -16.278 0.59 31.51 ? 117 ARG A NH2   1 
ATOM   897  N  N     . ASP A 1 108 ? -0.471  -1.864  -14.470 1.00 23.05 ? 118 ASP A N     1 
ATOM   898  C  CA    . ASP A 1 108 ? -0.922  -1.625  -13.094 1.00 22.37 ? 118 ASP A CA    1 
ATOM   899  C  C     . ASP A 1 108 ? -1.025  -0.146  -12.732 1.00 25.91 ? 118 ASP A C     1 
ATOM   900  O  O     . ASP A 1 108 ? -1.747  0.198   -11.787 1.00 24.05 ? 118 ASP A O     1 
ATOM   901  C  CB    . ASP A 1 108 ? -0.016  -2.391  -12.103 1.00 23.95 ? 118 ASP A CB    1 
ATOM   902  C  CG    . ASP A 1 108 ? -0.132  -3.880  -12.235 1.00 27.87 ? 118 ASP A CG    1 
ATOM   903  O  OD1   . ASP A 1 108 ? -1.241  -4.410  -12.467 1.00 27.14 ? 118 ASP A OD1   1 
ATOM   904  O  OD2   . ASP A 1 108 ? 0.894   -4.556  -12.086 1.00 30.24 ? 118 ASP A OD2   1 
ATOM   905  N  N     . GLU A 1 109 ? -0.291  0.709   -13.432 1.00 20.64 ? 119 GLU A N     1 
ATOM   906  C  CA    . GLU A 1 109 ? -0.346  2.160   -13.291 1.00 21.04 ? 119 GLU A CA    1 
ATOM   907  C  C     . GLU A 1 109 ? -0.144  2.800   -14.658 1.00 18.95 ? 119 GLU A C     1 
ATOM   908  O  O     . GLU A 1 109 ? 0.428   2.196   -15.568 1.00 22.74 ? 119 GLU A O     1 
ATOM   909  C  CB    . GLU A 1 109 ? 0.762   2.671   -12.359 1.00 28.24 ? 119 GLU A CB    1 
ATOM   910  C  CG    . GLU A 1 109 ? 0.621   2.253   -10.894 1.00 36.17 ? 119 GLU A CG    1 
ATOM   911  C  CD    . GLU A 1 109 ? 1.554   3.030   -9.986  1.00 42.04 ? 119 GLU A CD    1 
ATOM   912  O  OE1   . GLU A 1 109 ? 1.706   4.250   -10.228 1.00 38.70 ? 119 GLU A OE1   1 
ATOM   913  O  OE2   . GLU A 1 109 ? 2.140   2.433   -9.057  1.00 48.86 ? 119 GLU A OE2   1 
ATOM   914  N  N     . PHE A 1 110 ? -0.624  4.039   -14.808 1.00 17.70 ? 120 PHE A N     1 
ATOM   915  C  CA    . PHE A 1 110 ? -0.478  4.754   -16.064 1.00 19.13 ? 120 PHE A CA    1 
ATOM   916  C  C     . PHE A 1 110 ? -0.730  6.211   -15.732 1.00 21.27 ? 120 PHE A C     1 
ATOM   917  O  O     . PHE A 1 110 ? -1.572  6.494   -14.864 1.00 21.75 ? 120 PHE A O     1 
ATOM   918  C  CB    . PHE A 1 110 ? -1.516  4.304   -17.115 1.00 19.53 ? 120 PHE A CB    1 
ATOM   919  C  CG    . PHE A 1 110 ? -1.194  4.779   -18.489 1.00 21.81 ? 120 PHE A CG    1 
ATOM   920  C  CD1   . PHE A 1 110 ? -0.240  4.121   -19.228 1.00 22.01 ? 120 PHE A CD1   1 
ATOM   921  C  CD2   . PHE A 1 110 ? -1.715  5.986   -18.992 1.00 18.88 ? 120 PHE A CD2   1 
ATOM   922  C  CE1   . PHE A 1 110 ? 0.138   4.550   -20.483 1.00 22.37 ? 120 PHE A CE1   1 
ATOM   923  C  CE2   . PHE A 1 110 ? -1.351  6.418   -20.260 1.00 21.43 ? 120 PHE A CE2   1 
ATOM   924  C  CZ    . PHE A 1 110 ? -0.390  5.727   -20.993 1.00 22.71 ? 120 PHE A CZ    1 
ATOM   925  N  N     . PRO A 1 111 ? -0.039  7.167   -16.418 1.00 20.77 ? 121 PRO A N     1 
ATOM   926  C  CA    . PRO A 1 111 ? -0.150  8.590   -16.064 1.00 19.58 ? 121 PRO A CA    1 
ATOM   927  C  C     . PRO A 1 111 ? -1.560  9.156   -16.055 1.00 18.19 ? 121 PRO A C     1 
ATOM   928  O  O     . PRO A 1 111 ? -2.249  9.148   -17.078 1.00 19.51 ? 121 PRO A O     1 
ATOM   929  C  CB    . PRO A 1 111 ? 0.671   9.287   -17.162 1.00 23.10 ? 121 PRO A CB    1 
ATOM   930  C  CG    . PRO A 1 111 ? 1.690   8.366   -17.569 1.00 21.29 ? 121 PRO A CG    1 
ATOM   931  C  CD    . PRO A 1 111 ? 1.114   6.893   -17.302 1.00 19.35 ? 121 PRO A CD    1 
ATOM   932  N  N     . MET A 1 112 ? -2.002  9.595   -14.878 1.00 17.68 ? 122 MET A N     1 
ATOM   933  C  CA    . MET A 1 112 ? -3.352  10.127  -14.661 1.00 19.69 ? 122 MET A CA    1 
ATOM   934  C  C     . MET A 1 112 ? -3.289  11.150  -13.535 1.00 19.99 ? 122 MET A C     1 
ATOM   935  O  O     . MET A 1 112 ? -2.379  11.134  -12.715 1.00 22.97 ? 122 MET A O     1 
ATOM   936  C  CB    . MET A 1 112 ? -4.319  8.994   -14.259 1.00 21.29 ? 122 MET A CB    1 
ATOM   937  C  CG    . MET A 1 112 ? -4.499  7.976   -15.290 1.00 18.67 ? 122 MET A CG    1 
ATOM   938  S  SD    . MET A 1 112 ? -5.624  6.710   -14.595 1.00 25.57 ? 122 MET A SD    1 
ATOM   939  C  CE    . MET A 1 112 ? -5.125  5.220   -15.384 1.00 26.78 ? 122 MET A CE    1 
ATOM   940  N  N     . ILE A 1 113 ? -4.255  12.084  -13.523 1.00 19.18 ? 123 ILE A N     1 
ATOM   941  C  CA    A ILE A 1 113 ? -4.497  13.016  -12.416 0.48 17.75 ? 123 ILE A CA    1 
ATOM   942  C  CA    B ILE A 1 113 ? -4.488  12.956  -12.378 0.52 17.74 ? 123 ILE A CA    1 
ATOM   943  C  C     . ILE A 1 113 ? -5.996  13.116  -12.194 1.00 18.37 ? 123 ILE A C     1 
ATOM   944  O  O     . ILE A 1 113 ? -6.756  13.142  -13.168 1.00 19.19 ? 123 ILE A O     1 
ATOM   945  C  CB    A ILE A 1 113 ? -4.000  14.437  -12.762 0.48 19.48 ? 123 ILE A CB    1 
ATOM   946  C  CB    B ILE A 1 113 ? -3.736  14.307  -12.539 0.52 20.41 ? 123 ILE A CB    1 
ATOM   947  C  CG1   A ILE A 1 113 ? -2.510  14.437  -12.991 0.48 18.04 ? 123 ILE A CG1   1 
ATOM   948  C  CG1   B ILE A 1 113 ? -3.908  15.222  -11.332 0.52 21.29 ? 123 ILE A CG1   1 
ATOM   949  C  CG2   A ILE A 1 113 ? -4.361  15.431  -11.684 0.48 21.06 ? 123 ILE A CG2   1 
ATOM   950  C  CG2   B ILE A 1 113 ? -4.153  14.964  -13.795 0.52 21.61 ? 123 ILE A CG2   1 
ATOM   951  C  CD1   A ILE A 1 113 ? -1.971  15.807  -13.112 0.48 28.77 ? 123 ILE A CD1   1 
ATOM   952  C  CD1   B ILE A 1 113 ? -2.959  16.461  -11.379 0.52 19.53 ? 123 ILE A CD1   1 
ATOM   953  N  N     . LEU A 1 114 ? -6.417  13.198  -10.932 1.00 19.58 ? 124 LEU A N     1 
ATOM   954  C  CA    . LEU A 1 114 ? -7.823  13.339  -10.575 1.00 18.20 ? 124 LEU A CA    1 
ATOM   955  C  C     . LEU A 1 114 ? -8.116  14.818  -10.407 1.00 21.46 ? 124 LEU A C     1 
ATOM   956  O  O     . LEU A 1 114 ? -7.435  15.508  -9.642  1.00 23.30 ? 124 LEU A O     1 
ATOM   957  C  CB    . LEU A 1 114 ? -8.108  12.586  -9.275  1.00 24.76 ? 124 LEU A CB    1 
ATOM   958  C  CG    . LEU A 1 114 ? -9.573  12.585  -8.821  1.00 22.92 ? 124 LEU A CG    1 
ATOM   959  C  CD1   . LEU A 1 114 ? -10.438 11.825  -9.848  1.00 24.80 ? 124 LEU A CD1   1 
ATOM   960  C  CD2   . LEU A 1 114 ? -9.689  12.032  -7.422  1.00 28.94 ? 124 LEU A CD2   1 
ATOM   961  N  N     . ILE A 1 115 ? -9.144  15.286  -11.091 1.00 19.09 ? 125 ILE A N     1 
ATOM   962  C  CA    . ILE A 1 115 ? -9.519  16.705  -11.064 1.00 19.15 ? 125 ILE A CA    1 
ATOM   963  C  C     . ILE A 1 115 ? -10.935 16.819  -10.518 1.00 22.22 ? 125 ILE A C     1 
ATOM   964  O  O     . ILE A 1 115 ? -11.879 16.284  -11.111 1.00 24.09 ? 125 ILE A O     1 
ATOM   965  C  CB    . ILE A 1 115 ? -9.435  17.340  -12.460 1.00 19.25 ? 125 ILE A CB    1 
ATOM   966  C  CG1   . ILE A 1 115 ? -8.039  17.198  -13.118 1.00 19.14 ? 125 ILE A CG1   1 
ATOM   967  C  CG2   . ILE A 1 115 ? -9.877  18.863  -12.420 1.00 19.90 ? 125 ILE A CG2   1 
ATOM   968  C  CD1   . ILE A 1 115 ? -6.862  17.903  -12.382 1.00 22.47 ? 125 ILE A CD1   1 
ATOM   969  N  N     . GLY A 1 116 ? -11.081 17.560  -9.427  1.00 22.63 ? 126 GLY A N     1 
ATOM   970  C  CA    . GLY A 1 116 ? -12.370 17.915  -8.900  1.00 21.71 ? 126 GLY A CA    1 
ATOM   971  C  C     . GLY A 1 116 ? -12.736 19.297  -9.404  1.00 21.43 ? 126 GLY A C     1 
ATOM   972  O  O     . GLY A 1 116 ? -12.282 20.315  -8.841  1.00 24.35 ? 126 GLY A O     1 
ATOM   973  N  N     . ASN A 1 117 ? -13.571 19.352  -10.440 1.00 21.78 ? 127 ASN A N     1 
ATOM   974  C  CA    . ASN A 1 117 ? -13.935 20.622  -11.069 1.00 20.70 ? 127 ASN A CA    1 
ATOM   975  C  C     . ASN A 1 117 ? -15.169 21.214  -10.396 1.00 26.29 ? 127 ASN A C     1 
ATOM   976  O  O     . ASN A 1 117 ? -15.852 20.564  -9.596  1.00 24.35 ? 127 ASN A O     1 
ATOM   977  C  CB    . ASN A 1 117 ? -14.180 20.387  -12.560 1.00 22.22 ? 127 ASN A CB    1 
ATOM   978  C  CG    . ASN A 1 117 ? -14.280 21.669  -13.353 1.00 25.08 ? 127 ASN A CG    1 
ATOM   979  O  OD1   . ASN A 1 117 ? -13.518 22.631  -13.134 1.00 22.34 ? 127 ASN A OD1   1 
ATOM   980  N  ND2   . ASN A 1 117 ? -15.249 21.709  -14.261 1.00 23.04 ? 127 ASN A ND2   1 
ATOM   981  N  N     . LYS A 1 118 ? -15.416 22.492  -10.729 1.00 24.64 ? 128 LYS A N     1 
ATOM   982  C  CA    . LYS A 1 118 ? -16.524 23.318  -10.228 1.00 24.54 ? 128 LYS A CA    1 
ATOM   983  C  C     . LYS A 1 118 ? -16.322 23.731  -8.775  1.00 28.74 ? 128 LYS A C     1 
ATOM   984  O  O     . LYS A 1 118 ? -17.288 23.946  -8.043  1.00 28.67 ? 128 LYS A O     1 
ATOM   985  C  CB    . LYS A 1 118 ? -17.931 22.722  -10.458 1.00 29.99 ? 128 LYS A CB    1 
ATOM   986  C  CG    . LYS A 1 118 ? -18.145 22.161  -11.872 1.00 24.63 ? 128 LYS A CG    1 
ATOM   987  C  CD    . LYS A 1 118 ? -19.629 22.065  -12.231 1.00 23.30 ? 128 LYS A CD    1 
ATOM   988  C  CE    . LYS A 1 118 ? -19.805 21.375  -13.585 1.00 23.43 ? 128 LYS A CE    1 
ATOM   989  N  NZ    . LYS A 1 118 ? -21.253 21.144  -13.899 1.00 24.60 ? 128 LYS A NZ    1 
ATOM   990  N  N     . ALA A 1 119 ? -15.060 23.850  -8.351  1.00 28.76 ? 129 ALA A N     1 
ATOM   991  C  CA    . ALA A 1 119 ? -14.748 24.305  -6.995  1.00 31.07 ? 129 ALA A CA    1 
ATOM   992  C  C     . ALA A 1 119 ? -15.228 25.725  -6.709  1.00 29.03 ? 129 ALA A C     1 
ATOM   993  O  O     . ALA A 1 119 ? -15.288 26.123  -5.541  1.00 31.96 ? 129 ALA A O     1 
ATOM   994  C  CB    . ALA A 1 119 ? -13.244 24.233  -6.744  1.00 31.40 ? 129 ALA A CB    1 
ATOM   995  N  N     . ASP A 1 120 ? -15.549 26.498  -7.734  1.00 29.69 ? 130 ASP A N     1 
ATOM   996  C  CA    . ASP A 1 120 ? -16.168 27.799  -7.501  1.00 31.08 ? 130 ASP A CA    1 
ATOM   997  C  C     . ASP A 1 120 ? -17.583 27.686  -6.936  1.00 32.59 ? 130 ASP A C     1 
ATOM   998  O  O     . ASP A 1 120 ? -18.075 28.662  -6.346  1.00 34.81 ? 130 ASP A O     1 
ATOM   999  C  CB    . ASP A 1 120 ? -16.232 28.561  -8.810  1.00 27.59 ? 130 ASP A CB    1 
ATOM   1000 C  CG    . ASP A 1 120 ? -17.066 27.853  -9.860  1.00 30.98 ? 130 ASP A CG    1 
ATOM   1001 O  OD1   . ASP A 1 120 ? -16.602 26.812  -10.407 1.00 25.49 ? 130 ASP A OD1   1 
ATOM   1002 O  OD2   . ASP A 1 120 ? -18.202 28.331  -10.119 1.00 33.46 ? 130 ASP A OD2   1 
ATOM   1003 N  N     . LEU A 1 121 ? -18.259 26.550  -7.131  1.00 33.46 ? 131 LEU A N     1 
ATOM   1004 C  CA    . LEU A 1 121 ? -19.632 26.383  -6.640  1.00 36.33 ? 131 LEU A CA    1 
ATOM   1005 C  C     . LEU A 1 121 ? -19.572 25.931  -5.188  1.00 41.11 ? 131 LEU A C     1 
ATOM   1006 O  O     . LEU A 1 121 ? -19.992 24.835  -4.817  1.00 43.51 ? 131 LEU A O     1 
ATOM   1007 C  CB    . LEU A 1 121 ? -20.433 25.420  -7.503  1.00 32.30 ? 131 LEU A CB    1 
ATOM   1008 C  CG    . LEU A 1 121 ? -20.623 25.923  -8.931  1.00 29.71 ? 131 LEU A CG    1 
ATOM   1009 C  CD1   . LEU A 1 121 ? -21.453 24.921  -9.719  1.00 34.88 ? 131 LEU A CD1   1 
ATOM   1010 C  CD2   . LEU A 1 121 ? -21.293 27.296  -8.909  1.00 33.12 ? 131 LEU A CD2   1 
ATOM   1011 N  N     . ASP A 1 122 ? -19.006 26.815  -4.366  1.00 54.91 ? 132 ASP A N     1 
ATOM   1012 C  CA    . ASP A 1 122 ? -18.697 26.477  -2.985  1.00 56.24 ? 132 ASP A CA    1 
ATOM   1013 C  C     . ASP A 1 122 ? -19.946 26.108  -2.198  1.00 52.81 ? 132 ASP A C     1 
ATOM   1014 O  O     . ASP A 1 122 ? -19.888 25.236  -1.324  1.00 59.23 ? 132 ASP A O     1 
ATOM   1015 C  CB    . ASP A 1 122 ? -17.979 27.654  -2.324  1.00 63.86 ? 132 ASP A CB    1 
ATOM   1016 C  CG    . ASP A 1 122 ? -17.200 27.242  -1.095  1.00 69.52 ? 132 ASP A CG    1 
ATOM   1017 O  OD1   . ASP A 1 122 ? -17.079 26.018  -0.857  1.00 73.60 ? 132 ASP A OD1   1 
ATOM   1018 O  OD2   . ASP A 1 122 ? -16.713 28.140  -0.372  1.00 77.24 ? 132 ASP A OD2   1 
ATOM   1019 N  N     . HIS A 1 123 ? -21.078 26.743  -2.490  1.00 48.37 ? 133 HIS A N     1 
ATOM   1020 C  CA    . HIS A 1 123 ? -22.306 26.485  -1.744  1.00 48.11 ? 133 HIS A CA    1 
ATOM   1021 C  C     . HIS A 1 123 ? -23.141 25.338  -2.316  1.00 46.39 ? 133 HIS A C     1 
ATOM   1022 O  O     . HIS A 1 123 ? -24.252 25.099  -1.834  1.00 52.55 ? 133 HIS A O     1 
ATOM   1023 C  CB    . HIS A 1 123 ? -23.143 27.768  -1.612  1.00 55.06 ? 133 HIS A CB    1 
ATOM   1024 N  N     . GLN A 1 124 ? -22.625 24.602  -3.302  1.00 47.49 ? 134 GLN A N     1 
ATOM   1025 C  CA    . GLN A 1 124 ? -23.360 23.516  -3.950  1.00 44.31 ? 134 GLN A CA    1 
ATOM   1026 C  C     . GLN A 1 124 ? -22.608 22.186  -3.891  1.00 48.34 ? 134 GLN A C     1 
ATOM   1027 O  O     . GLN A 1 124 ? -23.039 21.210  -4.521  1.00 44.03 ? 134 GLN A O     1 
ATOM   1028 C  CB    . GLN A 1 124 ? -23.654 23.837  -5.425  1.00 51.49 ? 134 GLN A CB    1 
ATOM   1029 C  CG    . GLN A 1 124 ? -24.644 24.970  -5.697  1.00 46.31 ? 134 GLN A CG    1 
ATOM   1030 C  CD    . GLN A 1 124 ? -24.065 26.360  -5.486  1.00 51.87 ? 134 GLN A CD    1 
ATOM   1031 O  OE1   . GLN A 1 124 ? -22.903 26.626  -5.803  1.00 67.89 ? 134 GLN A OE1   1 
ATOM   1032 N  NE2   . GLN A 1 124 ? -24.881 27.259  -4.939  1.00 59.69 ? 134 GLN A NE2   1 
ATOM   1033 N  N     . ARG A 1 125 ? -21.492 22.125  -3.166  1.00 45.06 ? 135 ARG A N     1 
ATOM   1034 C  CA    . ARG A 1 125 ? -20.657 20.932  -3.157  1.00 45.63 ? 135 ARG A CA    1 
ATOM   1035 C  C     . ARG A 1 125 ? -21.405 19.715  -2.627  1.00 53.82 ? 135 ARG A C     1 
ATOM   1036 O  O     . ARG A 1 125 ? -22.152 19.796  -1.649  1.00 47.56 ? 135 ARG A O     1 
ATOM   1037 C  CB    . ARG A 1 125 ? -19.446 21.163  -2.266  1.00 44.34 ? 135 ARG A CB    1 
ATOM   1038 C  CG    . ARG A 1 125 ? -18.306 21.881  -2.919  1.00 50.62 ? 135 ARG A CG    1 
ATOM   1039 C  CD    . ARG A 1 125 ? -17.178 21.984  -1.927  1.00 54.17 ? 135 ARG A CD    1 
ATOM   1040 N  NE    . ARG A 1 125 ? -15.947 22.467  -2.530  1.00 58.92 ? 135 ARG A NE    1 
ATOM   1041 C  CZ    . ARG A 1 125 ? -14.966 21.690  -2.970  1.00 39.11 ? 135 ARG A CZ    1 
ATOM   1042 N  NH1   . ARG A 1 125 ? -15.043 20.370  -2.913  1.00 42.59 ? 135 ARG A NH1   1 
ATOM   1043 N  NH2   . ARG A 1 125 ? -13.876 22.252  -3.473  1.00 41.35 ? 135 ARG A NH2   1 
ATOM   1044 N  N     . GLN A 1 126 ? -21.174 18.574  -3.272  1.00 42.67 ? 136 GLN A N     1 
ATOM   1045 C  CA    . GLN A 1 126 ? -21.571 17.273  -2.759  1.00 42.28 ? 136 GLN A CA    1 
ATOM   1046 C  C     . GLN A 1 126 ? -20.373 16.416  -2.367  1.00 43.36 ? 136 GLN A C     1 
ATOM   1047 O  O     . GLN A 1 126 ? -20.554 15.383  -1.724  1.00 49.50 ? 136 GLN A O     1 
ATOM   1048 C  CB    . GLN A 1 126 ? -22.446 16.539  -3.795  1.00 38.81 ? 136 GLN A CB    1 
ATOM   1049 C  CG    . GLN A 1 126 ? -23.763 17.280  -4.100  1.00 47.41 ? 136 GLN A CG    1 
ATOM   1050 C  CD    . GLN A 1 126 ? -24.657 16.582  -5.123  1.00 52.66 ? 136 GLN A CD    1 
ATOM   1051 O  OE1   . GLN A 1 126 ? -24.303 15.547  -5.700  1.00 43.73 ? 136 GLN A OE1   1 
ATOM   1052 N  NE2   . GLN A 1 126 ? -25.830 17.157  -5.352  1.00 55.31 ? 136 GLN A NE2   1 
ATOM   1053 N  N     . VAL A 1 127 ? -19.157 16.833  -2.713  1.00 40.20 ? 137 VAL A N     1 
ATOM   1054 C  CA    . VAL A 1 127 ? -17.933 16.081  -2.453  1.00 39.44 ? 137 VAL A CA    1 
ATOM   1055 C  C     . VAL A 1 127 ? -16.941 17.036  -1.810  1.00 36.86 ? 137 VAL A C     1 
ATOM   1056 O  O     . VAL A 1 127 ? -16.605 18.071  -2.394  1.00 42.11 ? 137 VAL A O     1 
ATOM   1057 C  CB    . VAL A 1 127 ? -17.324 15.515  -3.749  1.00 39.78 ? 137 VAL A CB    1 
ATOM   1058 C  CG1   . VAL A 1 127 ? -16.071 14.675  -3.427  1.00 37.63 ? 137 VAL A CG1   1 
ATOM   1059 C  CG2   . VAL A 1 127 ? -18.361 14.690  -4.523  1.00 39.71 ? 137 VAL A CG2   1 
ATOM   1060 N  N     . THR A 1 128 ? -16.450 16.681  -0.632  1.00 44.57 ? 138 THR A N     1 
ATOM   1061 C  CA    . THR A 1 128 ? -15.512 17.560  0.033   1.00 48.47 ? 138 THR A CA    1 
ATOM   1062 C  C     . THR A 1 128 ? -14.112 17.348  -0.529  1.00 47.02 ? 138 THR A C     1 
ATOM   1063 O  O     . THR A 1 128 ? -13.830 16.358  -1.208  1.00 39.10 ? 138 THR A O     1 
ATOM   1064 C  CB    . THR A 1 128 ? -15.490 17.266  1.523   1.00 50.35 ? 138 THR A CB    1 
ATOM   1065 O  OG1   . THR A 1 128 ? -14.796 16.036  1.729   1.00 46.48 ? 138 THR A OG1   1 
ATOM   1066 C  CG2   . THR A 1 128 ? -16.914 17.137  2.058   1.00 41.44 ? 138 THR A CG2   1 
ATOM   1067 N  N     . GLN A 1 129 ? -13.230 18.304  -0.241  1.00 42.24 ? 139 GLN A N     1 
ATOM   1068 C  CA    A GLN A 1 129 ? -11.853 18.203  -0.708  0.44 42.29 ? 139 GLN A CA    1 
ATOM   1069 C  CA    B GLN A 1 129 ? -11.857 18.193  -0.717  0.56 42.25 ? 139 GLN A CA    1 
ATOM   1070 C  C     . GLN A 1 129 ? -11.161 16.977  -0.130  1.00 46.53 ? 139 GLN A C     1 
ATOM   1071 O  O     . GLN A 1 129 ? -10.343 16.347  -0.808  1.00 39.05 ? 139 GLN A O     1 
ATOM   1072 C  CB    A GLN A 1 129 ? -11.095 19.486  -0.356  0.44 44.34 ? 139 GLN A CB    1 
ATOM   1073 C  CB    B GLN A 1 129 ? -11.070 19.462  -0.391  0.56 44.34 ? 139 GLN A CB    1 
ATOM   1074 C  CG    A GLN A 1 129 ? -11.773 20.755  -0.887  0.44 45.90 ? 139 GLN A CG    1 
ATOM   1075 C  CG    B GLN A 1 129 ? -9.699  19.495  -1.043  0.56 38.71 ? 139 GLN A CG    1 
ATOM   1076 C  CD    A GLN A 1 129 ? -11.087 22.046  -0.456  0.44 45.17 ? 139 GLN A CD    1 
ATOM   1077 C  CD    B GLN A 1 129 ? -8.967  20.803  -0.827  0.56 43.54 ? 139 GLN A CD    1 
ATOM   1078 O  OE1   A GLN A 1 129 ? -10.492 22.125  0.618   0.44 49.19 ? 139 GLN A OE1   1 
ATOM   1079 O  OE1   B GLN A 1 129 ? -9.260  21.546  0.107   0.56 51.12 ? 139 GLN A OE1   1 
ATOM   1080 N  NE2   A GLN A 1 129 ? -11.181 23.065  -1.294  0.44 41.95 ? 139 GLN A NE2   1 
ATOM   1081 N  NE2   B GLN A 1 129 ? -8.008  21.092  -1.701  0.56 48.10 ? 139 GLN A NE2   1 
ATOM   1082 N  N     . GLU A 1 130 ? -11.479 16.622  1.116   1.00 48.52 ? 140 GLU A N     1 
ATOM   1083 C  CA    . GLU A 1 130 ? -10.867 15.446  1.728   1.00 47.34 ? 140 GLU A CA    1 
ATOM   1084 C  C     . GLU A 1 130 ? -11.326 14.159  1.049   1.00 43.28 ? 140 GLU A C     1 
ATOM   1085 O  O     . GLU A 1 130 ? -10.543 13.209  0.936   1.00 41.56 ? 140 GLU A O     1 
ATOM   1086 C  CB    . GLU A 1 130 ? -11.165 15.403  3.231   1.00 50.09 ? 140 GLU A CB    1 
ATOM   1087 C  CG    . GLU A 1 130 ? -10.537 16.547  4.043   1.00 54.86 ? 140 GLU A CG    1 
ATOM   1088 C  CD    . GLU A 1 130 ? -11.120 17.933  3.716   1.00 66.76 ? 140 GLU A CD    1 
ATOM   1089 O  OE1   . GLU A 1 130 ? -12.277 18.016  3.235   1.00 62.73 ? 140 GLU A OE1   1 
ATOM   1090 O  OE2   . GLU A 1 130 ? -10.411 18.946  3.932   1.00 74.96 ? 140 GLU A OE2   1 
ATOM   1091 N  N     . GLU A 1 131 ? -12.588 14.115  0.604   1.00 43.87 ? 141 GLU A N     1 
ATOM   1092 C  CA    . GLU A 1 131 ? -13.090 12.961  -0.136  1.00 37.02 ? 141 GLU A CA    1 
ATOM   1093 C  C     . GLU A 1 131 ? -12.355 12.790  -1.458  1.00 36.21 ? 141 GLU A C     1 
ATOM   1094 O  O     . GLU A 1 131 ? -11.978 11.669  -1.828  1.00 37.22 ? 141 GLU A O     1 
ATOM   1095 C  CB    . GLU A 1 131 ? -14.589 13.121  -0.380  1.00 41.80 ? 141 GLU A CB    1 
ATOM   1096 C  CG    . GLU A 1 131 ? -15.416 12.888  0.863   1.00 48.10 ? 141 GLU A CG    1 
ATOM   1097 C  CD    . GLU A 1 131 ? -16.910 13.069  0.636   1.00 52.36 ? 141 GLU A CD    1 
ATOM   1098 O  OE1   . GLU A 1 131 ? -17.325 14.162  0.205   1.00 51.56 ? 141 GLU A OE1   1 
ATOM   1099 O  OE2   . GLU A 1 131 ? -17.675 12.118  0.902   1.00 58.70 ? 141 GLU A OE2   1 
ATOM   1100 N  N     . GLY A 1 132 ? -12.147 13.888  -2.186  1.00 34.66 ? 142 GLY A N     1 
ATOM   1101 C  CA    . GLY A 1 132 ? -11.417 13.800  -3.438  1.00 34.83 ? 142 GLY A CA    1 
ATOM   1102 C  C     . GLY A 1 132 ? -9.977  13.372  -3.237  1.00 30.99 ? 142 GLY A C     1 
ATOM   1103 O  O     . GLY A 1 132 ? -9.439  12.584  -4.025  1.00 30.79 ? 142 GLY A O     1 
ATOM   1104 N  N     . GLN A 1 133 ? -9.334  13.876  -2.180  1.00 36.80 ? 143 GLN A N     1 
ATOM   1105 C  CA    . GLN A 1 133 ? -7.955  13.485  -1.887  1.00 32.99 ? 143 GLN A CA    1 
ATOM   1106 C  C     . GLN A 1 133 ? -7.873  12.009  -1.527  1.00 40.75 ? 143 GLN A C     1 
ATOM   1107 O  O     . GLN A 1 133 ? -6.918  11.317  -1.908  1.00 33.41 ? 143 GLN A O     1 
ATOM   1108 C  CB    . GLN A 1 133 ? -7.405  14.338  -0.741  1.00 45.09 ? 143 GLN A CB    1 
ATOM   1109 C  CG    . GLN A 1 133 ? -7.240  15.824  -1.098  1.00 45.14 ? 143 GLN A CG    1 
ATOM   1110 C  CD    . GLN A 1 133 ? -7.384  16.771  0.097   1.00 57.81 ? 143 GLN A CD    1 
ATOM   1111 O  OE1   . GLN A 1 133 ? -7.741  16.355  1.203   1.00 55.78 ? 143 GLN A OE1   1 
ATOM   1112 N  NE2   . GLN A 1 133 ? -7.102  18.058  -0.130  1.00 50.42 ? 143 GLN A NE2   1 
ATOM   1113 N  N     . GLN A 1 134 ? -8.872  11.514  -0.792  1.00 36.87 ? 144 GLN A N     1 
ATOM   1114 C  CA    . GLN A 1 134 ? -8.926  10.100  -0.451  1.00 38.28 ? 144 GLN A CA    1 
ATOM   1115 C  C     . GLN A 1 134 ? -9.068  9.237   -1.698  1.00 36.72 ? 144 GLN A C     1 
ATOM   1116 O  O     . GLN A 1 134 ? -8.364  8.233   -1.847  1.00 40.09 ? 144 GLN A O     1 
ATOM   1117 C  CB    . GLN A 1 134 ? -10.077 9.839   0.520   1.00 43.69 ? 144 GLN A CB    1 
ATOM   1118 C  CG    . GLN A 1 134 ? -10.325 8.357   0.775   1.00 55.84 ? 144 GLN A CG    1 
ATOM   1119 C  CD    . GLN A 1 134 ? -11.545 8.109   1.644   1.00 63.88 ? 144 GLN A CD    1 
ATOM   1120 O  OE1   . GLN A 1 134 ? -12.267 9.044   2.009   1.00 59.74 ? 144 GLN A OE1   1 
ATOM   1121 N  NE2   . GLN A 1 134 ? -11.786 6.840   1.974   1.00 66.64 ? 144 GLN A NE2   1 
ATOM   1122 N  N     . LEU A 1 135 ? -9.978  9.610   -2.608  1.00 36.94 ? 145 LEU A N     1 
ATOM   1123 C  CA    . LEU A 1 135 ? -10.127 8.839   -3.840  1.00 31.75 ? 145 LEU A CA    1 
ATOM   1124 C  C     . LEU A 1 135 ? -8.837  8.842   -4.652  1.00 30.29 ? 145 LEU A C     1 
ATOM   1125 O  O     . LEU A 1 135 ? -8.431  7.804   -5.199  1.00 33.05 ? 145 LEU A O     1 
ATOM   1126 C  CB    . LEU A 1 135 ? -11.289 9.368   -4.678  1.00 34.10 ? 145 LEU A CB    1 
ATOM   1127 C  CG    . LEU A 1 135 ? -11.516 8.635   -6.007  1.00 30.01 ? 145 LEU A CG    1 
ATOM   1128 C  CD1   . LEU A 1 135 ? -11.793 7.163   -5.769  1.00 39.13 ? 145 LEU A CD1   1 
ATOM   1129 C  CD2   . LEU A 1 135 ? -12.645 9.278   -6.829  1.00 33.65 ? 145 LEU A CD2   1 
ATOM   1130 N  N     . ALA A 1 136 ? -8.174  10.000  -4.748  1.00 29.41 ? 146 ALA A N     1 
ATOM   1131 C  CA    . ALA A 1 136 ? -6.893  10.033  -5.454  1.00 28.69 ? 146 ALA A CA    1 
ATOM   1132 C  C     . ALA A 1 136 ? -5.891  9.053   -4.845  1.00 30.59 ? 146 ALA A C     1 
ATOM   1133 O  O     . ALA A 1 136 ? -5.182  8.348   -5.578  1.00 31.08 ? 146 ALA A O     1 
ATOM   1134 C  CB    . ALA A 1 136 ? -6.332  11.462  -5.467  1.00 27.18 ? 146 ALA A CB    1 
ATOM   1135 N  N     . ARG A 1 137 ? -5.802  8.997   -3.513  1.00 35.65 ? 147 ARG A N     1 
ATOM   1136 C  CA    . ARG A 1 137 ? -4.906  8.021   -2.890  1.00 36.54 ? 147 ARG A CA    1 
ATOM   1137 C  C     . ARG A 1 137 ? -5.309  6.600   -3.265  1.00 34.28 ? 147 ARG A C     1 
ATOM   1138 O  O     . ARG A 1 137 ? -4.450  5.757   -3.543  1.00 33.55 ? 147 ARG A O     1 
ATOM   1139 C  CB    . ARG A 1 137 ? -4.883  8.163   -1.366  1.00 39.37 ? 147 ARG A CB    1 
ATOM   1140 C  CG    . ARG A 1 137 ? -4.470  9.517   -0.843  1.00 50.52 ? 147 ARG A CG    1 
ATOM   1141 C  CD    . ARG A 1 137 ? -4.631  9.569   0.681   1.00 56.33 ? 147 ARG A CD    1 
ATOM   1142 N  NE    . ARG A 1 137 ? -5.187  10.839  1.140   1.00 51.38 ? 147 ARG A NE    1 
ATOM   1143 C  CZ    . ARG A 1 137 ? -6.289  10.961  1.867   1.00 41.61 ? 147 ARG A CZ    1 
ATOM   1144 N  NH1   . ARG A 1 137 ? -6.957  9.900   2.296   1.00 51.01 ? 147 ARG A NH1   1 
ATOM   1145 N  NH2   . ARG A 1 137 ? -6.731  12.181  2.178   1.00 60.07 ? 147 ARG A NH2   1 
ATOM   1146 N  N     . GLN A 1 138 ? -6.616  6.316   -3.283  1.00 35.55 ? 148 GLN A N     1 
ATOM   1147 C  CA    . GLN A 1 138 ? -7.069  4.970   -3.647  1.00 35.60 ? 148 GLN A CA    1 
ATOM   1148 C  C     . GLN A 1 138 ? -6.664  4.613   -5.074  1.00 36.99 ? 148 GLN A C     1 
ATOM   1149 O  O     . GLN A 1 138 ? -6.309  3.463   -5.357  1.00 37.90 ? 148 GLN A O     1 
ATOM   1150 C  CB    . GLN A 1 138 ? -8.580  4.851   -3.472  1.00 36.63 ? 148 GLN A CB    1 
ATOM   1151 C  CG    . GLN A 1 138 ? -9.089  5.179   -2.082  1.00 43.69 ? 148 GLN A CG    1 
ATOM   1152 C  CD    . GLN A 1 138 ? -10.584 4.948   -1.957  1.00 60.19 ? 148 GLN A CD    1 
ATOM   1153 O  OE1   . GLN A 1 138 ? -11.312 5.761   -1.375  1.00 59.20 ? 148 GLN A OE1   1 
ATOM   1154 N  NE2   . GLN A 1 138 ? -11.052 3.830   -2.508  1.00 63.72 ? 148 GLN A NE2   1 
ATOM   1155 N  N     . LEU A 1 139 ? -6.682  5.592   -5.982  1.00 32.36 ? 149 LEU A N     1 
ATOM   1156 C  CA    . LEU A 1 139 ? -6.355  5.384   -7.386  1.00 26.74 ? 149 LEU A CA    1 
ATOM   1157 C  C     . LEU A 1 139 ? -4.865  5.563   -7.676  1.00 26.63 ? 149 LEU A C     1 
ATOM   1158 O  O     . LEU A 1 139 ? -4.463  5.499   -8.844  1.00 31.18 ? 149 LEU A O     1 
ATOM   1159 C  CB    . LEU A 1 139 ? -7.176  6.363   -8.256  1.00 27.23 ? 149 LEU A CB    1 
ATOM   1160 C  CG    . LEU A 1 139 ? -8.701  6.248   -8.105  1.00 27.76 ? 149 LEU A CG    1 
ATOM   1161 C  CD1   . LEU A 1 139 ? -9.428  7.264   -9.024  1.00 30.19 ? 149 LEU A CD1   1 
ATOM   1162 C  CD2   . LEU A 1 139 ? -9.220  4.806   -8.310  1.00 31.64 ? 149 LEU A CD2   1 
ATOM   1163 N  N     . LYS A 1 140 ? -4.055  5.850   -6.649  1.00 28.87 ? 150 LYS A N     1 
ATOM   1164 C  CA    . LYS A 1 140 ? -2.598  6.038   -6.791  1.00 34.16 ? 150 LYS A CA    1 
ATOM   1165 C  C     . LYS A 1 140 ? -2.245  7.212   -7.711  1.00 28.35 ? 150 LYS A C     1 
ATOM   1166 O  O     . LYS A 1 140 ? -1.301  7.141   -8.507  1.00 30.50 ? 150 LYS A O     1 
ATOM   1167 C  CB    . LYS A 1 140 ? -1.888  4.747   -7.232  1.00 37.39 ? 150 LYS A CB    1 
ATOM   1168 C  CG    . LYS A 1 140 ? -2.169  3.519   -6.350  1.00 50.27 ? 150 LYS A CG    1 
ATOM   1169 C  CD    . LYS A 1 140 ? -1.471  2.249   -6.867  1.00 49.99 ? 150 LYS A CD    1 
ATOM   1170 C  CE    . LYS A 1 140 ? -1.750  1.055   -5.966  1.00 48.57 ? 150 LYS A CE    1 
ATOM   1171 N  NZ    . LYS A 1 140 ? -1.084  1.186   -4.628  1.00 56.60 ? 150 LYS A NZ    1 
ATOM   1172 N  N     . VAL A 1 141 ? -2.998  8.320   -7.611  1.00 26.90 ? 151 VAL A N     1 
ATOM   1173 C  CA    . VAL A 1 141 ? -2.780  9.508   -8.429  1.00 27.34 ? 151 VAL A CA    1 
ATOM   1174 C  C     . VAL A 1 141 ? -2.839  10.733  -7.522  1.00 27.40 ? 151 VAL A C     1 
ATOM   1175 O  O     . VAL A 1 141 ? -3.157  10.642  -6.336  1.00 33.00 ? 151 VAL A O     1 
ATOM   1176 C  CB    . VAL A 1 141 ? -3.802  9.663   -9.588  1.00 26.23 ? 151 VAL A CB    1 
ATOM   1177 C  CG1   . VAL A 1 141 ? -3.746  8.444   -10.526 1.00 28.39 ? 151 VAL A CG1   1 
ATOM   1178 C  CG2   . VAL A 1 141 ? -5.198  9.849   -9.015  1.00 27.18 ? 151 VAL A CG2   1 
ATOM   1179 N  N     . THR A 1 142 ? -2.481  11.879  -8.087  1.00 25.30 ? 152 THR A N     1 
ATOM   1180 C  CA    . THR A 1 142 ? -2.594  13.132  -7.364  1.00 27.18 ? 152 THR A CA    1 
ATOM   1181 C  C     . THR A 1 142 ? -3.959  13.744  -7.649  1.00 29.38 ? 152 THR A C     1 
ATOM   1182 O  O     . THR A 1 142 ? -4.647  13.370  -8.607  1.00 25.28 ? 152 THR A O     1 
ATOM   1183 C  CB    . THR A 1 142 ? -1.455  14.091  -7.726  1.00 32.75 ? 152 THR A CB    1 
ATOM   1184 O  OG1   . THR A 1 142 ? -1.456  14.351  -9.120  1.00 35.56 ? 152 THR A OG1   1 
ATOM   1185 C  CG2   . THR A 1 142 ? -0.113  13.459  -7.390  1.00 38.81 ? 152 THR A CG2   1 
ATOM   1186 N  N     . TYR A 1 143 ? -4.371  14.641  -6.751  1.00 26.87 ? 153 TYR A N     1 
ATOM   1187 C  CA    . TYR A 1 143 ? -5.650  15.330  -6.808  1.00 24.96 ? 153 TYR A CA    1 
ATOM   1188 C  C     . TYR A 1 143 ? -5.394  16.818  -6.958  1.00 27.88 ? 153 TYR A C     1 
ATOM   1189 O  O     . TYR A 1 143 ? -4.480  17.374  -6.341  1.00 29.67 ? 153 TYR A O     1 
ATOM   1190 C  CB    . TYR A 1 143 ? -6.417  15.123  -5.507  1.00 28.92 ? 153 TYR A CB    1 
ATOM   1191 C  CG    . TYR A 1 143 ? -7.789  15.769  -5.437  1.00 27.15 ? 153 TYR A CG    1 
ATOM   1192 C  CD1   . TYR A 1 143 ? -8.756  15.507  -6.403  1.00 26.57 ? 153 TYR A CD1   1 
ATOM   1193 C  CD2   . TYR A 1 143 ? -8.125  16.604  -4.370  1.00 32.15 ? 153 TYR A CD2   1 
ATOM   1194 C  CE1   . TYR A 1 143 ? -10.034 16.073  -6.321  1.00 29.34 ? 153 TYR A CE1   1 
ATOM   1195 C  CE2   . TYR A 1 143 ? -9.390  17.189  -4.288  1.00 32.71 ? 153 TYR A CE2   1 
ATOM   1196 C  CZ    . TYR A 1 143 ? -10.336 16.916  -5.273  1.00 31.38 ? 153 TYR A CZ    1 
ATOM   1197 O  OH    . TYR A 1 143 ? -11.602 17.467  -5.201  1.00 31.96 ? 153 TYR A OH    1 
ATOM   1198 N  N     . MET A 1 144 ? -6.189  17.453  -7.799  1.00 21.31 ? 154 MET A N     1 
ATOM   1199 C  CA    . MET A 1 144 ? -6.200  18.905  -7.893  1.00 20.84 ? 154 MET A CA    1 
ATOM   1200 C  C     . MET A 1 144 ? -7.647  19.343  -8.062  1.00 24.95 ? 154 MET A C     1 
ATOM   1201 O  O     . MET A 1 144 ? -8.377  18.754  -8.855  1.00 24.03 ? 154 MET A O     1 
ATOM   1202 C  CB    . MET A 1 144 ? -5.373  19.321  -9.120  1.00 21.66 ? 154 MET A CB    1 
ATOM   1203 C  CG    . MET A 1 144 ? -5.077  20.821  -9.222  1.00 30.32 ? 154 MET A CG    1 
ATOM   1204 S  SD    . MET A 1 144 ? -4.096  21.200  -10.704 1.00 30.03 ? 154 MET A SD    1 
ATOM   1205 C  CE    . MET A 1 144 ? -2.478  20.561  -10.250 1.00 40.26 ? 154 MET A CE    1 
ATOM   1206 N  N     . GLU A 1 145 ? -8.043  20.415  -7.376  1.00 25.01 ? 155 GLU A N     1 
ATOM   1207 C  CA    . GLU A 1 145 ? -9.347  21.017  -7.617  1.00 28.15 ? 155 GLU A CA    1 
ATOM   1208 C  C     . GLU A 1 145 ? -9.166  22.149  -8.609  1.00 25.52 ? 155 GLU A C     1 
ATOM   1209 O  O     . GLU A 1 145 ? -8.082  22.722  -8.729  1.00 25.73 ? 155 GLU A O     1 
ATOM   1210 C  CB    . GLU A 1 145 ? -9.983  21.526  -6.332  1.00 29.80 ? 155 GLU A CB    1 
ATOM   1211 C  CG    . GLU A 1 145 ? -10.130 20.431  -5.303  1.00 35.99 ? 155 GLU A CG    1 
ATOM   1212 C  CD    . GLU A 1 145 ? -11.247 20.679  -4.317  1.00 35.07 ? 155 GLU A CD    1 
ATOM   1213 O  OE1   . GLU A 1 145 ? -11.513 21.835  -3.954  1.00 38.22 ? 155 GLU A OE1   1 
ATOM   1214 O  OE2   . GLU A 1 145 ? -11.856 19.696  -3.877  1.00 33.90 ? 155 GLU A OE2   1 
ATOM   1215 N  N     . ALA A 1 146 ? -10.198 22.359  -9.408  1.00 22.95 ? 156 ALA A N     1 
ATOM   1216 C  CA    . ALA A 1 146 ? -10.157 23.300  -10.509 1.00 24.63 ? 156 ALA A CA    1 
ATOM   1217 C  C     . ALA A 1 146 ? -11.510 23.981  -10.633 1.00 25.46 ? 156 ALA A C     1 
ATOM   1218 O  O     . ALA A 1 146 ? -12.532 23.555  -10.067 1.00 23.93 ? 156 ALA A O     1 
ATOM   1219 C  CB    . ALA A 1 146 ? -9.794  22.620  -11.830 1.00 26.38 ? 156 ALA A CB    1 
ATOM   1220 N  N     . SER A 1 147 ? -11.497 25.111  -11.335 1.00 26.47 ? 157 SER A N     1 
ATOM   1221 C  CA    . SER A 1 147 ? -12.738 25.731  -11.763 1.00 23.63 ? 157 SER A CA    1 
ATOM   1222 C  C     . SER A 1 147 ? -12.547 26.229  -13.180 1.00 26.28 ? 157 SER A C     1 
ATOM   1223 O  O     . SER A 1 147 ? -11.703 27.101  -13.430 1.00 28.03 ? 157 SER A O     1 
ATOM   1224 C  CB    . SER A 1 147 ? -13.150 26.902  -10.871 1.00 27.68 ? 157 SER A CB    1 
ATOM   1225 O  OG    . SER A 1 147 ? -14.304 27.537  -11.444 1.00 27.61 ? 157 SER A OG    1 
ATOM   1226 N  N     . ALA A 1 148 ? -13.357 25.708  -14.102 1.00 24.61 ? 158 ALA A N     1 
ATOM   1227 C  CA    . ALA A 1 148 ? -13.344 26.281  -15.437 1.00 24.66 ? 158 ALA A CA    1 
ATOM   1228 C  C     . ALA A 1 148 ? -13.941 27.675  -15.435 1.00 24.73 ? 158 ALA A C     1 
ATOM   1229 O  O     . ALA A 1 148 ? -13.546 28.501  -16.261 1.00 27.17 ? 158 ALA A O     1 
ATOM   1230 C  CB    . ALA A 1 148 ? -14.043 25.375  -16.456 1.00 22.58 ? 158 ALA A CB    1 
ATOM   1231 N  N     . LYS A 1 149 ? -14.906 27.941  -14.543 1.00 23.48 ? 159 LYS A N     1 
ATOM   1232 C  CA    . LYS A 1 149 ? -15.583 29.235  -14.565 1.00 22.87 ? 159 LYS A CA    1 
ATOM   1233 C  C     . LYS A 1 149 ? -14.626 30.352  -14.211 1.00 35.16 ? 159 LYS A C     1 
ATOM   1234 O  O     . LYS A 1 149 ? -14.546 31.352  -14.930 1.00 30.37 ? 159 LYS A O     1 
ATOM   1235 C  CB    . LYS A 1 149 ? -16.775 29.233  -13.612 1.00 29.01 ? 159 LYS A CB    1 
ATOM   1236 C  CG    . LYS A 1 149 ? -17.588 30.515  -13.662 1.00 28.46 ? 159 LYS A CG    1 
ATOM   1237 C  CD    . LYS A 1 149 ? -18.937 30.254  -13.002 1.00 29.97 ? 159 LYS A CD    1 
ATOM   1238 C  CE    . LYS A 1 149 ? -19.676 31.562  -12.726 1.00 42.90 ? 159 LYS A CE    1 
ATOM   1239 N  NZ    . LYS A 1 149 ? -20.177 32.164  -13.984 1.00 52.95 ? 159 LYS A NZ    1 
ATOM   1240 N  N     . ILE A 1 150 ? -13.875 30.196  -13.120 1.00 31.08 ? 160 ILE A N     1 
ATOM   1241 C  CA    . ILE A 1 150 ? -12.960 31.258  -12.682 1.00 30.07 ? 160 ILE A CA    1 
ATOM   1242 C  C     . ILE A 1 150 ? -11.528 30.999  -13.121 1.00 30.73 ? 160 ILE A C     1 
ATOM   1243 O  O     . ILE A 1 150 ? -10.617 31.725  -12.703 1.00 28.99 ? 160 ILE A O     1 
ATOM   1244 C  CB    . ILE A 1 150 ? -13.069 31.548  -11.177 1.00 31.60 ? 160 ILE A CB    1 
ATOM   1245 C  CG1   . ILE A 1 150 ? -12.603 30.361  -10.339 1.00 31.08 ? 160 ILE A CG1   1 
ATOM   1246 C  CG2   . ILE A 1 150 ? -14.525 31.916  -10.823 1.00 35.75 ? 160 ILE A CG2   1 
ATOM   1247 C  CD1   . ILE A 1 150 ? -12.606 30.643  -8.861  1.00 37.55 ? 160 ILE A CD1   1 
ATOM   1248 N  N     . ARG A 1 151 ? -11.306 29.973  -13.956 1.00 26.26 ? 161 ARG A N     1 
ATOM   1249 C  CA    . ARG A 1 151 ? -9.979  29.633  -14.497 1.00 25.15 ? 161 ARG A CA    1 
ATOM   1250 C  C     . ARG A 1 151 ? -8.965  29.328  -13.388 1.00 30.64 ? 161 ARG A C     1 
ATOM   1251 O  O     . ARG A 1 151 ? -7.818  29.804  -13.386 1.00 31.33 ? 161 ARG A O     1 
ATOM   1252 C  CB    . ARG A 1 151 ? -9.475  30.693  -15.496 1.00 28.08 ? 161 ARG A CB    1 
ATOM   1253 C  CG    . ARG A 1 151 ? -8.659  30.037  -16.654 1.00 29.60 ? 161 ARG A CG    1 
ATOM   1254 C  CD    . ARG A 1 151 ? -8.122  31.036  -17.739 1.00 32.18 ? 161 ARG A CD    1 
ATOM   1255 N  NE    . ARG A 1 151 ? -7.492  30.338  -18.858 1.00 27.77 ? 161 ARG A NE    1 
ATOM   1256 C  CZ    . ARG A 1 151 ? -6.319  29.719  -18.759 1.00 28.62 ? 161 ARG A CZ    1 
ATOM   1257 N  NH1   . ARG A 1 151 ? -5.638  29.731  -17.632 1.00 27.73 ? 161 ARG A NH1   1 
ATOM   1258 N  NH2   . ARG A 1 151 ? -5.819  29.071  -19.817 1.00 28.12 ? 161 ARG A NH2   1 
ATOM   1259 N  N     . MET A 1 152 ? -9.403  28.536  -12.422 1.00 27.04 ? 162 MET A N     1 
ATOM   1260 C  CA    . MET A 1 152 ? -8.553  28.142  -11.318 1.00 26.61 ? 162 MET A CA    1 
ATOM   1261 C  C     . MET A 1 152 ? -7.925  26.803  -11.671 1.00 23.43 ? 162 MET A C     1 
ATOM   1262 O  O     . MET A 1 152 ? -8.631  25.825  -11.950 1.00 24.79 ? 162 MET A O     1 
ATOM   1263 C  CB    . MET A 1 152 ? -9.355  27.985  -10.038 1.00 30.98 ? 162 MET A CB    1 
ATOM   1264 C  CG    . MET A 1 152 ? -8.475  27.540  -8.889  1.00 32.97 ? 162 MET A CG    1 
ATOM   1265 S  SD    . MET A 1 152 ? -9.335  27.396  -7.312  1.00 41.72 ? 162 MET A SD    1 
ATOM   1266 C  CE    . MET A 1 152 ? -10.001 25.778  -7.504  1.00 31.08 ? 162 MET A CE    1 
ATOM   1267 N  N     . ASN A 1 153 ? -6.593  26.750  -11.665 1.00 25.04 ? 163 ASN A N     1 
ATOM   1268 C  CA    . ASN A 1 153 ? -5.859  25.498  -11.856 1.00 26.27 ? 163 ASN A CA    1 
ATOM   1269 C  C     . ASN A 1 153 ? -6.112  24.847  -13.207 1.00 20.31 ? 163 ASN A C     1 
ATOM   1270 O  O     . ASN A 1 153 ? -5.909  23.621  -13.342 1.00 20.93 ? 163 ASN A O     1 
ATOM   1271 C  CB    . ASN A 1 153 ? -6.125  24.488  -10.738 1.00 26.09 ? 163 ASN A CB    1 
ATOM   1272 C  CG    . ASN A 1 153 ? -5.392  24.818  -9.481  1.00 33.82 ? 163 ASN A CG    1 
ATOM   1273 O  OD1   . ASN A 1 153 ? -4.346  25.458  -9.518  1.00 36.52 ? 163 ASN A OD1   1 
ATOM   1274 N  ND2   . ASN A 1 153 ? -5.941  24.405  -8.345  1.00 33.37 ? 163 ASN A ND2   1 
ATOM   1275 N  N     . VAL A 1 154 ? -6.508  25.631  -14.212 1.00 19.60 ? 164 VAL A N     1 
ATOM   1276 C  CA    . VAL A 1 154 ? -6.695  25.106  -15.568 1.00 18.26 ? 164 VAL A CA    1 
ATOM   1277 C  C     . VAL A 1 154 ? -5.345  24.773  -16.224 1.00 20.04 ? 164 VAL A C     1 
ATOM   1278 O  O     . VAL A 1 154 ? -5.069  23.619  -16.558 1.00 19.31 ? 164 VAL A O     1 
ATOM   1279 C  CB    . VAL A 1 154 ? -7.552  26.071  -16.416 1.00 21.19 ? 164 VAL A CB    1 
ATOM   1280 C  CG1   . VAL A 1 154 ? -7.559  25.631  -17.879 1.00 21.70 ? 164 VAL A CG1   1 
ATOM   1281 C  CG2   . VAL A 1 154 ? -9.033  26.279  -15.829 1.00 21.55 ? 164 VAL A CG2   1 
ATOM   1282 N  N     . ASP A 1 155 ? -4.488  25.774  -16.420 1.00 21.00 ? 165 ASP A N     1 
ATOM   1283 C  CA    . ASP A 1 155 ? -3.176  25.469  -16.982 1.00 18.15 ? 165 ASP A CA    1 
ATOM   1284 C  C     . ASP A 1 155 ? -2.433  24.467  -16.097 1.00 20.49 ? 165 ASP A C     1 
ATOM   1285 O  O     . ASP A 1 155 ? -1.735  23.576  -16.603 1.00 20.45 ? 165 ASP A O     1 
ATOM   1286 C  CB    . ASP A 1 155 ? -2.344  26.758  -17.069 1.00 17.94 ? 165 ASP A CB    1 
ATOM   1287 C  CG    . ASP A 1 155 ? -2.904  27.797  -18.044 1.00 23.40 ? 165 ASP A CG    1 
ATOM   1288 O  OD1   . ASP A 1 155 ? -3.886  27.542  -18.776 1.00 23.45 ? 165 ASP A OD1   1 
ATOM   1289 O  OD2   . ASP A 1 155 ? -2.322  28.886  -18.072 1.00 22.48 ? 165 ASP A OD2   1 
ATOM   1290 N  N     . GLN A 1 156 ? -2.530  24.639  -14.765 1.00 19.27 ? 166 GLN A N     1 
ATOM   1291 C  CA    . GLN A 1 156 ? -1.798  23.777  -13.834 1.00 18.44 ? 166 GLN A CA    1 
ATOM   1292 C  C     . GLN A 1 156 ? -2.177  22.307  -13.975 1.00 18.31 ? 166 GLN A C     1 
ATOM   1293 O  O     . GLN A 1 156 ? -1.317  21.422  -13.811 1.00 21.97 ? 166 GLN A O     1 
ATOM   1294 C  CB    . GLN A 1 156 ? -1.992  24.282  -12.403 1.00 21.51 ? 166 GLN A CB    1 
ATOM   1295 C  CG    . GLN A 1 156 ? -1.331  25.696  -12.136 1.00 21.13 ? 166 GLN A CG    1 
ATOM   1296 C  CD    . GLN A 1 156 ? -2.282  26.874  -12.361 1.00 24.11 ? 166 GLN A CD    1 
ATOM   1297 O  OE1   . GLN A 1 156 ? -3.237  26.791  -13.150 1.00 19.93 ? 166 GLN A OE1   1 
ATOM   1298 N  NE2   . GLN A 1 156 ? -2.012  27.976  -11.672 1.00 26.44 ? 166 GLN A NE2   1 
ATOM   1299 N  N     . ALA A 1 157 ? -3.461  22.029  -14.221 1.00 17.40 ? 167 ALA A N     1 
ATOM   1300 C  CA    . ALA A 1 157 ? -3.869  20.636  -14.339 1.00 17.24 ? 167 ALA A CA    1 
ATOM   1301 C  C     . ALA A 1 157 ? -3.202  19.963  -15.527 1.00 18.75 ? 167 ALA A C     1 
ATOM   1302 O  O     . ALA A 1 157 ? -2.708  18.828  -15.425 1.00 17.90 ? 167 ALA A O     1 
ATOM   1303 C  CB    . ALA A 1 157 ? -5.397  20.631  -14.501 1.00 17.21 ? 167 ALA A CB    1 
ATOM   1304 N  N     . PHE A 1 158 ? -3.209  20.636  -16.673 1.00 17.97 ? 168 PHE A N     1 
ATOM   1305 C  CA    . PHE A 1 158 ? -2.579  20.123  -17.869 1.00 17.49 ? 168 PHE A CA    1 
ATOM   1306 C  C     . PHE A 1 158 ? -1.049  20.056  -17.723 1.00 18.53 ? 168 PHE A C     1 
ATOM   1307 O  O     . PHE A 1 158 ? -0.430  19.055  -18.119 1.00 19.14 ? 168 PHE A O     1 
ATOM   1308 C  CB    . PHE A 1 158 ? -3.000  20.956  -19.079 1.00 19.06 ? 168 PHE A CB    1 
ATOM   1309 C  CG    . PHE A 1 158 ? -4.418  20.719  -19.495 1.00 19.90 ? 168 PHE A CG    1 
ATOM   1310 C  CD1   . PHE A 1 158 ? -4.729  19.578  -20.249 1.00 18.63 ? 168 PHE A CD1   1 
ATOM   1311 C  CD2   . PHE A 1 158 ? -5.439  21.586  -19.119 1.00 21.86 ? 168 PHE A CD2   1 
ATOM   1312 C  CE1   . PHE A 1 158 ? -6.031  19.335  -20.649 1.00 21.86 ? 168 PHE A CE1   1 
ATOM   1313 C  CE2   . PHE A 1 158 ? -6.756  21.332  -19.510 1.00 19.68 ? 168 PHE A CE2   1 
ATOM   1314 C  CZ    . PHE A 1 158 ? -7.058  20.184  -20.274 1.00 21.58 ? 168 PHE A CZ    1 
ATOM   1315 N  N     . HIS A 1 159 ? -0.420  21.094  -17.164 1.00 19.08 ? 169 HIS A N     1 
ATOM   1316 C  CA    . HIS A 1 159 ? 1.027   21.041  -16.934 1.00 17.71 ? 169 HIS A CA    1 
ATOM   1317 C  C     . HIS A 1 159 ? 1.381   19.861  -16.043 1.00 22.88 ? 169 HIS A C     1 
ATOM   1318 O  O     . HIS A 1 159 ? 2.380   19.165  -16.285 1.00 20.34 ? 169 HIS A O     1 
ATOM   1319 C  CB    . HIS A 1 159 ? 1.491   22.335  -16.251 1.00 21.51 ? 169 HIS A CB    1 
ATOM   1320 C  CG    . HIS A 1 159 ? 1.524   23.535  -17.141 1.00 23.84 ? 169 HIS A CG    1 
ATOM   1321 N  ND1   . HIS A 1 159 ? 2.067   24.735  -16.727 1.00 29.64 ? 169 HIS A ND1   1 
ATOM   1322 C  CD2   . HIS A 1 159 ? 1.063   23.747  -18.398 1.00 20.96 ? 169 HIS A CD2   1 
ATOM   1323 C  CE1   . HIS A 1 159 ? 1.962   25.624  -17.697 1.00 27.46 ? 169 HIS A CE1   1 
ATOM   1324 N  NE2   . HIS A 1 159 ? 1.352   25.059  -18.720 1.00 20.96 ? 169 HIS A NE2   1 
ATOM   1325 N  N     . GLU A 1 160 ? 0.613   19.669  -14.963 1.00 18.03 ? 170 GLU A N     1 
ATOM   1326 C  CA    . GLU A 1 160 ? 0.949   18.602  -14.024 1.00 21.23 ? 170 GLU A CA    1 
ATOM   1327 C  C     . GLU A 1 160 ? 0.818   17.235  -14.675 1.00 22.00 ? 170 GLU A C     1 
ATOM   1328 O  O     . GLU A 1 160 ? 1.639   16.350  -14.401 1.00 21.07 ? 170 GLU A O     1 
ATOM   1329 C  CB    . GLU A 1 160 ? 0.096   18.711  -12.759 1.00 25.69 ? 170 GLU A CB    1 
ATOM   1330 C  CG    . GLU A 1 160 ? 0.502   17.772  -11.612 1.00 25.95 ? 170 GLU A CG    1 
ATOM   1331 C  CD    . GLU A 1 160 ? 1.926   17.960  -11.134 1.00 37.05 ? 170 GLU A CD    1 
ATOM   1332 O  OE1   . GLU A 1 160 ? 2.391   19.125  -10.995 1.00 34.35 ? 170 GLU A OE1   1 
ATOM   1333 O  OE2   . GLU A 1 160 ? 2.567   16.905  -10.904 1.00 47.61 ? 170 GLU A OE2   1 
ATOM   1334 N  N     . LEU A 1 161 ? -0.198  17.046  -15.543 1.00 18.59 ? 171 LEU A N     1 
ATOM   1335 C  CA    . LEU A 1 161 ? -0.290  15.750  -16.235 1.00 14.64 ? 171 LEU A CA    1 
ATOM   1336 C  C     . LEU A 1 161 ? 0.968   15.473  -17.075 1.00 18.54 ? 171 LEU A C     1 
ATOM   1337 O  O     . LEU A 1 161 ? 1.458   14.332  -17.117 1.00 18.21 ? 171 LEU A O     1 
ATOM   1338 C  CB    . LEU A 1 161 ? -1.587  15.665  -17.041 1.00 16.24 ? 171 LEU A CB    1 
ATOM   1339 C  CG    . LEU A 1 161 ? -1.783  14.352  -17.840 1.00 15.18 ? 171 LEU A CG    1 
ATOM   1340 C  CD1   . LEU A 1 161 ? -1.745  13.127  -16.946 1.00 20.49 ? 171 LEU A CD1   1 
ATOM   1341 C  CD2   . LEU A 1 161 ? -3.137  14.491  -18.577 1.00 15.42 ? 171 LEU A CD2   1 
ATOM   1342 N  N     . VAL A 1 162 ? 1.465   16.482  -17.800 1.00 19.12 ? 172 VAL A N     1 
ATOM   1343 C  CA    . VAL A 1 162 ? 2.720   16.354  -18.530 1.00 16.15 ? 172 VAL A CA    1 
ATOM   1344 C  C     . VAL A 1 162 ? 3.863   15.963  -17.590 1.00 20.13 ? 172 VAL A C     1 
ATOM   1345 O  O     . VAL A 1 162 ? 4.678   15.078  -17.913 1.00 19.40 ? 172 VAL A O     1 
ATOM   1346 C  CB    . VAL A 1 162 ? 3.028   17.657  -19.306 1.00 15.41 ? 172 VAL A CB    1 
ATOM   1347 C  CG1   . VAL A 1 162 ? 4.424   17.549  -19.909 1.00 19.55 ? 172 VAL A CG1   1 
ATOM   1348 C  CG2   . VAL A 1 162 ? 1.954   17.909  -20.395 1.00 18.39 ? 172 VAL A CG2   1 
ATOM   1349 N  N     . ARG A 1 163 ? 3.934   16.593  -16.409 1.00 20.58 ? 173 ARG A N     1 
ATOM   1350 C  CA    . ARG A 1 163 ? 5.008   16.225  -15.481 1.00 18.80 ? 173 ARG A CA    1 
ATOM   1351 C  C     . ARG A 1 163 ? 4.916   14.746  -15.104 1.00 21.95 ? 173 ARG A C     1 
ATOM   1352 O  O     . ARG A 1 163 ? 5.944   14.064  -15.024 1.00 23.66 ? 173 ARG A O     1 
ATOM   1353 C  CB    . ARG A 1 163 ? 5.010   17.105  -14.229 1.00 25.86 ? 173 ARG A CB    1 
ATOM   1354 C  CG    . ARG A 1 163 ? 5.188   18.604  -14.480 1.00 23.37 ? 173 ARG A CG    1 
ATOM   1355 C  CD    . ARG A 1 163 ? 5.403   19.292  -13.148 1.00 22.71 ? 173 ARG A CD    1 
ATOM   1356 N  NE    . ARG A 1 163 ? 5.554   20.726  -13.370 1.00 22.12 ? 173 ARG A NE    1 
ATOM   1357 C  CZ    . ARG A 1 163 ? 4.552   21.598  -13.445 1.00 23.74 ? 173 ARG A CZ    1 
ATOM   1358 N  NH1   . ARG A 1 163 ? 3.305   21.279  -13.096 1.00 25.88 ? 173 ARG A NH1   1 
ATOM   1359 N  NH2   . ARG A 1 163 ? 4.799   22.826  -13.887 1.00 27.61 ? 173 ARG A NH2   1 
ATOM   1360 N  N     . VAL A 1 164 ? 3.706   14.263  -14.813 1.00 20.27 ? 174 VAL A N     1 
ATOM   1361 C  CA    . VAL A 1 164 ? 3.493   12.848  -14.489 1.00 20.03 ? 174 VAL A CA    1 
ATOM   1362 C  C     . VAL A 1 164 ? 3.929   11.960  -15.640 1.00 22.60 ? 174 VAL A C     1 
ATOM   1363 O  O     . VAL A 1 164 ? 4.562   10.912  -15.415 1.00 22.73 ? 174 VAL A O     1 
ATOM   1364 C  CB    . VAL A 1 164 ? 2.013   12.626  -14.142 1.00 19.47 ? 174 VAL A CB    1 
ATOM   1365 C  CG1   . VAL A 1 164 ? 1.757   11.105  -13.963 1.00 23.51 ? 174 VAL A CG1   1 
ATOM   1366 C  CG2   . VAL A 1 164 ? 1.607   13.351  -12.864 1.00 26.55 ? 174 VAL A CG2   1 
ATOM   1367 N  N     . ILE A 1 165 ? 3.524   12.310  -16.872 1.00 21.19 ? 175 ILE A N     1 
ATOM   1368 C  CA    . ILE A 1 165 ? 3.943   11.526  -18.039 1.00 19.45 ? 175 ILE A CA    1 
ATOM   1369 C  C     . ILE A 1 165 ? 5.460   11.477  -18.130 1.00 19.78 ? 175 ILE A C     1 
ATOM   1370 O  O     . ILE A 1 165 ? 6.048   10.401  -18.343 1.00 23.79 ? 175 ILE A O     1 
ATOM   1371 C  CB    . ILE A 1 165 ? 3.319   12.044  -19.343 1.00 18.65 ? 175 ILE A CB    1 
ATOM   1372 C  CG1   . ILE A 1 165 ? 1.801   11.851  -19.372 1.00 17.98 ? 175 ILE A CG1   1 
ATOM   1373 C  CG2   . ILE A 1 165 ? 3.990   11.365  -20.547 1.00 24.07 ? 175 ILE A CG2   1 
ATOM   1374 C  CD1   . ILE A 1 165 ? 1.206   12.637  -20.535 1.00 19.04 ? 175 ILE A CD1   1 
ATOM   1375 N  N     . ARG A 1 166 ? 6.130   12.617  -17.922 1.00 20.85 ? 176 ARG A N     1 
ATOM   1376 C  CA    . ARG A 1 166 ? 7.596   12.608  -18.033 1.00 19.38 ? 176 ARG A CA    1 
ATOM   1377 C  C     . ARG A 1 166 ? 8.249   11.721  -16.987 1.00 26.74 ? 176 ARG A C     1 
ATOM   1378 O  O     . ARG A 1 166 ? 9.329   11.184  -17.253 1.00 28.63 ? 176 ARG A O     1 
ATOM   1379 C  CB    . ARG A 1 166 ? 8.145   14.047  -17.937 1.00 22.90 ? 176 ARG A CB    1 
ATOM   1380 C  CG    . ARG A 1 166 ? 7.833   14.907  -19.158 1.00 22.28 ? 176 ARG A CG    1 
ATOM   1381 C  CD    . ARG A 1 166 ? 8.012   16.350  -18.867 1.00 22.18 ? 176 ARG A CD    1 
ATOM   1382 N  NE    . ARG A 1 166 ? 7.959   17.172  -20.068 1.00 20.24 ? 176 ARG A NE    1 
ATOM   1383 C  CZ    . ARG A 1 166 ? 7.970   18.496  -20.020 1.00 22.43 ? 176 ARG A CZ    1 
ATOM   1384 N  NH1   . ARG A 1 166 ? 8.101   19.128  -18.867 1.00 21.66 ? 176 ARG A NH1   1 
ATOM   1385 N  NH2   . ARG A 1 166 ? 7.871   19.191  -21.155 1.00 20.43 ? 176 ARG A NH2   1 
ATOM   1386 N  N     . LYS A 1 167 ? 7.651   11.584  -15.791 1.00 26.48 ? 177 LYS A N     1 
ATOM   1387 C  CA    . LYS A 1 167 ? 8.233   10.721  -14.740 1.00 26.81 ? 177 LYS A CA    1 
ATOM   1388 C  C     . LYS A 1 167 ? 8.046   9.223   -15.018 1.00 28.18 ? 177 LYS A C     1 
ATOM   1389 O  O     . LYS A 1 167 ? 8.794   8.383   -14.478 1.00 33.94 ? 177 LYS A O     1 
ATOM   1390 C  CB    . LYS A 1 167 ? 7.627   11.036  -13.373 1.00 31.24 ? 177 LYS A CB    1 
ATOM   1391 C  CG    . LYS A 1 167 ? 8.089   12.347  -12.753 1.00 40.12 ? 177 LYS A CG    1 
ATOM   1392 C  CD    . LYS A 1 167 ? 7.247   12.648  -11.508 1.00 49.65 ? 177 LYS A CD    1 
ATOM   1393 C  CE    . LYS A 1 167 ? 7.692   13.928  -10.812 1.00 54.36 ? 177 LYS A CE    1 
ATOM   1394 N  NZ    . LYS A 1 167 ? 6.945   14.170  -9.542  1.00 56.92 ? 177 LYS A NZ    1 
ATOM   1395 N  N     . PHE A 1 168 ? 7.041   8.887   -15.818 1.00 26.20 ? 178 PHE A N     1 
ATOM   1396 C  CA    A PHE A 1 168 ? 6.724   7.529   -16.242 0.45 26.44 ? 178 PHE A CA    1 
ATOM   1397 C  CA    B PHE A 1 168 ? 6.780   7.512   -16.180 0.55 26.38 ? 178 PHE A CA    1 
ATOM   1398 C  C     . PHE A 1 168 ? 7.746   7.013   -17.250 1.00 37.04 ? 178 PHE A C     1 
ATOM   1399 O  O     . PHE A 1 168 ? 7.852   5.796   -17.443 1.00 49.72 ? 178 PHE A O     1 
ATOM   1400 C  CB    A PHE A 1 168 ? 5.307   7.570   -16.862 0.45 29.18 ? 178 PHE A CB    1 
ATOM   1401 C  CB    B PHE A 1 168 ? 5.327   7.395   -16.643 0.55 30.03 ? 178 PHE A CB    1 
ATOM   1402 C  CG    A PHE A 1 168 ? 4.556   6.243   -16.861 0.45 28.67 ? 178 PHE A CG    1 
ATOM   1403 C  CG    B PHE A 1 168 ? 4.362   6.944   -15.571 0.55 29.69 ? 178 PHE A CG    1 
ATOM   1404 C  CD1   A PHE A 1 168 ? 4.132   5.659   -15.674 0.45 23.80 ? 178 PHE A CD1   1 
ATOM   1405 C  CD1   B PHE A 1 168 ? 3.665   7.860   -14.810 0.55 26.34 ? 178 PHE A CD1   1 
ATOM   1406 C  CD2   A PHE A 1 168 ? 4.204   5.638   -18.060 0.45 25.29 ? 178 PHE A CD2   1 
ATOM   1407 C  CD2   B PHE A 1 168 ? 4.116   5.591   -15.369 0.55 23.46 ? 178 PHE A CD2   1 
ATOM   1408 C  CE1   A PHE A 1 168 ? 3.406   4.465   -15.681 0.45 26.29 ? 178 PHE A CE1   1 
ATOM   1409 C  CE1   B PHE A 1 168 ? 2.738   7.465   -13.858 0.55 18.77 ? 178 PHE A CE1   1 
ATOM   1410 C  CE2   A PHE A 1 168 ? 3.492   4.430   -18.078 0.45 25.34 ? 178 PHE A CE2   1 
ATOM   1411 C  CE2   B PHE A 1 168 ? 3.195   5.162   -14.412 0.55 28.69 ? 178 PHE A CE2   1 
ATOM   1412 C  CZ    A PHE A 1 168 ? 3.091   3.850   -16.886 0.45 26.37 ? 178 PHE A CZ    1 
ATOM   1413 C  CZ    B PHE A 1 168 ? 2.493   6.097   -13.658 0.55 25.45 ? 178 PHE A CZ    1 
ATOM   1414 N  N     . GLN A 1 169 ? 8.481   7.920   -17.897 1.00 47.94 ? 179 GLN A N     1 
ATOM   1415 C  CA    . GLN A 1 169 ? 9.451   7.624   -18.946 1.00 56.36 ? 179 GLN A CA    1 
ATOM   1416 C  C     . GLN A 1 169 ? 10.843  7.406   -18.360 1.00 50.05 ? 179 GLN A C     1 
ATOM   1417 O  O     . GLN A 1 169 ? 11.772  6.996   -19.067 1.00 64.00 ? 179 GLN A O     1 
ATOM   1418 C  CB    . GLN A 1 169 ? 9.503   8.781   -19.956 1.00 57.92 ? 179 GLN A CB    1 
HETATM 1419 P  PG    . GNP B 2 .   ? -20.133 16.042  -21.782 1.00 23.25 ? 201 GNP A PG    1 
HETATM 1420 O  O1G   . GNP B 2 .   ? -21.590 15.792  -22.123 1.00 23.02 ? 201 GNP A O1G   1 
HETATM 1421 O  O2G   . GNP B 2 .   ? -19.372 16.462  -23.021 1.00 22.42 ? 201 GNP A O2G   1 
HETATM 1422 O  O3G   . GNP B 2 .   ? -19.542 14.811  -21.109 1.00 23.88 ? 201 GNP A O3G   1 
HETATM 1423 N  N3B   . GNP B 2 .   ? -20.208 17.356  -20.633 1.00 22.40 ? 201 GNP A N3B   1 
HETATM 1424 P  PB    . GNP B 2 .   ? -18.735 18.066  -20.127 1.00 20.72 ? 201 GNP A PB    1 
HETATM 1425 O  O1B   . GNP B 2 .   ? -17.908 18.376  -21.373 1.00 19.33 ? 201 GNP A O1B   1 
HETATM 1426 O  O2B   . GNP B 2 .   ? -18.070 17.236  -19.071 1.00 21.11 ? 201 GNP A O2B   1 
HETATM 1427 O  O3A   . GNP B 2 .   ? -19.243 19.448  -19.405 1.00 19.58 ? 201 GNP A O3A   1 
HETATM 1428 P  PA    . GNP B 2 .   ? -19.322 20.915  -20.061 1.00 20.75 ? 201 GNP A PA    1 
HETATM 1429 O  O1A   . GNP B 2 .   ? -17.917 21.362  -20.199 1.00 21.35 ? 201 GNP A O1A   1 
HETATM 1430 O  O2A   . GNP B 2 .   ? -20.124 20.952  -21.331 1.00 21.76 ? 201 GNP A O2A   1 
HETATM 1431 O  "O5'" . GNP B 2 .   ? -19.990 21.649  -18.842 1.00 21.27 ? 201 GNP A "O5'" 1 
HETATM 1432 C  "C5'" . GNP B 2 .   ? -21.315 21.270  -18.488 1.00 19.57 ? 201 GNP A "C5'" 1 
HETATM 1433 C  "C4'" . GNP B 2 .   ? -21.985 22.402  -17.713 1.00 26.43 ? 201 GNP A "C4'" 1 
HETATM 1434 O  "O4'" . GNP B 2 .   ? -21.245 22.692  -16.512 1.00 23.59 ? 201 GNP A "O4'" 1 
HETATM 1435 C  "C3'" . GNP B 2 .   ? -22.035 23.797  -18.325 1.00 24.44 ? 201 GNP A "C3'" 1 
HETATM 1436 O  "O3'" . GNP B 2 .   ? -23.288 24.467  -18.381 1.00 25.75 ? 201 GNP A "O3'" 1 
HETATM 1437 C  "C2'" . GNP B 2 .   ? -20.794 24.564  -17.997 1.00 24.28 ? 201 GNP A "C2'" 1 
HETATM 1438 O  "O2'" . GNP B 2 .   ? -20.995 25.979  -17.964 1.00 24.31 ? 201 GNP A "O2'" 1 
HETATM 1439 C  "C1'" . GNP B 2 .   ? -20.661 24.022  -16.626 1.00 21.87 ? 201 GNP A "C1'" 1 
HETATM 1440 N  N9    . GNP B 2 .   ? -19.365 24.158  -15.968 1.00 23.67 ? 201 GNP A N9    1 
HETATM 1441 C  C8    . GNP B 2 .   ? -18.258 23.516  -16.419 1.00 22.08 ? 201 GNP A C8    1 
HETATM 1442 N  N7    . GNP B 2 .   ? -17.209 23.770  -15.631 1.00 24.15 ? 201 GNP A N7    1 
HETATM 1443 C  C5    . GNP B 2 .   ? -17.649 24.570  -14.636 1.00 22.91 ? 201 GNP A C5    1 
HETATM 1444 C  C6    . GNP B 2 .   ? -17.063 25.183  -13.433 1.00 23.72 ? 201 GNP A C6    1 
HETATM 1445 O  O6    . GNP B 2 .   ? -15.838 25.029  -13.185 1.00 23.79 ? 201 GNP A O6    1 
HETATM 1446 N  N1    . GNP B 2 .   ? -17.891 25.924  -12.666 1.00 22.40 ? 201 GNP A N1    1 
HETATM 1447 C  C2    . GNP B 2 .   ? -19.208 26.138  -12.893 1.00 26.88 ? 201 GNP A C2    1 
HETATM 1448 N  N2    . GNP B 2 .   ? -19.877 26.933  -12.021 1.00 27.60 ? 201 GNP A N2    1 
HETATM 1449 N  N3    . GNP B 2 .   ? -19.827 25.605  -13.984 1.00 28.11 ? 201 GNP A N3    1 
HETATM 1450 C  C4    . GNP B 2 .   ? -19.101 24.816  -14.838 1.00 23.13 ? 201 GNP A C4    1 
HETATM 1451 MG MG    . MG  C 3 .   ? -18.007 17.972  -23.371 1.00 19.38 ? 202 MG  A MG    1 
HETATM 1452 O  O     . HOH D 4 .   ? -0.832  -9.286  -20.898 1.00 41.86 ? 301 HOH A O     1 
HETATM 1453 O  O     . HOH D 4 .   ? -20.062 33.279  -15.984 1.00 50.93 ? 302 HOH A O     1 
HETATM 1454 O  O     . HOH D 4 .   ? -21.823 28.354  -4.692  1.00 53.88 ? 303 HOH A O     1 
HETATM 1455 O  O     . HOH D 4 .   ? -6.614  19.900  -3.160  1.00 49.22 ? 304 HOH A O     1 
HETATM 1456 O  O     . HOH D 4 .   ? -5.611  30.406  -23.390 1.00 35.50 ? 305 HOH A O     1 
HETATM 1457 O  O     . HOH D 4 .   ? -22.132 31.113  -17.106 1.00 38.26 ? 306 HOH A O     1 
HETATM 1458 O  O     . HOH D 4 .   ? -20.164 8.123   -18.653 1.00 44.57 ? 307 HOH A O     1 
HETATM 1459 O  O     . HOH D 4 .   ? -14.666 3.596   -18.904 1.00 35.30 ? 308 HOH A O     1 
HETATM 1460 O  O     . HOH D 4 .   ? -22.711 6.422   -7.920  1.00 48.51 ? 309 HOH A O     1 
HETATM 1461 O  O     . HOH D 4 .   ? -5.676  9.001   -27.427 1.00 35.41 ? 310 HOH A O     1 
HETATM 1462 O  O     . HOH D 4 .   ? -21.013 5.325   -14.589 1.00 46.38 ? 311 HOH A O     1 
HETATM 1463 O  O     . HOH D 4 .   ? -15.078 27.374  -28.690 1.00 48.61 ? 312 HOH A O     1 
HETATM 1464 O  O     . HOH D 4 .   ? -23.491 14.813  -20.859 1.00 30.84 ? 313 HOH A O     1 
HETATM 1465 O  O     . HOH D 4 .   ? -4.888  1.734   -31.033 1.00 55.13 ? 314 HOH A O     1 
HETATM 1466 O  O     . HOH D 4 .   ? 8.391   17.873  -23.745 1.00 34.69 ? 315 HOH A O     1 
HETATM 1467 O  O     . HOH D 4 .   ? -15.073 20.511  -27.123 1.00 24.89 ? 316 HOH A O     1 
HETATM 1468 O  O     . HOH D 4 .   ? -13.436 2.301   -29.558 1.00 40.32 ? 317 HOH A O     1 
HETATM 1469 O  O     . HOH D 4 .   ? 1.109   28.491  -24.527 1.00 36.71 ? 318 HOH A O     1 
HETATM 1470 O  O     . HOH D 4 .   ? -10.607 24.239  -4.099  1.00 43.35 ? 319 HOH A O     1 
HETATM 1471 O  O     . HOH D 4 .   ? -27.344 27.854  -21.597 1.00 39.70 ? 320 HOH A O     1 
HETATM 1472 O  O     . HOH D 4 .   ? -14.748 25.028  -3.235  1.00 48.22 ? 321 HOH A O     1 
HETATM 1473 O  O     . HOH D 4 .   ? -4.121  28.135  -27.107 1.00 30.46 ? 322 HOH A O     1 
HETATM 1474 O  O     . HOH D 4 .   ? 12.790  29.676  -15.854 1.00 34.35 ? 323 HOH A O     1 
HETATM 1475 O  O     . HOH D 4 .   ? 4.820   15.427  -10.446 1.00 54.05 ? 324 HOH A O     1 
HETATM 1476 O  O     . HOH D 4 .   ? -20.627 22.682  -23.250 1.00 22.28 ? 325 HOH A O     1 
HETATM 1477 O  O     . HOH D 4 .   ? -3.598  -3.749  -11.499 1.00 31.32 ? 326 HOH A O     1 
HETATM 1478 O  O     . HOH D 4 .   ? -16.142 33.181  -15.955 1.00 40.63 ? 327 HOH A O     1 
HETATM 1479 O  O     . HOH D 4 .   ? -12.370 7.176   -29.727 1.00 36.50 ? 328 HOH A O     1 
HETATM 1480 O  O     . HOH D 4 .   ? -15.911 8.607   -23.174 1.00 25.95 ? 329 HOH A O     1 
HETATM 1481 O  O     . HOH D 4 .   ? 1.444   24.012  -32.864 1.00 41.23 ? 330 HOH A O     1 
HETATM 1482 O  O     . HOH D 4 .   ? -3.907  26.549  -29.323 1.00 32.39 ? 331 HOH A O     1 
HETATM 1483 O  O     . HOH D 4 .   ? -18.996 8.022   -23.238 1.00 42.41 ? 332 HOH A O     1 
HETATM 1484 O  O     . HOH D 4 .   ? -18.641 19.482  -29.591 1.00 35.04 ? 333 HOH A O     1 
HETATM 1485 O  O     . HOH D 4 .   ? -0.985  11.805  -10.533 1.00 29.17 ? 334 HOH A O     1 
HETATM 1486 O  O     . HOH D 4 .   ? -13.141 9.481   -0.812  1.00 42.99 ? 335 HOH A O     1 
HETATM 1487 O  O     . HOH D 4 .   ? -2.755  31.184  -19.378 1.00 25.23 ? 336 HOH A O     1 
HETATM 1488 O  O     . HOH D 4 .   ? -14.581 0.451   -16.522 1.00 29.70 ? 337 HOH A O     1 
HETATM 1489 O  O     . HOH D 4 .   ? -16.450 16.648  -23.137 1.00 20.99 ? 338 HOH A O     1 
HETATM 1490 O  O     . HOH D 4 .   ? -19.524 19.402  -23.449 1.00 21.22 ? 339 HOH A O     1 
HETATM 1491 O  O     . HOH D 4 .   ? 11.181  19.983  -25.579 1.00 33.04 ? 340 HOH A O     1 
HETATM 1492 O  O     . HOH D 4 .   ? -15.365 10.436  -26.952 1.00 26.32 ? 341 HOH A O     1 
HETATM 1493 O  O     . HOH D 4 .   ? 5.537   11.757  -25.994 1.00 39.74 ? 342 HOH A O     1 
HETATM 1494 O  O     . HOH D 4 .   ? -22.502 13.150  -14.453 1.00 37.77 ? 343 HOH A O     1 
HETATM 1495 O  O     . HOH D 4 .   ? -6.191  -6.013  -19.854 1.00 30.94 ? 344 HOH A O     1 
HETATM 1496 O  O     . HOH D 4 .   ? -5.235  1.380   -9.257  1.00 40.95 ? 345 HOH A O     1 
HETATM 1497 O  O     . HOH D 4 .   ? -14.793 27.058  -21.253 1.00 21.16 ? 346 HOH A O     1 
HETATM 1498 O  O     . HOH D 4 .   ? 15.784  27.072  -16.532 1.00 46.25 ? 347 HOH A O     1 
HETATM 1499 O  O     . HOH D 4 .   ? -21.945 18.993  -12.373 1.00 27.95 ? 348 HOH A O     1 
HETATM 1500 O  O     . HOH D 4 .   ? -15.159 10.736  -20.836 1.00 22.56 ? 349 HOH A O     1 
HETATM 1501 O  O     . HOH D 4 .   ? 8.785   18.165  -16.205 1.00 29.01 ? 350 HOH A O     1 
HETATM 1502 O  O     . HOH D 4 .   ? -14.589 24.480  -29.222 1.00 40.17 ? 351 HOH A O     1 
HETATM 1503 O  O     . HOH D 4 .   ? -23.520 18.322  0.214   1.00 52.65 ? 352 HOH A O     1 
HETATM 1504 O  O     . HOH D 4 .   ? -16.509 8.233   -25.753 1.00 30.55 ? 353 HOH A O     1 
HETATM 1505 O  O     . HOH D 4 .   ? -9.324  -2.504  -14.703 1.00 26.54 ? 354 HOH A O     1 
HETATM 1506 O  O     . HOH D 4 .   ? -19.178 19.776  -26.957 1.00 28.80 ? 355 HOH A O     1 
HETATM 1507 O  O     . HOH D 4 .   ? -5.858  30.918  -14.956 1.00 30.35 ? 356 HOH A O     1 
HETATM 1508 O  O     . HOH D 4 .   ? -24.647 11.671  -11.371 1.00 48.92 ? 357 HOH A O     1 
HETATM 1509 O  O     . HOH D 4 .   ? 12.512  20.560  -16.562 1.00 39.70 ? 358 HOH A O     1 
HETATM 1510 O  O     . HOH D 4 .   ? -3.869  27.966  -8.474  1.00 42.45 ? 359 HOH A O     1 
HETATM 1511 O  O     . HOH D 4 .   ? -3.130  -1.555  -10.162 1.00 36.41 ? 360 HOH A O     1 
HETATM 1512 O  O     . HOH D 4 .   ? -12.281 -1.571  -22.902 1.00 40.22 ? 361 HOH A O     1 
HETATM 1513 O  O     . HOH D 4 .   ? -0.208  23.495  -31.046 1.00 36.50 ? 362 HOH A O     1 
HETATM 1514 O  O     . HOH D 4 .   ? -22.007 16.587  -13.794 1.00 32.72 ? 363 HOH A O     1 
HETATM 1515 O  O     . HOH D 4 .   ? -21.190 13.553  -23.972 1.00 23.76 ? 364 HOH A O     1 
HETATM 1516 O  O     . HOH D 4 .   ? 5.928   24.294  -27.178 1.00 34.33 ? 365 HOH A O     1 
HETATM 1517 O  O     . HOH D 4 .   ? -16.727 11.858  -13.640 1.00 24.11 ? 366 HOH A O     1 
HETATM 1518 O  O     . HOH D 4 .   ? 8.878   24.138  -12.227 1.00 38.75 ? 367 HOH A O     1 
HETATM 1519 O  O     . HOH D 4 .   ? -14.716 6.868   -8.012  1.00 33.37 ? 368 HOH A O     1 
HETATM 1520 O  O     . HOH D 4 .   ? -25.515 8.911   -20.820 1.00 49.37 ? 369 HOH A O     1 
HETATM 1521 O  O     . HOH D 4 .   ? -17.696 -2.121  -9.113  1.00 40.98 ? 370 HOH A O     1 
HETATM 1522 O  O     . HOH D 4 .   ? -19.583 30.639  -9.321  1.00 38.76 ? 371 HOH A O     1 
HETATM 1523 O  O     . HOH D 4 .   ? 11.700  13.280  -18.801 1.00 39.63 ? 372 HOH A O     1 
HETATM 1524 O  O     . HOH D 4 .   ? -5.315  29.121  -10.871 1.00 36.80 ? 373 HOH A O     1 
HETATM 1525 O  O     . HOH D 4 .   ? -2.598  11.279  -3.658  1.00 43.51 ? 374 HOH A O     1 
HETATM 1526 O  O     . HOH D 4 .   ? -3.170  30.390  -22.432 1.00 29.63 ? 375 HOH A O     1 
HETATM 1527 O  O     . HOH D 4 .   ? 8.931   20.486  -28.227 1.00 43.62 ? 376 HOH A O     1 
HETATM 1528 O  O     . HOH D 4 .   ? 8.720   19.677  -11.897 1.00 44.42 ? 377 HOH A O     1 
HETATM 1529 O  O     . HOH D 4 .   ? -25.468 16.067  -16.653 1.00 46.01 ? 378 HOH A O     1 
HETATM 1530 O  O     . HOH D 4 .   ? -27.013 23.543  -24.630 1.00 32.89 ? 379 HOH A O     1 
HETATM 1531 O  O     . HOH D 4 .   ? 0.327   3.807   -23.979 1.00 29.11 ? 380 HOH A O     1 
HETATM 1532 O  O     . HOH D 4 .   ? -0.356  5.982   -11.102 1.00 34.53 ? 381 HOH A O     1 
HETATM 1533 O  O     . HOH D 4 .   ? 2.584   7.765   -21.411 1.00 24.82 ? 382 HOH A O     1 
HETATM 1534 O  O     . HOH D 4 .   ? -2.312  24.327  -7.891  1.00 51.34 ? 383 HOH A O     1 
HETATM 1535 O  O     . HOH D 4 .   ? -1.847  1.111   -25.771 1.00 47.28 ? 384 HOH A O     1 
HETATM 1536 O  O     . HOH D 4 .   ? -18.083 5.028   -17.023 1.00 47.26 ? 385 HOH A O     1 
HETATM 1537 O  O     . HOH D 4 .   ? -5.005  28.272  -14.850 1.00 23.68 ? 386 HOH A O     1 
HETATM 1538 O  O     . HOH D 4 .   ? 9.610   3.533   -17.494 1.00 54.98 ? 387 HOH A O     1 
HETATM 1539 O  O     . HOH D 4 .   ? -23.442 22.124  -10.783 1.00 42.89 ? 388 HOH A O     1 
HETATM 1540 O  O     . HOH D 4 .   ? -0.412  27.121  -29.092 1.00 35.48 ? 389 HOH A O     1 
HETATM 1541 O  O     . HOH D 4 .   ? -2.928  2.171   -10.066 1.00 33.24 ? 390 HOH A O     1 
HETATM 1542 O  O     . HOH D 4 .   ? -22.230 28.542  -12.401 1.00 40.73 ? 391 HOH A O     1 
HETATM 1543 O  O     . HOH D 4 .   ? 8.218   26.522  -17.457 1.00 27.01 ? 392 HOH A O     1 
HETATM 1544 O  O     . HOH D 4 .   ? 8.544   12.704  -22.084 1.00 37.78 ? 393 HOH A O     1 
HETATM 1545 O  O     . HOH D 4 .   ? -25.106 12.976  -7.941  1.00 43.77 ? 394 HOH A O     1 
HETATM 1546 O  O     . HOH D 4 .   ? -5.441  16.907  -30.820 1.00 37.05 ? 395 HOH A O     1 
HETATM 1547 O  O     . HOH D 4 .   ? -15.558 33.751  -20.484 1.00 29.48 ? 396 HOH A O     1 
HETATM 1548 O  O     . HOH D 4 .   ? 7.317   13.553  -28.244 1.00 32.43 ? 397 HOH A O     1 
HETATM 1549 O  O     . HOH D 4 .   ? -26.884 21.002  -27.732 1.00 43.07 ? 398 HOH A O     1 
HETATM 1550 O  O     . HOH D 4 .   ? -0.098  27.715  -9.478  1.00 37.78 ? 399 HOH A O     1 
HETATM 1551 O  O     . HOH D 4 .   ? 8.388   15.648  -14.752 1.00 25.69 ? 400 HOH A O     1 
HETATM 1552 O  O     . HOH D 4 .   ? 6.056   25.125  -15.849 1.00 29.58 ? 401 HOH A O     1 
HETATM 1553 O  O     . HOH D 4 .   ? -26.400 14.149  -27.102 1.00 52.16 ? 402 HOH A O     1 
HETATM 1554 O  O     . HOH D 4 .   ? 6.188   2.409   -17.113 1.00 43.29 ? 403 HOH A O     1 
HETATM 1555 O  O     . HOH D 4 .   ? -26.175 8.402   -23.005 1.00 45.15 ? 404 HOH A O     1 
HETATM 1556 O  O     . HOH D 4 .   ? 4.880   28.433  -19.192 1.00 31.64 ? 405 HOH A O     1 
HETATM 1557 O  O     . HOH D 4 .   ? -5.420  -4.624  -23.464 1.00 44.92 ? 406 HOH A O     1 
HETATM 1558 O  O     . HOH D 4 .   ? 2.107   15.283  -35.064 1.00 31.26 ? 407 HOH A O     1 
HETATM 1559 O  O     . HOH D 4 .   ? -6.358  21.878  -5.452  1.00 34.88 ? 408 HOH A O     1 
HETATM 1560 O  O     . HOH D 4 .   ? -14.950 1.294   -25.403 1.00 43.45 ? 409 HOH A O     1 
HETATM 1561 O  O     . HOH D 4 .   ? -6.854  23.658  -31.041 1.00 27.08 ? 410 HOH A O     1 
HETATM 1562 O  O     . HOH D 4 .   ? 3.531   3.277   -22.393 1.00 43.17 ? 411 HOH A O     1 
HETATM 1563 O  O     . HOH D 4 .   ? -22.333 23.846  -13.350 1.00 38.59 ? 412 HOH A O     1 
HETATM 1564 O  O     . HOH D 4 .   ? -22.341 10.296  -16.969 1.00 39.63 ? 413 HOH A O     1 
HETATM 1565 O  O     . HOH D 4 .   ? -13.667 7.219   -2.441  1.00 46.39 ? 414 HOH A O     1 
HETATM 1566 O  O     . HOH D 4 .   ? -2.266  4.938   -12.423 1.00 34.36 ? 415 HOH A O     1 
HETATM 1567 O  O     . HOH D 4 .   ? 11.306  26.064  -23.508 1.00 36.23 ? 416 HOH A O     1 
HETATM 1568 O  O     . HOH D 4 .   ? -2.803  14.737  -4.206  1.00 35.42 ? 417 HOH A O     1 
HETATM 1569 O  O     . HOH D 4 .   ? -4.772  -4.069  -16.137 1.00 29.89 ? 418 HOH A O     1 
HETATM 1570 O  O     . HOH D 4 .   ? -16.928 1.815   -21.090 1.00 43.13 ? 419 HOH A O     1 
HETATM 1571 O  O     . HOH D 4 .   ? -21.182 2.237   -15.576 1.00 42.08 ? 420 HOH A O     1 
HETATM 1572 O  O     . HOH D 4 .   ? 9.465   13.144  -26.392 1.00 50.99 ? 421 HOH A O     1 
HETATM 1573 O  O     . HOH D 4 .   ? -0.349  8.426   -12.624 1.00 31.82 ? 422 HOH A O     1 
HETATM 1574 O  O     . HOH D 4 .   ? 1.039   -0.396  -8.816  1.00 47.39 ? 423 HOH A O     1 
HETATM 1575 O  O     . HOH D 4 .   ? 4.948   20.784  -32.594 1.00 42.82 ? 424 HOH A O     1 
HETATM 1576 O  O     . HOH D 4 .   ? -12.464 19.701  -32.400 1.00 38.55 ? 425 HOH A O     1 
HETATM 1577 O  O     . HOH D 4 .   ? -19.805 16.981  -30.345 1.00 34.51 ? 426 HOH A O     1 
HETATM 1578 O  O     . HOH D 4 .   ? 1.138   9.563   -30.427 1.00 38.10 ? 427 HOH A O     1 
HETATM 1579 O  O     . HOH D 4 .   ? -19.226 29.500  -27.293 1.00 50.50 ? 428 HOH A O     1 
HETATM 1580 O  O     . HOH D 4 .   ? -22.915 25.766  -14.126 1.00 38.84 ? 429 HOH A O     1 
HETATM 1581 O  O     . HOH D 4 .   ? -6.709  -0.819  -10.233 1.00 49.52 ? 430 HOH A O     1 
HETATM 1582 O  O     . HOH D 4 .   ? -9.874  8.295   -30.723 1.00 53.45 ? 431 HOH A O     1 
HETATM 1583 O  O     . HOH D 4 .   ? -3.904  30.455  -11.906 1.00 46.57 ? 432 HOH A O     1 
HETATM 1584 O  O     . HOH D 4 .   ? 10.558  12.249  -20.697 1.00 38.95 ? 433 HOH A O     1 
HETATM 1585 O  O     . HOH D 4 .   ? 4.615   9.064   -23.165 1.00 43.82 ? 434 HOH A O     1 
HETATM 1586 O  O     . HOH D 4 .   ? -4.782  12.868  -27.514 1.00 33.79 ? 435 HOH A O     1 
HETATM 1587 O  O     . HOH D 4 .   ? -23.998 20.508  -15.426 1.00 36.18 ? 436 HOH A O     1 
HETATM 1588 O  O     . HOH D 4 .   ? 7.211   21.641  -29.355 1.00 47.71 ? 437 HOH A O     1 
HETATM 1589 O  O     . HOH D 4 .   ? -7.733  8.722   -30.715 1.00 45.53 ? 438 HOH A O     1 
HETATM 1590 O  O     . HOH D 4 .   ? 11.376  17.867  -17.366 1.00 29.38 ? 439 HOH A O     1 
HETATM 1591 O  O     . HOH D 4 .   ? -24.207 18.929  -11.083 1.00 39.73 ? 440 HOH A O     1 
HETATM 1592 O  O     . HOH D 4 .   ? -13.418 21.830  -31.580 1.00 51.39 ? 441 HOH A O     1 
HETATM 1593 O  O     . HOH D 4 .   ? -15.791 7.680   -4.901  1.00 46.30 ? 442 HOH A O     1 
HETATM 1594 O  O     . HOH D 4 .   ? -21.995 29.280  -14.829 1.00 42.49 ? 443 HOH A O     1 
HETATM 1595 O  O     . HOH D 4 .   ? 3.545   13.166  -9.446  1.00 44.87 ? 444 HOH A O     1 
HETATM 1596 O  O     . HOH D 4 .   ? 7.295   3.432   -14.855 1.00 50.46 ? 445 HOH A O     1 
HETATM 1597 O  O     . HOH D 4 .   ? -7.340  -1.800  -12.883 1.00 26.10 ? 446 HOH A O     1 
HETATM 1598 O  O     . HOH D 4 .   ? -21.451 10.558  -13.743 1.00 36.82 ? 447 HOH A O     1 
HETATM 1599 O  O     . HOH D 4 .   ? -6.011  30.265  -29.568 1.00 49.74 ? 448 HOH A O     1 
HETATM 1600 O  O     . HOH D 4 .   ? -8.509  35.988  -23.173 1.00 55.65 ? 449 HOH A O     1 
HETATM 1601 O  O     . HOH D 4 .   ? -5.130  -7.137  -22.525 1.00 48.28 ? 450 HOH A O     1 
HETATM 1602 O  O     . HOH D 4 .   ? -17.509 21.864  -26.833 1.00 34.02 ? 451 HOH A O     1 
HETATM 1603 O  O     . HOH D 4 .   ? 8.174   16.852  -12.031 1.00 39.86 ? 452 HOH A O     1 
HETATM 1604 O  O     . HOH D 4 .   ? -24.397 17.727  -14.989 1.00 36.17 ? 453 HOH A O     1 
HETATM 1605 O  O     . HOH D 4 .   ? -15.514 0.520   -6.072  1.00 58.06 ? 454 HOH A O     1 
HETATM 1606 O  O     . HOH D 4 .   ? -3.730  22.007  -6.125  1.00 45.20 ? 455 HOH A O     1 
HETATM 1607 O  O     . HOH D 4 .   ? -24.593 12.550  -19.842 1.00 47.30 ? 456 HOH A O     1 
HETATM 1608 O  O     . HOH D 4 .   ? -14.948 5.226   -5.821  1.00 49.78 ? 457 HOH A O     1 
HETATM 1609 O  O     . HOH D 4 .   ? 13.332  29.237  -13.267 1.00 38.78 ? 458 HOH A O     1 
HETATM 1610 O  O     . HOH D 4 .   ? -7.423  24.206  -4.473  1.00 44.46 ? 459 HOH A O     1 
HETATM 1611 O  O     . HOH D 4 .   ? 1.072   10.035  -10.302 1.00 42.56 ? 460 HOH A O     1 
HETATM 1612 O  O     . HOH D 4 .   ? -16.232 -0.980  -24.872 1.00 47.47 ? 461 HOH A O     1 
HETATM 1613 O  O     . HOH D 4 .   ? -0.888  -10.400 -23.419 1.00 45.57 ? 462 HOH A O     1 
HETATM 1614 O  O     . HOH D 4 .   ? -19.716 8.131   -15.236 1.00 53.79 ? 463 HOH A O     1 
HETATM 1615 O  O     . HOH D 4 .   ? 5.940   7.648   -11.345 1.00 53.89 ? 464 HOH A O     1 
HETATM 1616 O  O     . HOH D 4 .   ? -5.740  18.536  -33.538 1.00 50.88 ? 465 HOH A O     1 
HETATM 1617 O  O     . HOH D 4 .   ? -17.724 23.229  -28.846 1.00 43.54 ? 466 HOH A O     1 
HETATM 1618 O  O     . HOH D 4 .   ? -18.797 23.492  -25.183 1.00 33.94 ? 467 HOH A O     1 
HETATM 1619 O  O     . HOH D 4 .   ? 1.094   25.677  -9.136  1.00 48.69 ? 468 HOH A O     1 
HETATM 1620 O  O     . HOH D 4 .   ? 2.310   5.757   -23.370 1.00 31.08 ? 469 HOH A O     1 
HETATM 1621 O  O     . HOH D 4 .   ? -18.113 -3.324  -6.996  1.00 55.27 ? 470 HOH A O     1 
HETATM 1622 O  O     . HOH D 4 .   ? -1.756  29.626  -26.719 1.00 47.25 ? 471 HOH A O     1 
HETATM 1623 O  O     . HOH D 4 .   ? 10.612  27.798  -25.532 1.00 41.26 ? 472 HOH A O     1 
HETATM 1624 O  O     . HOH D 4 .   ? 12.170  16.518  -13.552 1.00 47.46 ? 473 HOH A O     1 
HETATM 1625 O  O     . HOH D 4 .   ? 10.549  25.261  -28.601 1.00 51.90 ? 474 HOH A O     1 
HETATM 1626 O  O     . HOH D 4 .   ? 11.799  1.985   -15.958 1.00 44.88 ? 475 HOH A O     1 
# 
loop_
_atom_site_anisotrop.id 
_atom_site_anisotrop.type_symbol 
_atom_site_anisotrop.pdbx_label_atom_id 
_atom_site_anisotrop.pdbx_label_alt_id 
_atom_site_anisotrop.pdbx_label_comp_id 
_atom_site_anisotrop.pdbx_label_asym_id 
_atom_site_anisotrop.pdbx_label_seq_id 
_atom_site_anisotrop.pdbx_PDB_ins_code 
_atom_site_anisotrop.U[1][1] 
_atom_site_anisotrop.U[2][2] 
_atom_site_anisotrop.U[3][3] 
_atom_site_anisotrop.U[1][2] 
_atom_site_anisotrop.U[1][3] 
_atom_site_anisotrop.U[2][3] 
_atom_site_anisotrop.pdbx_auth_seq_id 
_atom_site_anisotrop.pdbx_auth_comp_id 
_atom_site_anisotrop.pdbx_auth_asym_id 
_atom_site_anisotrop.pdbx_auth_atom_id 
1    N  N     . GLN A 2   ? 0.5637 0.6643 0.7520 0.0259  0.1563  0.0467  12  GLN A N     
2    C  CA    . GLN A 2   ? 0.4123 0.5073 0.5588 0.0336  0.1642  0.0383  12  GLN A CA    
3    C  C     . GLN A 2   ? 0.5260 0.6134 0.6582 0.0339  0.1433  0.0236  12  GLN A C     
4    O  O     . GLN A 2   ? 0.5822 0.6682 0.7091 0.0399  0.1477  0.0140  12  GLN A O     
5    C  CB    . GLN A 2   ? 0.4564 0.5583 0.6164 0.0402  0.1864  0.0386  12  GLN A CB    
6    N  N     . GLU A 3   ? 0.3244 0.4059 0.4507 0.0278  0.1221  0.0222  13  GLU A N     
7    C  CA    . GLU A 3   ? 0.2826 0.3568 0.3975 0.0272  0.1029  0.0112  13  GLU A CA    
8    C  C     . GLU A 3   ? 0.2691 0.3339 0.3472 0.0243  0.0918  0.0099  13  GLU A C     
9    O  O     . GLU A 3   ? 0.2907 0.3551 0.3652 0.0207  0.0912  0.0178  13  GLU A O     
10   C  CB    . GLU A 3   ? 0.2642 0.3412 0.4141 0.0228  0.0864  0.0103  13  GLU A CB    
11   C  CG    . GLU A 3   ? 0.3470 0.4348 0.5409 0.0259  0.0936  0.0112  13  GLU A CG    
12   C  CD    . GLU A 3   ? 0.3615 0.4509 0.5843 0.0222  0.0726  0.0090  13  GLU A CD    
13   O  OE1   . GLU A 3   ? 0.2743 0.3640 0.5093 0.0155  0.0614  0.0125  13  GLU A OE1   
14   O  OE2   . GLU A 3   ? 0.3936 0.4826 0.6251 0.0262  0.0663  0.0036  13  GLU A OE2   
15   N  N     . LYS A 4   ? 0.2391 0.2965 0.2944 0.0259  0.0826  0.0002  14  LYS A N     
16   C  CA    . LYS A 4   ? 0.2331 0.2831 0.2561 0.0238  0.0732  -0.0015 14  LYS A CA    
17   C  C     . LYS A 4   ? 0.2453 0.2885 0.2631 0.0227  0.0585  -0.0105 14  LYS A C     
18   O  O     . LYS A 4   ? 0.2442 0.2863 0.2725 0.0255  0.0582  -0.0166 14  LYS A O     
19   C  CB    . LYS A 4   ? 0.3212 0.3692 0.3112 0.0280  0.0836  -0.0021 14  LYS A CB    
20   C  CG    . LYS A 4   ? 0.4355 0.4798 0.4138 0.0335  0.0889  -0.0136 14  LYS A CG    
21   C  CD    . LYS A 4   ? 0.5660 0.6058 0.5045 0.0373  0.0949  -0.0172 14  LYS A CD    
22   C  CE    . LYS A 4   ? 0.6699 0.7029 0.5974 0.0422  0.0972  -0.0320 14  LYS A CE    
23   N  NZ    . LYS A 4   ? 0.6732 0.7001 0.6089 0.0386  0.0798  -0.0397 14  LYS A NZ    
24   N  N     . TYR A 5   ? 0.2457 0.2841 0.2482 0.0190  0.0475  -0.0105 15  TYR A N     
25   C  CA    . TYR A 5   ? 0.2267 0.2585 0.2241 0.0173  0.0352  -0.0166 15  TYR A CA    
26   C  C     . TYR A 5   ? 0.2440 0.2719 0.2164 0.0162  0.0312  -0.0186 15  TYR A C     
27   O  O     . TYR A 5   ? 0.2584 0.2881 0.2237 0.0144  0.0307  -0.0129 15  TYR A O     
28   C  CB    . TYR A 5   ? 0.2209 0.2515 0.2321 0.0131  0.0245  -0.0140 15  TYR A CB    
29   C  CG    . TYR A 5   ? 0.2248 0.2602 0.2641 0.0137  0.0247  -0.0121 15  TYR A CG    
30   C  CD1   . TYR A 5   ? 0.3051 0.3391 0.3563 0.0159  0.0201  -0.0154 15  TYR A CD1   
31   C  CD2   . TYR A 5   ? 0.2537 0.2950 0.3105 0.0118  0.0286  -0.0063 15  TYR A CD2   
32   C  CE1   . TYR A 5   ? 0.2640 0.3041 0.3453 0.0167  0.0186  -0.0131 15  TYR A CE1   
33   C  CE2   . TYR A 5   ? 0.2491 0.2965 0.3372 0.0117  0.0277  -0.0047 15  TYR A CE2   
34   C  CZ    . TYR A 5   ? 0.2725 0.3198 0.3723 0.0143  0.0218  -0.0083 15  TYR A CZ    
35   O  OH    . TYR A 5   ? 0.2706 0.3252 0.4051 0.0147  0.0189  -0.0063 15  TYR A OH    
36   N  N     . ARG A 6   ? 0.2401 0.2624 0.2031 0.0170  0.0271  -0.0263 16  ARG A N     
37   C  CA    . ARG A 6   ? 0.2388 0.2578 0.1839 0.0150  0.0204  -0.0292 16  ARG A CA    
38   C  C     . ARG A 6   ? 0.2678 0.2836 0.2205 0.0108  0.0112  -0.0277 16  ARG A C     
39   O  O     . ARG A 6   ? 0.2590 0.2696 0.2187 0.0103  0.0075  -0.0309 16  ARG A O     
40   C  CB    . ARG A 6   ? 0.2972 0.3109 0.2307 0.0175  0.0209  -0.0395 16  ARG A CB    
41   C  CG    . ARG A 6   ? 0.4229 0.4383 0.3414 0.0224  0.0314  -0.0421 16  ARG A CG    
42   C  CD    . ARG A 6   ? 0.5481 0.5557 0.4509 0.0248  0.0301  -0.0553 16  ARG A CD    
43   N  NE    . ARG A 6   ? 0.7407 0.7449 0.6323 0.0207  0.0172  -0.0593 16  ARG A NE    
44   C  CZ    . ARG A 6   ? 0.7977 0.8042 0.6676 0.0205  0.0128  -0.0585 16  ARG A CZ    
45   N  NH1   . ARG A 6   ? 0.8249 0.8361 0.6785 0.0240  0.0210  -0.0523 16  ARG A NH1   
46   N  NH2   . ARG A 6   ? 0.7162 0.7204 0.5824 0.0165  -0.0004 -0.0630 16  ARG A NH2   
47   N  N     . LEU A 7   ? 0.2382 0.2565 0.1893 0.0083  0.0086  -0.0221 17  LEU A N     
48   C  CA    . LEU A 7   ? 0.2065 0.2219 0.1624 0.0051  0.0030  -0.0203 17  LEU A CA    
49   C  C     . LEU A 7   ? 0.2466 0.2622 0.1959 0.0031  -0.0010 -0.0212 17  LEU A C     
50   O  O     . LEU A 7   ? 0.2870 0.3065 0.2286 0.0041  -0.0012 -0.0205 17  LEU A O     
51   C  CB    . LEU A 7   ? 0.2159 0.2331 0.1773 0.0041  0.0040  -0.0149 17  LEU A CB    
52   C  CG    . LEU A 7   ? 0.2189 0.2379 0.1920 0.0051  0.0068  -0.0134 17  LEU A CG    
53   C  CD1   . LEU A 7   ? 0.2726 0.2907 0.2519 0.0030  0.0052  -0.0103 17  LEU A CD1   
54   C  CD2   . LEU A 7   ? 0.2733 0.2892 0.2538 0.0057  0.0034  -0.0163 17  LEU A CD2   
55   N  N     . VAL A 8   ? 0.2072 0.2188 0.1606 0.0005  -0.0044 -0.0218 18  VAL A N     
56   C  CA    . VAL A 8   ? 0.2225 0.2353 0.1766 -0.0020 -0.0082 -0.0225 18  VAL A CA    
57   C  C     . VAL A 8   ? 0.2247 0.2369 0.1847 -0.0041 -0.0069 -0.0177 18  VAL A C     
58   O  O     . VAL A 8   ? 0.2339 0.2406 0.1945 -0.0048 -0.0055 -0.0162 18  VAL A O     
59   C  CB    . VAL A 8   ? 0.2228 0.2304 0.1789 -0.0034 -0.0118 -0.0287 18  VAL A CB    
60   C  CG1   . VAL A 8   ? 0.2156 0.2261 0.1775 -0.0069 -0.0171 -0.0293 18  VAL A CG1   
61   C  CG2   . VAL A 8   ? 0.2603 0.2667 0.2078 -0.0003 -0.0115 -0.0358 18  VAL A CG2   
62   N  N     . VAL A 9   ? 0.2132 0.2310 0.1773 -0.0047 -0.0072 -0.0149 19  VAL A N     
63   C  CA    . VAL A 9   ? 0.2306 0.2485 0.2012 -0.0058 -0.0032 -0.0110 19  VAL A CA    
64   C  C     . VAL A 9   ? 0.1905 0.2104 0.1727 -0.0090 -0.0047 -0.0106 19  VAL A C     
65   O  O     . VAL A 9   ? 0.2511 0.2772 0.2404 -0.0099 -0.0105 -0.0118 19  VAL A O     
66   C  CB    . VAL A 9   ? 0.2342 0.2570 0.2079 -0.0035 -0.0011 -0.0076 19  VAL A CB    
67   C  CG1   . VAL A 9   ? 0.2482 0.2692 0.2271 -0.0036 0.0054  -0.0055 19  VAL A CG1   
68   C  CG2   . VAL A 9   ? 0.2286 0.2498 0.1954 -0.0011 0.0000  -0.0073 19  VAL A CG2   
69   N  N     . VAL A 10  ? 0.2034 0.2177 0.1877 -0.0110 -0.0003 -0.0084 20  VAL A N     
70   C  CA    . VAL A 10  ? 0.1992 0.2145 0.1988 -0.0150 -0.0003 -0.0068 20  VAL A CA    
71   C  C     . VAL A 10  ? 0.2330 0.2476 0.2374 -0.0156 0.0100  -0.0005 20  VAL A C     
72   O  O     . VAL A 10  ? 0.2449 0.2549 0.2355 -0.0129 0.0163  0.0012  20  VAL A O     
73   C  CB    . VAL A 10  ? 0.2365 0.2435 0.2363 -0.0173 -0.0038 -0.0091 20  VAL A CB    
74   C  CG1   . VAL A 10  ? 0.2416 0.2483 0.2346 -0.0157 -0.0116 -0.0171 20  VAL A CG1   
75   C  CG2   . VAL A 10  ? 0.2200 0.2177 0.2088 -0.0162 0.0015  -0.0046 20  VAL A CG2   
76   N  N     . GLY A 11  ? 0.2322 0.2511 0.2570 -0.0192 0.0121  0.0026  21  GLY A N     
77   C  CA    . GLY A 11  ? 0.2535 0.2728 0.2859 -0.0197 0.0247  0.0094  21  GLY A CA    
78   C  C     . GLY A 11  ? 0.2267 0.2581 0.2899 -0.0221 0.0255  0.0117  21  GLY A C     
79   O  O     . GLY A 11  ? 0.2166 0.2562 0.2924 -0.0230 0.0141  0.0078  21  GLY A O     
80   N  N     . GLY A 12  ? 0.2305 0.2631 0.3052 -0.0228 0.0394  0.0186  22  GLY A N     
81   C  CA    . GLY A 12  ? 0.2313 0.2765 0.3426 -0.0256 0.0425  0.0225  22  GLY A CA    
82   C  C     . GLY A 12  ? 0.2393 0.2964 0.3638 -0.0216 0.0394  0.0206  22  GLY A C     
83   O  O     . GLY A 12  ? 0.2536 0.3082 0.3588 -0.0164 0.0387  0.0173  22  GLY A O     
84   N  N     . GLY A 13  ? 0.2104 0.2810 0.3729 -0.0243 0.0373  0.0236  23  GLY A N     
85   C  CA    . GLY A 13  ? 0.2375 0.3205 0.4177 -0.0204 0.0312  0.0232  23  GLY A CA    
86   C  C     . GLY A 13  ? 0.2133 0.2958 0.3896 -0.0134 0.0477  0.0256  23  GLY A C     
87   O  O     . GLY A 13  ? 0.2396 0.3189 0.4171 -0.0125 0.0667  0.0293  23  GLY A O     
88   N  N     . GLY A 14  ? 0.2165 0.3007 0.3859 -0.0081 0.0410  0.0233  24  GLY A N     
89   C  CA    . GLY A 14  ? 0.2283 0.3119 0.4000 -0.0011 0.0544  0.0241  24  GLY A CA    
90   C  C     . GLY A 14  ? 0.2185 0.2860 0.3538 0.0021  0.0668  0.0198  24  GLY A C     
91   O  O     . GLY A 14  ? 0.2340 0.2987 0.3701 0.0080  0.0795  0.0185  24  GLY A O     
92   N  N     . VAL A 15  ? 0.2187 0.2751 0.3231 -0.0012 0.0626  0.0169  25  VAL A N     
93   C  CA    . VAL A 15  ? 0.2344 0.2760 0.3050 0.0015  0.0717  0.0128  25  VAL A CA    
94   C  C     . VAL A 15  ? 0.2202 0.2560 0.2755 0.0053  0.0653  0.0074  25  VAL A C     
95   O  O     . VAL A 15  ? 0.2691 0.2930 0.3007 0.0079  0.0717  0.0025  25  VAL A O     
96   C  CB    . VAL A 15  ? 0.2502 0.2821 0.2962 -0.0028 0.0689  0.0129  25  VAL A CB    
97   C  CG1   . VAL A 15  ? 0.2615 0.2966 0.3232 -0.0068 0.0780  0.0199  25  VAL A CG1   
98   C  CG2   . VAL A 15  ? 0.2607 0.2932 0.3012 -0.0057 0.0508  0.0103  25  VAL A CG2   
99   N  N     . GLY A 16  ? 0.2127 0.2559 0.2801 0.0056  0.0524  0.0084  26  GLY A N     
100  C  CA    . GLY A 16  ? 0.2053 0.2439 0.2641 0.0092  0.0476  0.0058  26  GLY A CA    
101  C  C     . GLY A 16  ? 0.2296 0.2649 0.2695 0.0066  0.0348  0.0043  26  GLY A C     
102  O  O     . GLY A 16  ? 0.2421 0.2702 0.2699 0.0084  0.0335  0.0017  26  GLY A O     
103  N  N     . LYS A 17  ? 0.1829 0.2226 0.2222 0.0024  0.0264  0.0053  27  LYS A N     
104  C  CA    . LYS A 17  ? 0.2200 0.2569 0.2427 0.0008  0.0164  0.0033  27  LYS A CA    
105  C  C     . LYS A 17  ? 0.2118 0.2523 0.2365 0.0038  0.0103  0.0060  27  LYS A C     
106  O  O     . LYS A 17  ? 0.2145 0.2494 0.2261 0.0048  0.0094  0.0050  27  LYS A O     
107  C  CB    . LYS A 17  ? 0.2087 0.2498 0.2347 -0.0033 0.0088  0.0028  27  LYS A CB    
108  C  CG    . LYS A 17  ? 0.2162 0.2517 0.2396 -0.0065 0.0152  0.0022  27  LYS A CG    
109  C  CD    . LYS A 17  ? 0.2461 0.2827 0.2740 -0.0109 0.0069  0.0005  27  LYS A CD    
110  C  CE    . LYS A 17  ? 0.2017 0.2496 0.2538 -0.0129 -0.0001 0.0019  27  LYS A CE    
111  N  NZ    . LYS A 17  ? 0.2168 0.2711 0.2934 -0.0135 0.0092  0.0071  27  LYS A NZ    
112  N  N     . SER A 18  ? 0.2216 0.2717 0.2648 0.0054  0.0059  0.0107  28  SER A N     
113  C  CA    . SER A 18  ? 0.1865 0.2401 0.2311 0.0088  -0.0008 0.0161  28  SER A CA    
114  C  C     . SER A 18  ? 0.2112 0.2584 0.2594 0.0127  0.0072  0.0177  28  SER A C     
115  O  O     . SER A 18  ? 0.2340 0.2776 0.2740 0.0142  0.0052  0.0207  28  SER A O     
116  C  CB    . SER A 18  ? 0.1990 0.2650 0.2643 0.0098  -0.0100 0.0215  28  SER A CB    
117  O  OG    . SER A 18  ? 0.2175 0.2876 0.2767 0.0055  -0.0203 0.0181  28  SER A OG    
118  N  N     . ALA A 19  ? 0.1904 0.2355 0.2518 0.0146  0.0172  0.0157  29  ALA A N     
119  C  CA    . ALA A 19  ? 0.1760 0.2126 0.2414 0.0185  0.0248  0.0147  29  ALA A CA    
120  C  C     . ALA A 19  ? 0.2152 0.2401 0.2592 0.0164  0.0261  0.0090  29  ALA A C     
121  O  O     . ALA A 19  ? 0.2278 0.2465 0.2741 0.0182  0.0265  0.0102  29  ALA A O     
122  C  CB    . ALA A 19  ? 0.2114 0.2468 0.2913 0.0213  0.0371  0.0113  29  ALA A CB    
123  N  N     . LEU A 20  ? 0.2250 0.2465 0.2518 0.0127  0.0267  0.0034  30  LEU A N     
124  C  CA    . LEU A 20  ? 0.2079 0.2202 0.2175 0.0106  0.0252  -0.0015 30  LEU A CA    
125  C  C     . LEU A 20  ? 0.2596 0.2750 0.2674 0.0098  0.0184  0.0032  30  LEU A C     
126  O  O     . LEU A 20  ? 0.2415 0.2511 0.2494 0.0097  0.0186  0.0028  30  LEU A O     
127  C  CB    . LEU A 20  ? 0.2185 0.2275 0.2115 0.0073  0.0253  -0.0063 30  LEU A CB    
128  C  CG    . LEU A 20  ? 0.2365 0.2385 0.2224 0.0082  0.0343  -0.0112 30  LEU A CG    
129  C  CD1   . LEU A 20  ? 0.2841 0.2846 0.2555 0.0052  0.0340  -0.0114 30  LEU A CD1   
130  C  CD2   . LEU A 20  ? 0.2843 0.2740 0.2607 0.0096  0.0364  -0.0185 30  LEU A CD2   
131  N  N     . THR A 21  ? 0.2311 0.2551 0.2374 0.0090  0.0128  0.0074  31  THR A N     
132  C  CA    . THR A 21  ? 0.2468 0.2734 0.2460 0.0089  0.0083  0.0115  31  THR A CA    
133  C  C     . THR A 21  ? 0.2607 0.2881 0.2692 0.0121  0.0086  0.0200  31  THR A C     
134  O  O     . THR A 21  ? 0.2346 0.2590 0.2405 0.0120  0.0102  0.0233  31  THR A O     
135  C  CB    . THR A 21  ? 0.2342 0.2679 0.2261 0.0077  0.0018  0.0117  31  THR A CB    
136  O  OG1   . THR A 21  ? 0.2406 0.2721 0.2274 0.0047  0.0021  0.0050  31  THR A OG1   
137  C  CG2   . THR A 21  ? 0.2485 0.2837 0.2278 0.0084  -0.0007 0.0147  31  THR A CG2   
138  N  N     . ILE A 22  ? 0.2019 0.2330 0.2245 0.0150  0.0078  0.0245  32  ILE A N     
139  C  CA    . ILE A 22  ? 0.2065 0.2376 0.2399 0.0188  0.0074  0.0345  32  ILE A CA    
140  C  C     . ILE A 22  ? 0.2514 0.2716 0.2942 0.0191  0.0146  0.0324  32  ILE A C     
141  O  O     . ILE A 22  ? 0.2486 0.2653 0.2965 0.0203  0.0156  0.0401  32  ILE A O     
142  C  CB    . ILE A 22  ? 0.1808 0.2198 0.2312 0.0224  0.0032  0.0404  32  ILE A CB    
143  C  CG1   . ILE A 22  ? 0.2590 0.3081 0.2982 0.0212  -0.0075 0.0427  32  ILE A CG1   
144  C  CG2   . ILE A 22  ? 0.2586 0.2956 0.3241 0.0272  0.0032  0.0518  32  ILE A CG2   
145  C  CD1   . ILE A 22  ? 0.2541 0.3135 0.3139 0.0233  -0.0145 0.0463  32  ILE A CD1   
146  N  N     . GLN A 23  ? 0.2411 0.2548 0.2860 0.0182  0.0197  0.0220  33  GLN A N     
147  C  CA    . GLN A 23  ? 0.2223 0.2237 0.2735 0.0180  0.0244  0.0171  33  GLN A CA    
148  C  C     . GLN A 23  ? 0.2181 0.2167 0.2610 0.0140  0.0224  0.0166  33  GLN A C     
149  O  O     . GLN A 23  ? 0.2572 0.2496 0.3115 0.0136  0.0239  0.0200  33  GLN A O     
150  C  CB    . GLN A 23  ? 0.2844 0.2780 0.3313 0.0177  0.0294  0.0044  33  GLN A CB    
151  C  CG    . GLN A 23  ? 0.2695 0.2601 0.3334 0.0228  0.0363  0.0031  33  GLN A CG    
152  C  CD    . GLN A 23  ? 0.2693 0.2475 0.3491 0.0250  0.0393  0.0018  33  GLN A CD    
153  O  OE1   . GLN A 23  ? 0.2888 0.2636 0.3732 0.0229  0.0356  0.0070  33  GLN A OE1   
154  N  NE2   . GLN A 23  ? 0.2963 0.2673 0.3865 0.0293  0.0472  -0.0050 33  GLN A NE2   
155  N  N     . PHE A 24  ? 0.2270 0.2301 0.2539 0.0111  0.0195  0.0128  34  PHE A N     
156  C  CA    . PHE A 24  ? 0.2095 0.2116 0.2326 0.0079  0.0183  0.0126  34  PHE A CA    
157  C  C     . PHE A 24  ? 0.2498 0.2562 0.2782 0.0089  0.0199  0.0247  34  PHE A C     
158  O  O     . PHE A 24  ? 0.2819 0.2846 0.3207 0.0071  0.0224  0.0274  34  PHE A O     
159  C  CB    . PHE A 24  ? 0.1863 0.1929 0.1937 0.0059  0.0152  0.0077  34  PHE A CB    
160  C  CG    . PHE A 24  ? 0.2243 0.2314 0.2312 0.0034  0.0144  0.0068  34  PHE A CG    
161  C  CD1   . PHE A 24  ? 0.2360 0.2363 0.2509 0.0008  0.0128  0.0013  34  PHE A CD1   
162  C  CD2   . PHE A 24  ? 0.2227 0.2368 0.2212 0.0037  0.0144  0.0098  34  PHE A CD2   
163  C  CE1   . PHE A 24  ? 0.2269 0.2298 0.2474 -0.0014 0.0114  0.0012  34  PHE A CE1   
164  C  CE2   . PHE A 24  ? 0.2358 0.2513 0.2381 0.0023  0.0154  0.0090  34  PHE A CE2   
165  C  CZ    . PHE A 24  ? 0.2322 0.2430 0.2476 -0.0003 0.0137  0.0054  34  PHE A CZ    
166  N  N     . ILE A 25  ? 0.2275 0.2416 0.2484 0.0117  0.0182  0.0326  35  ILE A N     
167  C  CA    . ILE A 25  ? 0.2483 0.2662 0.2657 0.0133  0.0200  0.0449  35  ILE A CA    
168  C  C     . ILE A 25  ? 0.2662 0.2799 0.3003 0.0159  0.0225  0.0561  35  ILE A C     
169  O  O     . ILE A 25  ? 0.2978 0.3092 0.3377 0.0156  0.0276  0.0655  35  ILE A O     
170  C  CB    . ILE A 25  ? 0.2952 0.3216 0.2935 0.0154  0.0150  0.0478  35  ILE A CB    
171  C  CG1   . ILE A 25  ? 0.2541 0.2828 0.2393 0.0128  0.0131  0.0366  35  ILE A CG1   
172  C  CG2   . ILE A 25  ? 0.3208 0.3497 0.3091 0.0179  0.0177  0.0610  35  ILE A CG2   
173  C  CD1   . ILE A 25  ? 0.2680 0.2960 0.2487 0.0111  0.0188  0.0346  35  ILE A CD1   
174  N  N     . GLN A 26  ? 0.2479 0.2609 0.2915 0.0190  0.0196  0.0569  36  GLN A N     
175  C  CA    . GLN A 26  ? 0.2568 0.2663 0.3173 0.0229  0.0206  0.0694  36  GLN A CA    
176  C  C     . GLN A 26  ? 0.2249 0.2237 0.3089 0.0235  0.0243  0.0634  36  GLN A C     
177  O  O     . GLN A 26  ? 0.3063 0.3003 0.4084 0.0270  0.0258  0.0737  36  GLN A O     
178  C  CB    . GLN A 26  ? 0.3351 0.3536 0.3921 0.0276  0.0131  0.0773  36  GLN A CB    
179  C  CG    . GLN A 26  ? 0.4814 0.5087 0.5116 0.0274  0.0078  0.0820  36  GLN A CG    
180  C  CD    . GLN A 26  ? 0.5959 0.6326 0.6218 0.0310  -0.0034 0.0873  36  GLN A CD    
181  O  OE1   . GLN A 26  ? 0.6340 0.6716 0.6800 0.0349  -0.0068 0.0936  36  GLN A OE1   
182  N  NE2   . GLN A 26  ? 0.6732 0.7165 0.6750 0.0299  -0.0100 0.0841  36  GLN A NE2   
183  N  N     . SER A 27  ? 0.2529 0.2466 0.3360 0.0208  0.0258  0.0474  37  SER A N     
184  C  CA    . SER A 27  ? 0.2766 0.2575 0.3773 0.0215  0.0298  0.0387  37  SER A CA    
185  C  C     . SER A 27  ? 0.2604 0.2407 0.3782 0.0278  0.0316  0.0421  37  SER A C     
186  O  O     . SER A 27  ? 0.2945 0.2641 0.4337 0.0305  0.0353  0.0428  37  SER A O     
187  C  CB    . SER A 27  ? 0.3231 0.2931 0.4390 0.0185  0.0323  0.0403  37  SER A CB    
188  O  OG    . SER A 27  ? 0.3466 0.3172 0.4508 0.0127  0.0304  0.0321  37  SER A OG    
189  N  N     . TYR A 28  ? 0.2669 0.2588 0.3788 0.0302  0.0287  0.0439  38  TYR A N     
190  C  CA    A TYR A 28  ? 0.2777 0.2725 0.4090 0.0363  0.0301  0.0465  38  TYR A CA    
191  C  CA    B TYR A 28  ? 0.2773 0.2706 0.4087 0.0361  0.0310  0.0448  38  TYR A CA    
192  C  C     . TYR A 28  ? 0.2255 0.2283 0.3482 0.0356  0.0311  0.0371  38  TYR A C     
193  O  O     . TYR A 28  ? 0.2243 0.2341 0.3268 0.0314  0.0268  0.0350  38  TYR A O     
194  C  CB    A TYR A 28  ? 0.3378 0.3421 0.4774 0.0403  0.0227  0.0651  38  TYR A CB    
195  C  CB    B TYR A 28  ? 0.3079 0.3069 0.4570 0.0415  0.0261  0.0630  38  TYR A CB    
196  C  CG    A TYR A 28  ? 0.3041 0.3146 0.4686 0.0469  0.0215  0.0704  38  TYR A CG    
197  C  CG    B TYR A 28  ? 0.3072 0.3225 0.4458 0.0421  0.0163  0.0715  38  TYR A CG    
198  C  CD1   A TYR A 28  ? 0.3373 0.3388 0.5308 0.0528  0.0263  0.0748  38  TYR A CD1   
199  C  CD1   B TYR A 28  ? 0.3178 0.3381 0.4328 0.0389  0.0101  0.0781  38  TYR A CD1   
200  C  CD2   A TYR A 28  ? 0.3089 0.3342 0.4723 0.0474  0.0153  0.0710  38  TYR A CD2   
201  C  CD2   B TYR A 28  ? 0.3080 0.3335 0.4622 0.0458  0.0132  0.0723  38  TYR A CD2   
202  C  CE1   A TYR A 28  ? 0.3747 0.3831 0.5959 0.0598  0.0255  0.0801  38  TYR A CE1   
203  C  CE1   B TYR A 28  ? 0.3300 0.3633 0.4328 0.0393  -0.0002 0.0835  38  TYR A CE1   
204  C  CE2   A TYR A 28  ? 0.2944 0.3274 0.4861 0.0534  0.0136  0.0764  38  TYR A CE2   
205  C  CE2   B TYR A 28  ? 0.3132 0.3532 0.4599 0.0455  0.0018  0.0787  38  TYR A CE2   
206  C  CZ    A TYR A 28  ? 0.4398 0.4650 0.6607 0.0600  0.0191  0.0811  38  TYR A CZ    
207  C  CZ    B TYR A 28  ? 0.3160 0.3589 0.4351 0.0422  -0.0057 0.0836  38  TYR A CZ    
208  O  OH    A TYR A 28  ? 0.4529 0.4870 0.7065 0.0667  0.0177  0.0869  38  TYR A OH    
209  O  OH    B TYR A 28  ? 0.3247 0.3802 0.4335 0.0417  -0.0185 0.0876  38  TYR A OH    
210  N  N     . PHE A 29  ? 0.2880 0.2898 0.4287 0.0402  0.0378  0.0326  39  PHE A N     
211  C  CA    . PHE A 29  ? 0.3030 0.3117 0.4403 0.0398  0.0421  0.0251  39  PHE A CA    
212  C  C     . PHE A 29  ? 0.2461 0.2705 0.4053 0.0436  0.0373  0.0355  39  PHE A C     
213  O  O     . PHE A 29  ? 0.2802 0.3054 0.4672 0.0499  0.0390  0.0418  39  PHE A O     
214  C  CB    . PHE A 29  ? 0.2579 0.2546 0.3980 0.0424  0.0555  0.0114  39  PHE A CB    
215  C  CG    . PHE A 29  ? 0.2432 0.2474 0.3842 0.0433  0.0634  0.0067  39  PHE A CG    
216  C  CD1   . PHE A 29  ? 0.2477 0.2569 0.3661 0.0376  0.0611  0.0039  39  PHE A CD1   
217  C  CD2   . PHE A 29  ? 0.2805 0.2873 0.4484 0.0499  0.0737  0.0065  39  PHE A CD2   
218  C  CE1   . PHE A 29  ? 0.2885 0.3041 0.4091 0.0377  0.0695  0.0013  39  PHE A CE1   
219  C  CE2   . PHE A 29  ? 0.3253 0.3399 0.4968 0.0504  0.0832  0.0035  39  PHE A CE2   
220  C  CZ    . PHE A 29  ? 0.2737 0.2928 0.4210 0.0438  0.0810  0.0016  39  PHE A CZ    
221  N  N     . VAL A 30  ? 0.2167 0.2533 0.3664 0.0397  0.0307  0.0367  40  VAL A N     
222  C  CA    A VAL A 30  ? 0.2477 0.3004 0.4206 0.0421  0.0237  0.0451  40  VAL A CA    
223  C  CA    B VAL A 30  ? 0.2484 0.3011 0.4208 0.0420  0.0236  0.0450  40  VAL A CA    
224  C  C     . VAL A 30  ? 0.2583 0.3151 0.4521 0.0442  0.0358  0.0391  40  VAL A C     
225  O  O     . VAL A 30  ? 0.2608 0.3149 0.4397 0.0403  0.0440  0.0299  40  VAL A O     
226  C  CB    A VAL A 30  ? 0.2478 0.3111 0.4042 0.0369  0.0097  0.0483  40  VAL A CB    
227  C  CB    B VAL A 30  ? 0.2491 0.3116 0.4034 0.0364  0.0103  0.0473  40  VAL A CB    
228  C  CG1   A VAL A 30  ? 0.3300 0.3904 0.4668 0.0364  -0.0003 0.0559  40  VAL A CG1   
229  C  CG1   B VAL A 30  ? 0.2155 0.2944 0.3941 0.0382  -0.0011 0.0556  40  VAL A CG1   
230  C  CG2   A VAL A 30  ? 0.1725 0.2340 0.3086 0.0305  0.0141  0.0376  40  VAL A CG2   
231  C  CG2   B VAL A 30  ? 0.3096 0.3667 0.4386 0.0347  0.0027  0.0518  40  VAL A CG2   
232  N  N     . THR A 31  ? 0.2050 0.2692 0.4350 0.0508  0.0373  0.0457  41  THR A N     
233  C  CA    . THR A 31  ? 0.2209 0.2923 0.4789 0.0539  0.0501  0.0424  41  THR A CA    
234  C  C     . THR A 31  ? 0.2235 0.3141 0.4985 0.0504  0.0404  0.0480  41  THR A C     
235  O  O     . THR A 31  ? 0.2078 0.3035 0.4909 0.0482  0.0513  0.0432  41  THR A O     
236  C  CB    . THR A 31  ? 0.2449 0.3153 0.5401 0.0635  0.0572  0.0465  41  THR A CB    
237  O  OG1   . THR A 31  ? 0.3544 0.4043 0.6329 0.0656  0.0670  0.0382  41  THR A OG1   
238  C  CG2   . THR A 31  ? 0.3086 0.3876 0.6355 0.0674  0.0729  0.0434  41  THR A CG2   
239  N  N     . ASP A 32  ? 0.2117 0.3126 0.4921 0.0497  0.0201  0.0582  42  ASP A N     
240  C  CA    . ASP A 32  ? 0.2508 0.3698 0.5507 0.0461  0.0079  0.0623  42  ASP A CA    
241  C  C     . ASP A 32  ? 0.2107 0.3266 0.4789 0.0371  0.0067  0.0541  42  ASP A C     
242  O  O     . ASP A 32  ? 0.2268 0.3296 0.4567 0.0343  0.0072  0.0491  42  ASP A O     
243  C  CB    . ASP A 32  ? 0.2497 0.3788 0.5573 0.0479  -0.0160 0.0742  42  ASP A CB    
244  C  CG    . ASP A 32  ? 0.3540 0.4876 0.6991 0.0574  -0.0170 0.0850  42  ASP A CG    
245  O  OD1   . ASP A 32  ? 0.2963 0.4266 0.6667 0.0628  0.0017  0.0820  42  ASP A OD1   
246  O  OD2   . ASP A 32  ? 0.5191 0.6588 0.8675 0.0602  -0.0365 0.0969  42  ASP A OD2   
247  N  N     . TYR A 33  ? 0.2043 0.3319 0.4927 0.0327  0.0065  0.0529  43  TYR A N     
248  C  CA    . TYR A 33  ? 0.1824 0.3081 0.4495 0.0241  0.0047  0.0464  43  TYR A CA    
249  C  C     . TYR A 33  ? 0.1737 0.3116 0.4485 0.0200  -0.0198 0.0500  43  TYR A C     
250  O  O     . TYR A 33  ? 0.1805 0.3341 0.4946 0.0191  -0.0268 0.0541  43  TYR A O     
251  C  CB    . TYR A 33  ? 0.1902 0.3196 0.4794 0.0223  0.0232  0.0439  43  TYR A CB    
252  C  CG    . TYR A 33  ? 0.1897 0.3180 0.4683 0.0137  0.0243  0.0398  43  TYR A CG    
253  C  CD1   . TYR A 33  ? 0.2473 0.3724 0.5010 0.0077  0.0076  0.0365  43  TYR A CD1   
254  C  CD2   . TYR A 33  ? 0.2156 0.3446 0.5086 0.0124  0.0443  0.0393  43  TYR A CD2   
255  C  CE1   . TYR A 33  ? 0.2377 0.3602 0.4859 0.0001  0.0095  0.0329  43  TYR A CE1   
256  C  CE2   . TYR A 33  ? 0.2028 0.3299 0.4897 0.0049  0.0467  0.0378  43  TYR A CE2   
257  C  CZ    . TYR A 33  ? 0.1832 0.3069 0.4499 -0.0013 0.0288  0.0346  43  TYR A CZ    
258  O  OH    . TYR A 33  ? 0.3091 0.4293 0.5732 -0.0084 0.0324  0.0334  43  TYR A OH    
259  N  N     . ASP A 34  ? 0.1993 0.3301 0.4377 0.0183  -0.0331 0.0485  44  ASP A N     
260  C  CA    A ASP A 34  ? 0.2568 0.3955 0.4910 0.0149  -0.0569 0.0495  44  ASP A CA    
261  C  CA    B ASP A 34  ? 0.2567 0.3954 0.4909 0.0149  -0.0569 0.0495  44  ASP A CA    
262  C  C     . ASP A 34  ? 0.1673 0.2979 0.3735 0.0074  -0.0574 0.0395  44  ASP A C     
263  O  O     . ASP A 34  ? 0.1905 0.3084 0.3585 0.0075  -0.0541 0.0357  44  ASP A O     
264  C  CB    A ASP A 34  ? 0.2114 0.3463 0.4208 0.0198  -0.0689 0.0559  44  ASP A CB    
265  C  CB    B ASP A 34  ? 0.2115 0.3465 0.4212 0.0198  -0.0689 0.0559  44  ASP A CB    
266  C  CG    A ASP A 34  ? 0.2720 0.4148 0.5118 0.0277  -0.0719 0.0679  44  ASP A CG    
267  C  CG    B ASP A 34  ? 0.3006 0.4431 0.5014 0.0176  -0.0943 0.0571  44  ASP A CG    
268  O  OD1   A ASP A 34  ? 0.3053 0.4624 0.5880 0.0286  -0.0759 0.0715  44  ASP A OD1   
269  O  OD1   B ASP A 34  ? 0.3093 0.4620 0.5325 0.0126  -0.1051 0.0532  44  ASP A OD1   
270  O  OD2   A ASP A 34  ? 0.3789 0.5137 0.6029 0.0331  -0.0701 0.0744  44  ASP A OD2   
271  O  OD2   B ASP A 34  ? 0.3579 0.4958 0.5295 0.0209  -0.1036 0.0620  44  ASP A OD2   
272  N  N     . PRO A 35  ? 0.1668 0.3040 0.3934 0.0010  -0.0610 0.0354  45  PRO A N     
273  C  CA    . PRO A 35  ? 0.2753 0.4027 0.4788 -0.0058 -0.0596 0.0262  45  PRO A CA    
274  C  C     . PRO A 35  ? 0.1868 0.3069 0.3514 -0.0064 -0.0746 0.0210  45  PRO A C     
275  O  O     . PRO A 35  ? 0.2353 0.3620 0.3978 -0.0052 -0.0937 0.0226  45  PRO A O     
276  C  CB    . PRO A 35  ? 0.2130 0.3510 0.4543 -0.0125 -0.0655 0.0248  45  PRO A CB    
277  C  CG    . PRO A 35  ? 0.1791 0.3309 0.4657 -0.0087 -0.0570 0.0336  45  PRO A CG    
278  C  CD    . PRO A 35  ? 0.1645 0.3180 0.4425 -0.0004 -0.0632 0.0398  45  PRO A CD    
279  N  N     . THR A 36  ? 0.1976 0.3040 0.3308 -0.0078 -0.0656 0.0148  46  THR A N     
280  C  CA    . THR A 36  ? 0.2457 0.3438 0.3409 -0.0074 -0.0739 0.0094  46  THR A CA    
281  C  C     . THR A 36  ? 0.2083 0.3038 0.3000 -0.0137 -0.0851 -0.0009 46  THR A C     
282  O  O     . THR A 36  ? 0.2588 0.3524 0.3679 -0.0189 -0.0792 -0.0043 46  THR A O     
283  C  CB    . THR A 36  ? 0.2338 0.3193 0.3040 -0.0055 -0.0577 0.0079  46  THR A CB    
284  O  OG1   . THR A 36  ? 0.2047 0.2906 0.2820 -0.0006 -0.0463 0.0154  46  THR A OG1   
285  C  CG2   . THR A 36  ? 0.2446 0.3220 0.2777 -0.0041 -0.0622 0.0033  46  THR A CG2   
286  N  N     . ILE A 37  ? 0.2472 0.3418 0.3161 -0.0131 -0.1013 -0.0057 47  ILE A N     
287  C  CA    . ILE A 37  ? 0.2469 0.3332 0.3005 -0.0178 -0.1096 -0.0188 47  ILE A CA    
288  C  C     . ILE A 37  ? 0.2880 0.3607 0.3085 -0.0154 -0.0964 -0.0232 47  ILE A C     
289  O  O     . ILE A 37  ? 0.3130 0.3780 0.3381 -0.0185 -0.0864 -0.0275 47  ILE A O     
290  C  CB    . ILE A 37  ? 0.2520 0.3422 0.2930 -0.0179 -0.1330 -0.0239 47  ILE A CB    
291  C  CG1   . ILE A 37  ? 0.2528 0.3585 0.3342 -0.0206 -0.1482 -0.0191 47  ILE A CG1   
292  C  CG2   . ILE A 37  ? 0.3477 0.4270 0.3713 -0.0222 -0.1408 -0.0400 47  ILE A CG2   
293  C  CD1   . ILE A 37  ? 0.3447 0.4553 0.4127 -0.0199 -0.1742 -0.0224 47  ILE A CD1   
294  N  N     . GLU A 38  ? 0.2735 0.3435 0.2627 -0.0098 -0.0957 -0.0208 48  GLU A N     
295  C  CA    . GLU A 38  ? 0.2629 0.3226 0.2286 -0.0071 -0.0811 -0.0228 48  GLU A CA    
296  C  C     . GLU A 38  ? 0.2423 0.3028 0.1837 -0.0009 -0.0787 -0.0151 48  GLU A C     
297  O  O     . GLU A 38  ? 0.3193 0.3812 0.2403 0.0012  -0.0905 -0.0160 48  GLU A O     
298  C  CB    . GLU A 38  ? 0.3565 0.4061 0.3051 -0.0092 -0.0838 -0.0367 48  GLU A CB    
299  C  CG    . GLU A 38  ? 0.3359 0.3760 0.2722 -0.0072 -0.0680 -0.0389 48  GLU A CG    
300  C  CD    . GLU A 38  ? 0.4752 0.5049 0.4035 -0.0092 -0.0704 -0.0529 48  GLU A CD    
301  O  OE1   . GLU A 38  ? 0.4469 0.4736 0.3971 -0.0144 -0.0728 -0.0571 48  GLU A OE1   
302  O  OE2   . GLU A 38  ? 0.5278 0.5519 0.4287 -0.0053 -0.0690 -0.0596 48  GLU A OE2   
303  N  N     . ASP A 39  ? 0.2827 0.3413 0.2255 0.0018  -0.0641 -0.0076 49  ASP A N     
304  C  CA    . ASP A 39  ? 0.2845 0.3431 0.2109 0.0070  -0.0593 0.0019  49  ASP A CA    
305  C  C     . ASP A 39  ? 0.2780 0.3289 0.1911 0.0083  -0.0447 0.0001  49  ASP A C     
306  O  O     . ASP A 39  ? 0.2904 0.3370 0.2138 0.0058  -0.0375 -0.0050 49  ASP A O     
307  C  CB    . ASP A 39  ? 0.2879 0.3519 0.2368 0.0090  -0.0560 0.0137  49  ASP A CB    
308  C  CG    . ASP A 39  ? 0.3434 0.4173 0.3080 0.0096  -0.0707 0.0190  49  ASP A CG    
309  O  OD1   . ASP A 39  ? 0.3796 0.4560 0.3281 0.0101  -0.0849 0.0173  49  ASP A OD1   
310  O  OD2   . ASP A 39  ? 0.3907 0.4696 0.3839 0.0100  -0.0680 0.0246  49  ASP A OD2   
311  N  N     . SER A 40  ? 0.3203 0.3698 0.2123 0.0125  -0.0405 0.0057  50  SER A N     
312  C  CA    . SER A 40  ? 0.2822 0.3263 0.1653 0.0139  -0.0264 0.0050  50  SER A CA    
313  C  C     . SER A 40  ? 0.2777 0.3227 0.1650 0.0167  -0.0178 0.0185  50  SER A C     
314  O  O     . SER A 40  ? 0.2974 0.3456 0.1789 0.0195  -0.0225 0.0287  50  SER A O     
315  C  CB    . SER A 40  ? 0.3486 0.3893 0.2017 0.0165  -0.0259 -0.0011 50  SER A CB    
316  O  OG    . SER A 40  ? 0.5483 0.5853 0.3991 0.0139  -0.0324 -0.0156 50  SER A OG    
317  N  N     . TYR A 41  ? 0.2801 0.3219 0.1782 0.0159  -0.0064 0.0186  51  TYR A N     
318  C  CA    . TYR A 41  ? 0.2684 0.3097 0.1760 0.0173  0.0022  0.0299  51  TYR A CA    
319  C  C     . TYR A 41  ? 0.2761 0.3147 0.1851 0.0170  0.0139  0.0276  51  TYR A C     
320  O  O     . TYR A 41  ? 0.2952 0.3322 0.2025 0.0158  0.0149  0.0173  51  TYR A O     
321  C  CB    . TYR A 41  ? 0.2542 0.2946 0.1870 0.0153  0.0015  0.0314  51  TYR A CB    
322  C  CG    . TYR A 41  ? 0.2604 0.3047 0.2013 0.0158  -0.0082 0.0337  51  TYR A CG    
323  C  CD1   . TYR A 41  ? 0.2736 0.3197 0.2206 0.0131  -0.0143 0.0250  51  TYR A CD1   
324  C  CD2   . TYR A 41  ? 0.2918 0.3379 0.2390 0.0190  -0.0100 0.0458  51  TYR A CD2   
325  C  CE1   . TYR A 41  ? 0.2345 0.2860 0.1953 0.0135  -0.0220 0.0276  51  TYR A CE1   
326  C  CE2   . TYR A 41  ? 0.2882 0.3394 0.2486 0.0200  -0.0190 0.0484  51  TYR A CE2   
327  C  CZ    . TYR A 41  ? 0.3011 0.3555 0.2690 0.0172  -0.0245 0.0389  51  TYR A CZ    
328  O  OH    . TYR A 41  ? 0.3052 0.3664 0.2914 0.0181  -0.0324 0.0418  51  TYR A OH    
329  N  N     . THR A 42  ? 0.2610 0.2993 0.1765 0.0182  0.0230  0.0382  52  THR A N     
330  C  CA    A THR A 42  ? 0.2831 0.3207 0.2079 0.0175  0.0342  0.0375  52  THR A CA    
331  C  CA    B THR A 42  ? 0.2835 0.3211 0.2082 0.0175  0.0343  0.0377  52  THR A CA    
332  C  C     . THR A 42  ? 0.2853 0.3211 0.2351 0.0155  0.0387  0.0458  52  THR A C     
333  O  O     . THR A 42  ? 0.2791 0.3137 0.2329 0.0165  0.0375  0.0557  52  THR A O     
334  C  CB    A THR A 42  ? 0.2988 0.3381 0.2023 0.0214  0.0441  0.0410  52  THR A CB    
335  C  CB    B THR A 42  ? 0.2993 0.3386 0.2040 0.0214  0.0448  0.0423  52  THR A CB    
336  O  OG1   A THR A 42  ? 0.2857 0.3261 0.2039 0.0210  0.0563  0.0403  52  THR A OG1   
337  O  OG1   B THR A 42  ? 0.4379 0.4775 0.3331 0.0240  0.0480  0.0575  52  THR A OG1   
338  C  CG2   A THR A 42  ? 0.4372 0.4770 0.3280 0.0245  0.0478  0.0567  52  THR A CG2   
339  C  CG2   B THR A 42  ? 0.3015 0.3403 0.1796 0.0236  0.0405  0.0314  52  THR A CG2   
340  N  N     . LYS A 43  ? 0.2569 0.2920 0.2257 0.0128  0.0430  0.0414  53  LYS A N     
341  C  CA    . LYS A 43  ? 0.2332 0.2657 0.2281 0.0101  0.0463  0.0470  53  LYS A CA    
342  C  C     . LYS A 43  ? 0.2380 0.2732 0.2503 0.0084  0.0535  0.0452  53  LYS A C     
343  O  O     . LYS A 43  ? 0.2613 0.2982 0.2731 0.0080  0.0507  0.0354  53  LYS A O     
344  C  CB    . LYS A 43  ? 0.2400 0.2672 0.2470 0.0072  0.0368  0.0393  53  LYS A CB    
345  C  CG    . LYS A 43  ? 0.2699 0.2914 0.3012 0.0047  0.0383  0.0439  53  LYS A CG    
346  C  CD    . LYS A 43  ? 0.2705 0.2852 0.3085 0.0025  0.0300  0.0331  53  LYS A CD    
347  C  CE    . LYS A 43  ? 0.2878 0.2944 0.3481 0.0008  0.0310  0.0361  53  LYS A CE    
348  N  NZ    . LYS A 43  ? 0.2999 0.2984 0.3609 -0.0003 0.0242  0.0238  53  LYS A NZ    
349  N  N     . GLN A 44  ? 0.2213 0.2571 0.2532 0.0071  0.0624  0.0555  54  GLN A N     
350  C  CA    . GLN A 44  ? 0.2254 0.2651 0.2841 0.0046  0.0686  0.0550  54  GLN A CA    
351  C  C     . GLN A 44  ? 0.2665 0.3014 0.3519 -0.0008 0.0584  0.0485  54  GLN A C     
352  O  O     . GLN A 44  ? 0.2727 0.3011 0.3681 -0.0028 0.0562  0.0526  54  GLN A O     
353  C  CB    . GLN A 44  ? 0.2794 0.3223 0.3487 0.0054  0.0843  0.0704  54  GLN A CB    
354  C  CG    . GLN A 44  ? 0.3560 0.4027 0.3958 0.0111  0.0963  0.0771  54  GLN A CG    
355  C  CD    . GLN A 44  ? 0.4853 0.5384 0.5238 0.0135  0.1037  0.0694  54  GLN A CD    
356  O  OE1   . GLN A 44  ? 0.4050 0.4612 0.4707 0.0107  0.1005  0.0618  54  GLN A OE1   
357  N  NE2   . GLN A 44  ? 0.5102 0.5647 0.5170 0.0191  0.1129  0.0709  54  GLN A NE2   
358  N  N     . CYS A 45  ? 0.2398 0.2765 0.3355 -0.0027 0.0516  0.0382  55  CYS A N     
359  C  CA    . CYS A 45  ? 0.2357 0.2670 0.3489 -0.0073 0.0389  0.0294  55  CYS A CA    
360  C  C     . CYS A 45  ? 0.2790 0.3165 0.4235 -0.0102 0.0381  0.0279  55  CYS A C     
361  O  O     . CYS A 45  ? 0.2458 0.2923 0.3973 -0.0078 0.0475  0.0318  55  CYS A O     
362  C  CB    . CYS A 45  ? 0.2324 0.2591 0.3235 -0.0066 0.0267  0.0177  55  CYS A CB    
363  S  SG    . CYS A 45  ? 0.2778 0.2994 0.3394 -0.0036 0.0259  0.0178  55  CYS A SG    
364  N  N     . VAL A 46  ? 0.2136 0.2461 0.3784 -0.0152 0.0264  0.0216  56  VAL A N     
365  C  CA    . VAL A 46  ? 0.1834 0.2216 0.3803 -0.0187 0.0193  0.0178  56  VAL A CA    
366  C  C     . VAL A 46  ? 0.2873 0.3186 0.4709 -0.0199 0.0003  0.0047  56  VAL A C     
367  O  O     . VAL A 46  ? 0.3428 0.3630 0.5176 -0.0224 -0.0084 -0.0019 56  VAL A O     
368  C  CB    . VAL A 46  ? 0.2001 0.2382 0.4375 -0.0246 0.0210  0.0228  56  VAL A CB    
369  C  CG1   . VAL A 46  ? 0.2270 0.2722 0.5013 -0.0286 0.0104  0.0180  56  VAL A CG1   
370  C  CG2   . VAL A 46  ? 0.2444 0.2893 0.4936 -0.0230 0.0419  0.0385  56  VAL A CG2   
371  N  N     . ILE A 47  ? 0.2218 0.2585 0.4018 -0.0175 -0.0053 0.0012  57  ILE A N     
372  C  CA    . ILE A 47  ? 0.1927 0.2225 0.3543 -0.0177 -0.0224 -0.0088 57  ILE A CA    
373  C  C     . ILE A 47  ? 0.2136 0.2499 0.4051 -0.0197 -0.0351 -0.0112 57  ILE A C     
374  O  O     . ILE A 47  ? 0.2191 0.2664 0.4287 -0.0169 -0.0294 -0.0064 57  ILE A O     
375  C  CB    . ILE A 47  ? 0.2169 0.2456 0.3452 -0.0125 -0.0192 -0.0092 57  ILE A CB    
376  C  CG1   . ILE A 47  ? 0.2487 0.2723 0.3533 -0.0111 -0.0092 -0.0067 57  ILE A CG1   
377  C  CG2   . ILE A 47  ? 0.2343 0.2553 0.3432 -0.0125 -0.0348 -0.0167 57  ILE A CG2   
378  C  CD1   . ILE A 47  ? 0.2562 0.2817 0.3366 -0.0065 -0.0023 -0.0050 57  ILE A CD1   
379  N  N     . ASP A 48  ? 0.2084 0.2379 0.4071 -0.0245 -0.0525 -0.0191 58  ASP A N     
380  C  CA    . ASP A 48  ? 0.2012 0.2372 0.4323 -0.0273 -0.0685 -0.0216 58  ASP A CA    
381  C  C     . ASP A 48  ? 0.2085 0.2589 0.4892 -0.0291 -0.0571 -0.0129 58  ASP A C     
382  O  O     . ASP A 48  ? 0.2010 0.2636 0.5104 -0.0276 -0.0595 -0.0097 58  ASP A O     
383  C  CB    . ASP A 48  ? 0.2109 0.2489 0.4277 -0.0229 -0.0798 -0.0229 58  ASP A CB    
384  C  CG    . ASP A 48  ? 0.3305 0.3542 0.4986 -0.0212 -0.0886 -0.0293 58  ASP A CG    
385  O  OD1   . ASP A 48  ? 0.3504 0.3626 0.5007 -0.0242 -0.0930 -0.0364 58  ASP A OD1   
386  O  OD2   . ASP A 48  ? 0.3070 0.3309 0.4564 -0.0166 -0.0901 -0.0269 58  ASP A OD2   
387  N  N     . ASP A 49  ? 0.1988 0.2480 0.4916 -0.0319 -0.0433 -0.0079 59  ASP A N     
388  C  CA    . ASP A 49  ? 0.1699 0.2312 0.5084 -0.0341 -0.0285 0.0026  59  ASP A CA    
389  C  C     . ASP A 49  ? 0.1763 0.2497 0.5138 -0.0273 -0.0079 0.0121  59  ASP A C     
390  O  O     . ASP A 49  ? 0.1673 0.2523 0.5414 -0.0278 0.0067  0.0214  59  ASP A O     
391  C  CB    . ASP A 49  ? 0.1760 0.2448 0.5676 -0.0406 -0.0433 0.0002  59  ASP A CB    
392  C  CG    . ASP A 49  ? 0.2031 0.2600 0.6071 -0.0486 -0.0549 -0.0065 59  ASP A CG    
393  O  OD1   . ASP A 49  ? 0.2364 0.2857 0.6319 -0.0494 -0.0404 -0.0015 59  ASP A OD1   
394  O  OD2   . ASP A 49  ? 0.3291 0.3806 0.7402 -0.0515 -0.0771 -0.0165 59  ASP A OD2   
395  N  N     . ARG A 50  ? 0.2073 0.2769 0.5027 -0.0210 -0.0049 0.0099  60  ARG A N     
396  C  CA    . ARG A 50  ? 0.1873 0.2653 0.4765 -0.0142 0.0127  0.0155  60  ARG A CA    
397  C  C     . ARG A 50  ? 0.1601 0.2315 0.4085 -0.0108 0.0270  0.0189  60  ARG A C     
398  O  O     . ARG A 50  ? 0.2013 0.2628 0.4126 -0.0097 0.0193  0.0131  60  ARG A O     
399  C  CB    . ARG A 50  ? 0.1556 0.2346 0.4359 -0.0099 0.0011  0.0092  60  ARG A CB    
400  C  CG    . ARG A 50  ? 0.2165 0.3032 0.4968 -0.0025 0.0171  0.0122  60  ARG A CG    
401  C  CD    . ARG A 50  ? 0.2126 0.2982 0.4905 0.0010  0.0019  0.0064  60  ARG A CD    
402  N  NE    . ARG A 50  ? 0.2308 0.3182 0.4981 0.0086  0.0155  0.0062  60  ARG A NE    
403  C  CZ    . ARG A 50  ? 0.2664 0.3514 0.5301 0.0129  0.0066  0.0026  60  ARG A CZ    
404  N  NH1   . ARG A 50  ? 0.2574 0.3384 0.5231 0.0108  -0.0160 0.0004  60  ARG A NH1   
405  N  NH2   . ARG A 50  ? 0.2859 0.3707 0.5409 0.0197  0.0204  0.0009  60  ARG A NH2   
406  N  N     . ALA A 51  ? 0.1986 0.2756 0.4546 -0.0093 0.0477  0.0290  61  ALA A N     
407  C  CA    . ALA A 51  ? 0.2114 0.2821 0.4303 -0.0066 0.0589  0.0337  61  ALA A CA    
408  C  C     . ALA A 51  ? 0.2059 0.2750 0.3879 -0.0002 0.0610  0.0283  61  ALA A C     
409  O  O     . ALA A 51  ? 0.2524 0.3276 0.4422 0.0038  0.0651  0.0255  61  ALA A O     
410  C  CB    . ALA A 51  ? 0.1870 0.2641 0.4196 -0.0056 0.0810  0.0472  61  ALA A CB    
411  N  N     . ALA A 52  ? 0.2203 0.2810 0.3655 0.0009  0.0585  0.0270  62  ALA A N     
412  C  CA    . ALA A 52  ? 0.2701 0.3282 0.3826 0.0058  0.0588  0.0212  62  ALA A CA    
413  C  C     . ALA A 52  ? 0.2835 0.3365 0.3645 0.0070  0.0625  0.0253  62  ALA A C     
414  O  O     . ALA A 52  ? 0.2653 0.3134 0.3459 0.0037  0.0571  0.0283  62  ALA A O     
415  C  CB    . ALA A 52  ? 0.3607 0.4131 0.4658 0.0045  0.0413  0.0114  62  ALA A CB    
416  N  N     . ARG A 53  ? 0.2316 0.2853 0.2874 0.0119  0.0712  0.0251  63  ARG A N     
417  C  CA    . ARG A 53  ? 0.1939 0.2427 0.2172 0.0132  0.0691  0.0268  63  ARG A CA    
418  C  C     . ARG A 53  ? 0.2444 0.2881 0.2508 0.0130  0.0557  0.0162  63  ARG A C     
419  O  O     . ARG A 53  ? 0.2285 0.2720 0.2321 0.0150  0.0548  0.0082  63  ARG A O     
420  C  CB    . ARG A 53  ? 0.2172 0.2683 0.2182 0.0183  0.0834  0.0317  63  ARG A CB    
421  C  CG    . ARG A 53  ? 0.2818 0.3288 0.2512 0.0197  0.0788  0.0354  63  ARG A CG    
422  C  CD    . ARG A 53  ? 0.3156 0.3633 0.2550 0.0252  0.0900  0.0382  63  ARG A CD    
423  N  NE    . ARG A 53  ? 0.3014 0.3463 0.2198 0.0278  0.0853  0.0240  63  ARG A NE    
424  C  CZ    . ARG A 53  ? 0.2933 0.3386 0.2025 0.0324  0.0967  0.0178  63  ARG A CZ    
425  N  NH1   . ARG A 53  ? 0.3342 0.3843 0.2538 0.0353  0.1154  0.0249  63  ARG A NH1   
426  N  NH2   . ARG A 53  ? 0.3462 0.3866 0.2376 0.0343  0.0902  0.0037  63  ARG A NH2   
427  N  N     . LEU A 54  ? 0.2252 0.2646 0.2235 0.0107  0.0466  0.0167  64  LEU A N     
428  C  CA    . LEU A 54  ? 0.2262 0.2613 0.2114 0.0099  0.0357  0.0087  64  LEU A CA    
429  C  C     . LEU A 54  ? 0.2450 0.2797 0.2053 0.0121  0.0347  0.0095  64  LEU A C     
430  O  O     . LEU A 54  ? 0.2667 0.3017 0.2228 0.0122  0.0343  0.0169  64  LEU A O     
431  C  CB    . LEU A 54  ? 0.2673 0.2981 0.2620 0.0063  0.0272  0.0078  64  LEU A CB    
432  C  CG    . LEU A 54  ? 0.2630 0.2917 0.2740 0.0037  0.0212  0.0029  64  LEU A CG    
433  C  CD1   . LEU A 54  ? 0.3198 0.3537 0.3539 0.0035  0.0267  0.0058  64  LEU A CD1   
434  C  CD2   . LEU A 54  ? 0.2968 0.3196 0.3109 0.0008  0.0144  0.0013  64  LEU A CD2   
435  N  N     . ASP A 55  ? 0.2439 0.2776 0.1899 0.0140  0.0334  0.0019  65  ASP A N     
436  C  CA    . ASP A 55  ? 0.2821 0.3150 0.2055 0.0153  0.0285  -0.0001 65  ASP A CA    
437  C  C     . ASP A 55  ? 0.2660 0.2961 0.1929 0.0121  0.0173  -0.0057 65  ASP A C     
438  O  O     . ASP A 55  ? 0.3046 0.3314 0.2358 0.0111  0.0147  -0.0131 65  ASP A O     
439  C  CB    . ASP A 55  ? 0.2868 0.3185 0.1928 0.0189  0.0334  -0.0072 65  ASP A CB    
440  C  CG    . ASP A 55  ? 0.3384 0.3731 0.2389 0.0228  0.0478  -0.0010 65  ASP A CG    
441  O  OD1   . ASP A 55  ? 0.3208 0.3586 0.2263 0.0226  0.0527  0.0111  65  ASP A OD1   
442  O  OD2   . ASP A 55  ? 0.3745 0.4079 0.2666 0.0264  0.0555  -0.0077 65  ASP A OD2   
443  N  N     . ILE A 56  ? 0.2496 0.2810 0.1768 0.0108  0.0119  -0.0009 66  ILE A N     
444  C  CA    A ILE A 56  ? 0.2733 0.3033 0.2081 0.0079  0.0045  -0.0041 66  ILE A CA    
445  C  CA    B ILE A 56  ? 0.2732 0.3033 0.2081 0.0078  0.0045  -0.0039 66  ILE A CA    
446  C  C     . ILE A 56  ? 0.2369 0.2687 0.1623 0.0076  -0.0035 -0.0069 66  ILE A C     
447  O  O     . ILE A 56  ? 0.2822 0.3176 0.1979 0.0096  -0.0063 -0.0022 66  ILE A O     
448  C  CB    A ILE A 56  ? 0.2540 0.2840 0.2014 0.0069  0.0051  0.0019  66  ILE A CB    
449  C  CB    B ILE A 56  ? 0.2552 0.2856 0.2023 0.0070  0.0050  0.0026  66  ILE A CB    
450  C  CG1   A ILE A 56  ? 0.3208 0.3477 0.2786 0.0060  0.0098  0.0019  66  ILE A CG1   
451  C  CG1   B ILE A 56  ? 0.3352 0.3636 0.2924 0.0069  0.0111  0.0054  66  ILE A CG1   
452  C  CG2   A ILE A 56  ? 0.2957 0.3250 0.2493 0.0047  0.0002  -0.0007 66  ILE A CG2   
453  C  CG2   B ILE A 56  ? 0.2967 0.3251 0.2514 0.0046  0.0011  -0.0010 66  ILE A CG2   
454  C  CD1   A ILE A 56  ? 0.3175 0.3428 0.2860 0.0056  0.0111  0.0065  66  ILE A CD1   
455  C  CD1   B ILE A 56  ? 0.2268 0.2517 0.1900 0.0052  0.0107  -0.0007 66  ILE A CD1   
456  N  N     . LEU A 57  ? 0.2271 0.2562 0.1562 0.0050  -0.0082 -0.0141 67  LEU A N     
457  C  CA    . LEU A 57  ? 0.2760 0.3071 0.2043 0.0032  -0.0175 -0.0175 67  LEU A CA    
458  C  C     . LEU A 57  ? 0.2437 0.2769 0.1903 0.0002  -0.0193 -0.0143 67  LEU A C     
459  O  O     . LEU A 57  ? 0.2316 0.2606 0.1864 -0.0017 -0.0152 -0.0152 67  LEU A O     
460  C  CB    . LEU A 57  ? 0.2608 0.2864 0.1840 0.0020  -0.0206 -0.0280 67  LEU A CB    
461  C  CG    . LEU A 57  ? 0.3074 0.3350 0.2277 0.0000  -0.0321 -0.0328 67  LEU A CG    
462  C  CD1   . LEU A 57  ? 0.3802 0.4101 0.2768 0.0038  -0.0355 -0.0328 67  LEU A CD1   
463  C  CD2   . LEU A 57  ? 0.3634 0.3834 0.2874 -0.0027 -0.0353 -0.0436 67  LEU A CD2   
464  N  N     . ASP A 58  ? 0.2422 0.2819 0.1948 0.0006  -0.0245 -0.0093 68  ASP A N     
465  C  CA    . ASP A 58  ? 0.2074 0.2509 0.1801 -0.0012 -0.0246 -0.0058 68  ASP A CA    
466  C  C     . ASP A 58  ? 0.2305 0.2777 0.2130 -0.0047 -0.0341 -0.0100 68  ASP A C     
467  O  O     . ASP A 58  ? 0.2714 0.3235 0.2496 -0.0042 -0.0447 -0.0107 68  ASP A O     
468  C  CB    . ASP A 58  ? 0.2262 0.2752 0.2049 0.0021  -0.0246 0.0027  68  ASP A CB    
469  C  CG    . ASP A 58  ? 0.2374 0.2907 0.2394 0.0016  -0.0222 0.0061  68  ASP A CG    
470  O  OD1   . ASP A 58  ? 0.2369 0.2871 0.2459 -0.0010 -0.0166 0.0029  68  ASP A OD1   
471  O  OD2   . ASP A 58  ? 0.2532 0.3125 0.2658 0.0045  -0.0252 0.0127  68  ASP A OD2   
472  N  N     . THR A 59  ? 0.2215 0.2658 0.2166 -0.0086 -0.0311 -0.0127 69  THR A N     
473  C  CA    . THR A 59  ? 0.1927 0.2376 0.1991 -0.0132 -0.0394 -0.0181 69  THR A CA    
474  C  C     . THR A 59  ? 0.2261 0.2795 0.2613 -0.0159 -0.0401 -0.0131 69  THR A C     
475  O  O     . THR A 59  ? 0.2538 0.3113 0.2981 -0.0136 -0.0320 -0.0062 69  THR A O     
476  C  CB    . THR A 59  ? 0.2064 0.2411 0.2111 -0.0159 -0.0353 -0.0231 69  THR A CB    
477  O  OG1   . THR A 59  ? 0.2404 0.2723 0.2530 -0.0166 -0.0243 -0.0172 69  THR A OG1   
478  C  CG2   . THR A 59  ? 0.2367 0.2639 0.2182 -0.0127 -0.0337 -0.0285 69  THR A CG2   
479  N  N     . ALA A 60  ? 0.2070 0.2625 0.2590 -0.0210 -0.0486 -0.0172 70  ALA A N     
480  C  CA    . ALA A 60  ? 0.1956 0.2615 0.2814 -0.0243 -0.0506 -0.0125 70  ALA A CA    
481  C  C     . ALA A 60  ? 0.2885 0.3508 0.3903 -0.0273 -0.0361 -0.0081 70  ALA A C     
482  O  O     . ALA A 60  ? 0.2526 0.3048 0.3493 -0.0304 -0.0335 -0.0113 70  ALA A O     
483  C  CB    . ALA A 60  ? 0.2393 0.3088 0.3374 -0.0292 -0.0685 -0.0197 70  ALA A CB    
484  N  N     . GLY A 61  ? 0.2510 0.3207 0.3720 -0.0258 -0.0259 -0.0002 71  GLY A N     
485  C  CA    . GLY A 61  ? 0.2287 0.2957 0.3647 -0.0287 -0.0111 0.0050  71  GLY A CA    
486  C  C     . GLY A 61  ? 0.3178 0.3940 0.4933 -0.0350 -0.0157 0.0068  71  GLY A C     
487  O  O     . GLY A 61  ? 0.3195 0.3923 0.5099 -0.0393 -0.0056 0.0111  71  GLY A O     
488  N  N     . GLN A 62  ? 0.2381 0.3255 0.4307 -0.0360 -0.0323 0.0040  72  GLN A N     
489  C  CA    . GLN A 62  ? 0.3147 0.4126 0.5502 -0.0426 -0.0405 0.0047  72  GLN A CA    
490  C  C     . GLN A 62  ? 0.3295 0.4176 0.5657 -0.0499 -0.0502 -0.0032 72  GLN A C     
491  O  O     . GLN A 62  ? 0.3093 0.3890 0.5174 -0.0493 -0.0629 -0.0131 72  GLN A O     
492  C  CB    . GLN A 62  ? 0.3371 0.4490 0.5874 -0.0412 -0.0597 0.0033  72  GLN A CB    
493  C  CG    . GLN A 62  ? 0.4404 0.5661 0.7143 -0.0358 -0.0517 0.0128  72  GLN A CG    
494  C  CD    . GLN A 62  ? 0.6012 0.7410 0.8929 -0.0346 -0.0740 0.0127  72  GLN A CD    
495  O  OE1   . GLN A 62  ? 0.6707 0.8066 0.9353 -0.0342 -0.0927 0.0059  72  GLN A OE1   
496  N  NE2   . GLN A 62  ? 0.5237 0.6801 0.8614 -0.0338 -0.0724 0.0206  72  GLN A NE2   
497  N  N     . GLU A 63  ? 0.3752 0.4646 0.6466 -0.0568 -0.0436 0.0013  73  GLU A N     
498  C  CA    . GLU A 63  ? 0.4476 0.5255 0.7246 -0.0640 -0.0506 -0.0053 73  GLU A CA    
499  C  C     . GLU A 63  ? 0.4391 0.5192 0.7218 -0.0680 -0.0773 -0.0187 73  GLU A C     
500  O  O     . GLU A 63  ? 0.4550 0.5213 0.7255 -0.0712 -0.0858 -0.0291 73  GLU A O     
501  C  CB    . GLU A 63  ? 0.4835 0.5629 0.8021 -0.0711 -0.0371 0.0046  73  GLU A CB    
502  C  CG    . GLU A 63  ? 0.5980 0.6687 0.9004 -0.0677 -0.0108 0.0166  73  GLU A CG    
503  C  CD    . GLU A 63  ? 0.6713 0.7222 0.9329 -0.0654 -0.0089 0.0130  73  GLU A CD    
504  O  OE1   . GLU A 63  ? 0.7188 0.7597 0.9803 -0.0695 -0.0220 0.0039  73  GLU A OE1   
505  O  OE2   . GLU A 63  ? 0.6837 0.7286 0.9146 -0.0592 0.0055  0.0189  73  GLU A OE2   
506  N  N     . GLU A 64  ? 0.3779 0.4741 0.6777 -0.0672 -0.0912 -0.0189 74  GLU A N     
507  C  CA    . GLU A 64  ? 0.4150 0.5131 0.7138 -0.0702 -0.1191 -0.0320 74  GLU A CA    
508  C  C     . GLU A 64  ? 0.4258 0.5077 0.6716 -0.0662 -0.1263 -0.0447 74  GLU A C     
509  O  O     . GLU A 64  ? 0.3947 0.4691 0.6351 -0.0704 -0.1443 -0.0589 74  GLU A O     
510  C  CB    . GLU A 64  ? 0.4365 0.5533 0.7476 -0.0663 -0.1316 -0.0275 74  GLU A CB    
511  C  CG    . GLU A 64  ? 0.5762 0.6920 0.8701 -0.0661 -0.1567 -0.0383 74  GLU A CG    
512  C  CD    . GLU A 64  ? 0.6938 0.8261 0.9987 -0.0611 -0.1664 -0.0306 74  GLU A CD    
513  O  OE1   . GLU A 64  ? 0.6107 0.7551 0.9411 -0.0578 -0.1530 -0.0176 74  GLU A OE1   
514  O  OE2   . GLU A 64  ? 0.6024 0.7347 0.8896 -0.0601 -0.1865 -0.0374 74  GLU A OE2   
515  N  N     . PHE A 65  ? 0.3783 0.4544 0.5863 -0.0582 -0.1119 -0.0405 75  PHE A N     
516  C  CA    . PHE A 65  ? 0.4233 0.4866 0.5843 -0.0535 -0.1159 -0.0507 75  PHE A CA    
517  C  C     . PHE A 65  ? 0.4600 0.5067 0.6066 -0.0533 -0.1009 -0.0523 75  PHE A C     
518  O  O     . PHE A 65  ? 0.4155 0.4531 0.5259 -0.0477 -0.0969 -0.0567 75  PHE A O     
519  C  CB    . PHE A 65  ? 0.3986 0.4678 0.5295 -0.0448 -0.1145 -0.0454 75  PHE A CB    
520  C  CG    . PHE A 65  ? 0.3757 0.4610 0.5226 -0.0443 -0.1309 -0.0419 75  PHE A CG    
521  C  CD1   . PHE A 65  ? 0.4362 0.5222 0.5721 -0.0457 -0.1548 -0.0526 75  PHE A CD1   
522  C  CD2   . PHE A 65  ? 0.4200 0.5190 0.5942 -0.0421 -0.1230 -0.0285 75  PHE A CD2   
523  C  CE1   . PHE A 65  ? 0.4600 0.5613 0.6117 -0.0450 -0.1727 -0.0481 75  PHE A CE1   
524  C  CE2   . PHE A 65  ? 0.5161 0.6307 0.7106 -0.0411 -0.1388 -0.0241 75  PHE A CE2   
525  C  CZ    . PHE A 65  ? 0.5190 0.6353 0.7025 -0.0426 -0.1648 -0.0331 75  PHE A CZ    
526  N  N     . GLY A 66  ? 0.4882 0.5315 0.6658 -0.0595 -0.0928 -0.0477 76  GLY A N     
527  C  CA    . GLY A 66  ? 0.3811 0.4085 0.5493 -0.0594 -0.0800 -0.0470 76  GLY A CA    
528  C  C     . GLY A 66  ? 0.4199 0.4320 0.5664 -0.0588 -0.0891 -0.0625 76  GLY A C     
529  O  O     . GLY A 66  ? 0.4542 0.4546 0.5801 -0.0547 -0.0791 -0.0625 76  GLY A O     
530  N  N     . ALA A 67  ? 0.4278 0.4397 0.5769 -0.0622 -0.1084 -0.0766 77  ALA A N     
531  C  CA    . ALA A 67  ? 0.4992 0.4944 0.6282 -0.0614 -0.1158 -0.0937 77  ALA A CA    
532  C  C     . ALA A 67  ? 0.4881 0.4798 0.5705 -0.0518 -0.1110 -0.0980 77  ALA A C     
533  O  O     . ALA A 67  ? 0.5196 0.4966 0.5842 -0.0490 -0.1093 -0.1092 77  ALA A O     
534  C  CB    . ALA A 67  ? 0.4849 0.4788 0.6272 -0.0678 -0.1384 -0.1096 77  ALA A CB    
535  N  N     . MET A 68  ? 0.4504 0.4547 0.5158 -0.0465 -0.1074 -0.0887 78  MET A N     
536  C  CA    . MET A 68  ? 0.4376 0.4392 0.4634 -0.0380 -0.1010 -0.0906 78  MET A CA    
537  C  C     . MET A 68  ? 0.4075 0.4029 0.4277 -0.0339 -0.0826 -0.0829 78  MET A C     
538  O  O     . MET A 68  ? 0.4147 0.4071 0.4077 -0.0274 -0.0762 -0.0850 78  MET A O     
539  C  CB    . MET A 68  ? 0.4048 0.4210 0.4174 -0.0340 -0.1036 -0.0821 78  MET A CB    
540  C  CG    . MET A 68  ? 0.4586 0.4833 0.4783 -0.0374 -0.1243 -0.0872 78  MET A CG    
541  S  SD    . MET A 68  ? 0.5111 0.5532 0.5244 -0.0324 -0.1269 -0.0728 78  MET A SD    
542  C  CE    . MET A 68  ? 0.4767 0.5119 0.4387 -0.0232 -0.1186 -0.0744 78  MET A CE    
543  N  N     . ARG A 69  ? 0.4060 0.3996 0.4509 -0.0375 -0.0740 -0.0733 79  ARG A N     
544  C  CA    . ARG A 69  ? 0.3692 0.3575 0.4062 -0.0333 -0.0593 -0.0651 79  ARG A CA    
545  C  C     . ARG A 69  ? 0.3911 0.3654 0.4160 -0.0299 -0.0574 -0.0750 79  ARG A C     
546  O  O     . ARG A 69  ? 0.3698 0.3430 0.3778 -0.0238 -0.0490 -0.0724 79  ARG A O     
547  C  CB    . ARG A 69  ? 0.3569 0.3449 0.4176 -0.0373 -0.0506 -0.0521 79  ARG A CB    
548  C  CG    . ARG A 69  ? 0.3597 0.3618 0.4352 -0.0397 -0.0493 -0.0427 79  ARG A CG    
549  C  CD    . ARG A 69  ? 0.3937 0.3956 0.4841 -0.0416 -0.0360 -0.0287 79  ARG A CD    
550  N  NE    . ARG A 69  ? 0.4018 0.4177 0.5085 -0.0431 -0.0339 -0.0218 79  ARG A NE    
551  C  CZ    . ARG A 69  ? 0.5054 0.5248 0.6338 -0.0462 -0.0234 -0.0110 79  ARG A CZ    
552  N  NH1   . ARG A 69  ? 0.4256 0.4349 0.5594 -0.0485 -0.0139 -0.0040 79  ARG A NH1   
553  N  NH2   . ARG A 69  ? 0.4211 0.4545 0.5659 -0.0463 -0.0212 -0.0061 79  ARG A NH2   
554  N  N     . GLU A 70  ? 0.3810 0.3443 0.4171 -0.0335 -0.0649 -0.0867 80  GLU A N     
555  C  CA    . GLU A 70  ? 0.4230 0.3716 0.4523 -0.0294 -0.0612 -0.0958 80  GLU A CA    
556  C  C     . GLU A 70  ? 0.5182 0.4686 0.5158 -0.0213 -0.0577 -0.1028 80  GLU A C     
557  O  O     . GLU A 70  ? 0.4204 0.3666 0.4118 -0.0155 -0.0478 -0.1010 80  GLU A O     
558  C  CB    . GLU A 70  ? 0.4789 0.4139 0.5237 -0.0342 -0.0710 -0.1107 80  GLU A CB    
559  C  CG    . GLU A 70  ? 0.5862 0.5046 0.6260 -0.0287 -0.0659 -0.1213 80  GLU A CG    
560  C  CD    . GLU A 70  ? 0.7855 0.6888 0.8572 -0.0331 -0.0656 -0.1197 80  GLU A CD    
561  O  OE1   . GLU A 70  ? 0.8404 0.7453 0.9376 -0.0414 -0.0700 -0.1126 80  GLU A OE1   
562  O  OE2   . GLU A 70  ? 0.8232 0.7129 0.8967 -0.0280 -0.0601 -0.1246 80  GLU A OE2   
563  N  N     . GLN A 71  ? 0.4628 0.4205 0.4415 -0.0209 -0.0655 -0.1093 81  GLN A N     
564  C  CA    . GLN A 71  ? 0.4750 0.4347 0.4216 -0.0134 -0.0609 -0.1145 81  GLN A CA    
565  C  C     . GLN A 71  ? 0.4371 0.4058 0.3783 -0.0088 -0.0483 -0.0997 81  GLN A C     
566  O  O     . GLN A 71  ? 0.3974 0.3630 0.3290 -0.0028 -0.0381 -0.1010 81  GLN A O     
567  C  CB    . GLN A 71  ? 0.5573 0.5238 0.4845 -0.0143 -0.0733 -0.1202 81  GLN A CB    
568  C  CG    . GLN A 71  ? 0.6621 0.6287 0.5518 -0.0066 -0.0682 -0.1254 81  GLN A CG    
569  C  CD    . GLN A 71  ? 0.6751 0.6268 0.5534 -0.0020 -0.0619 -0.1415 81  GLN A CD    
570  O  OE1   . GLN A 71  ? 0.8926 0.8325 0.7732 -0.0049 -0.0716 -0.1577 81  GLN A OE1   
571  N  NE2   . GLN A 71  ? 0.7344 0.6860 0.6042 0.0050  -0.0455 -0.1378 81  GLN A NE2   
572  N  N     . TYR A 72  ? 0.4027 0.3825 0.3523 -0.0115 -0.0487 -0.0863 82  TYR A N     
573  C  CA    . TYR A 72  ? 0.3612 0.3481 0.3048 -0.0074 -0.0383 -0.0746 82  TYR A CA    
574  C  C     . TYR A 72  ? 0.3575 0.3390 0.3149 -0.0066 -0.0303 -0.0690 82  TYR A C     
575  O  O     . TYR A 72  ? 0.3080 0.2916 0.2603 -0.0023 -0.0224 -0.0642 82  TYR A O     
576  C  CB    . TYR A 72  ? 0.3231 0.3220 0.2694 -0.0093 -0.0406 -0.0637 82  TYR A CB    
577  C  CG    . TYR A 72  ? 0.3046 0.3065 0.2741 -0.0144 -0.0412 -0.0553 82  TYR A CG    
578  C  CD1   . TYR A 72  ? 0.3153 0.3137 0.2938 -0.0145 -0.0328 -0.0478 82  TYR A CD1   
579  C  CD2   . TYR A 72  ? 0.3040 0.3131 0.2860 -0.0186 -0.0496 -0.0538 82  TYR A CD2   
580  C  CE1   . TYR A 72  ? 0.3363 0.3369 0.3313 -0.0183 -0.0306 -0.0394 82  TYR A CE1   
581  C  CE2   . TYR A 72  ? 0.2644 0.2772 0.2692 -0.0226 -0.0468 -0.0454 82  TYR A CE2   
582  C  CZ    . TYR A 72  ? 0.2438 0.2520 0.2527 -0.0223 -0.0361 -0.0381 82  TYR A CZ    
583  O  OH    . TYR A 72  ? 0.3270 0.3379 0.3542 -0.0256 -0.0307 -0.0293 82  TYR A OH    
584  N  N     . MET A 73  ? 0.3254 0.2991 0.3012 -0.0107 -0.0329 -0.0693 83  MET A N     
585  C  CA    . MET A 73  ? 0.3154 0.2831 0.3018 -0.0093 -0.0269 -0.0623 83  MET A CA    
586  C  C     . MET A 73  ? 0.3978 0.3572 0.3820 -0.0038 -0.0232 -0.0705 83  MET A C     
587  O  O     . MET A 73  ? 0.3682 0.3272 0.3562 -0.0001 -0.0179 -0.0644 83  MET A O     
588  C  CB    . MET A 73  ? 0.3311 0.2924 0.3378 -0.0151 -0.0294 -0.0573 83  MET A CB    
589  C  CG    . MET A 73  ? 0.2843 0.2550 0.2950 -0.0189 -0.0280 -0.0459 83  MET A CG    
590  S  SD    . MET A 73  ? 0.3081 0.2722 0.3433 -0.0257 -0.0271 -0.0374 83  MET A SD    
591  C  CE    . MET A 73  ? 0.2890 0.2668 0.3235 -0.0274 -0.0221 -0.0266 83  MET A CE    
592  N  N     . ARG A 74  ? 0.3480 0.3011 0.3262 -0.0029 -0.0263 -0.0849 84  ARG A N     
593  C  CA    . ARG A 74  ? 0.3822 0.3271 0.3585 0.0035  -0.0204 -0.0944 84  ARG A CA    
594  C  C     . ARG A 74  ? 0.3821 0.3363 0.3457 0.0098  -0.0110 -0.0907 84  ARG A C     
595  O  O     . ARG A 74  ? 0.4319 0.3844 0.4059 0.0147  -0.0041 -0.0885 84  ARG A O     
596  C  CB    . ARG A 74  ? 0.4044 0.3400 0.3713 0.0037  -0.0249 -0.1128 84  ARG A CB    
597  C  CG    . ARG A 74  ? 0.5965 0.5181 0.5847 -0.0009 -0.0317 -0.1190 84  ARG A CG    
598  C  CD    . ARG A 74  ? 0.6719 0.5803 0.6510 0.0017  -0.0341 -0.1407 84  ARG A CD    
599  N  NE    . ARG A 74  ? 0.6975 0.6120 0.6473 0.0015  -0.0395 -0.1499 84  ARG A NE    
600  C  CZ    . ARG A 74  ? 0.7857 0.7004 0.7342 -0.0053 -0.0537 -0.1559 84  ARG A CZ    
601  N  NH1   . ARG A 74  ? 0.8420 0.7513 0.8192 -0.0131 -0.0622 -0.1543 84  ARG A NH1   
602  N  NH2   . ARG A 74  ? 0.7458 0.6663 0.6647 -0.0043 -0.0597 -0.1629 84  ARG A NH2   
603  N  N     . THR A 75  ? 0.3695 0.3340 0.3149 0.0095  -0.0109 -0.0883 85  THR A N     
604  C  CA    . THR A 75  ? 0.4557 0.4281 0.3901 0.0150  -0.0009 -0.0849 85  THR A CA    
605  C  C     . THR A 75  ? 0.3567 0.3388 0.2998 0.0139  0.0014  -0.0700 85  THR A C     
606  O  O     . THR A 75  ? 0.3587 0.3468 0.3009 0.0179  0.0098  -0.0662 85  THR A O     
607  C  CB    . THR A 75  ? 0.4746 0.4511 0.3817 0.0162  -0.0011 -0.0898 85  THR A CB    
608  O  OG1   . THR A 75  ? 0.5017 0.4841 0.4063 0.0108  -0.0111 -0.0837 85  THR A OG1   
609  C  CG2   . THR A 75  ? 0.5297 0.4951 0.4225 0.0184  -0.0032 -0.1075 85  THR A CG2   
610  N  N     . GLY A 76  ? 0.2764 0.2599 0.2281 0.0088  -0.0050 -0.0620 86  GLY A N     
611  C  CA    . GLY A 76  ? 0.2720 0.2626 0.2283 0.0081  -0.0032 -0.0505 86  GLY A CA    
612  C  C     . GLY A 76  ? 0.2623 0.2513 0.2328 0.0109  -0.0002 -0.0468 86  GLY A C     
613  O  O     . GLY A 76  ? 0.2627 0.2439 0.2442 0.0118  -0.0021 -0.0488 86  GLY A O     
614  N  N     . GLU A 77  ? 0.2560 0.2524 0.2288 0.0125  0.0036  -0.0411 87  GLU A N     
615  C  CA    . GLU A 77  ? 0.2318 0.2289 0.2210 0.0149  0.0040  -0.0371 87  GLU A CA    
616  C  C     . GLU A 77  ? 0.2854 0.2819 0.2771 0.0115  -0.0031 -0.0293 87  GLU A C     
617  O  O     . GLU A 77  ? 0.2416 0.2369 0.2452 0.0129  -0.0070 -0.0257 87  GLU A O     
618  C  CB    . GLU A 77  ? 0.2429 0.2487 0.2368 0.0180  0.0122  -0.0360 87  GLU A CB    
619  C  CG    . GLU A 77  ? 0.3168 0.3216 0.3079 0.0231  0.0217  -0.0442 87  GLU A CG    
620  C  CD    . GLU A 77  ? 0.4831 0.4968 0.4810 0.0266  0.0333  -0.0417 87  GLU A CD    
621  O  OE1   . GLU A 77  ? 0.2960 0.3153 0.2845 0.0249  0.0365  -0.0366 87  GLU A OE1   
622  O  OE2   . GLU A 77  ? 0.4334 0.4486 0.4494 0.0313  0.0400  -0.0437 87  GLU A OE2   
623  N  N     . GLY A 78  ? 0.2438 0.2412 0.2241 0.0077  -0.0051 -0.0266 88  GLY A N     
624  C  CA    . GLY A 78  ? 0.2312 0.2260 0.2090 0.0051  -0.0100 -0.0207 88  GLY A CA    
625  C  C     . GLY A 78  ? 0.2073 0.2022 0.1751 0.0017  -0.0092 -0.0198 88  GLY A C     
626  O  O     . GLY A 78  ? 0.2297 0.2294 0.1940 0.0015  -0.0065 -0.0224 88  GLY A O     
627  N  N     . PHE A 79  ? 0.2053 0.1957 0.1687 -0.0005 -0.0111 -0.0154 89  PHE A N     
628  C  CA    . PHE A 79  ? 0.1762 0.1674 0.1354 -0.0034 -0.0086 -0.0139 89  PHE A CA    
629  C  C     . PHE A 79  ? 0.2251 0.2150 0.1760 -0.0040 -0.0069 -0.0100 89  PHE A C     
630  O  O     . PHE A 79  ? 0.2330 0.2168 0.1772 -0.0035 -0.0094 -0.0071 89  PHE A O     
631  C  CB    . PHE A 79  ? 0.2253 0.2109 0.1894 -0.0057 -0.0090 -0.0127 89  PHE A CB    
632  C  CG    . PHE A 79  ? 0.2261 0.2107 0.1976 -0.0052 -0.0110 -0.0192 89  PHE A CG    
633  C  CD1   . PHE A 79  ? 0.2556 0.2350 0.2321 -0.0022 -0.0126 -0.0213 89  PHE A CD1   
634  C  CD2   . PHE A 79  ? 0.2510 0.2393 0.2246 -0.0071 -0.0120 -0.0240 89  PHE A CD2   
635  C  CE1   . PHE A 79  ? 0.2383 0.2150 0.2201 -0.0010 -0.0131 -0.0294 89  PHE A CE1   
636  C  CE2   . PHE A 79  ? 0.2279 0.2135 0.2038 -0.0065 -0.0146 -0.0325 89  PHE A CE2   
637  C  CZ    . PHE A 79  ? 0.2526 0.2315 0.2320 -0.0033 -0.0142 -0.0359 89  PHE A CZ    
638  N  N     . LEU A 80  ? 0.2518 0.2466 0.2022 -0.0046 -0.0033 -0.0104 90  LEU A N     
639  C  CA    . LEU A 80  ? 0.2494 0.2416 0.1924 -0.0048 0.0006  -0.0083 90  LEU A CA    
640  C  C     . LEU A 80  ? 0.2126 0.2044 0.1588 -0.0068 0.0055  -0.0049 90  LEU A C     
641  O  O     . LEU A 80  ? 0.2749 0.2732 0.2326 -0.0080 0.0062  -0.0054 90  LEU A O     
642  C  CB    . LEU A 80  ? 0.2703 0.2676 0.2165 -0.0037 0.0033  -0.0100 90  LEU A CB    
643  C  CG    . LEU A 80  ? 0.3289 0.3269 0.2762 -0.0025 0.0004  -0.0123 90  LEU A CG    
644  C  CD1   . LEU A 80  ? 0.3465 0.3469 0.2983 -0.0015 0.0040  -0.0124 90  LEU A CD1   
645  C  CD2   . LEU A 80  ? 0.3792 0.3702 0.3183 -0.0024 -0.0034 -0.0138 90  LEU A CD2   
646  N  N     . LEU A 81  ? 0.2521 0.2364 0.1888 -0.0073 0.0083  -0.0006 91  LEU A N     
647  C  CA    . LEU A 81  ? 0.2676 0.2512 0.2092 -0.0095 0.0159  0.0048  91  LEU A CA    
648  C  C     . LEU A 81  ? 0.2626 0.2472 0.1983 -0.0080 0.0252  0.0051  91  LEU A C     
649  O  O     . LEU A 81  ? 0.2954 0.2724 0.2112 -0.0061 0.0282  0.0055  91  LEU A O     
650  C  CB    . LEU A 81  ? 0.2745 0.2482 0.2061 -0.0100 0.0158  0.0113  91  LEU A CB    
651  C  CG    . LEU A 81  ? 0.2919 0.2615 0.2297 -0.0102 0.0073  0.0118  91  LEU A CG    
652  C  CD1   . LEU A 81  ? 0.3370 0.2958 0.2617 -0.0094 0.0066  0.0202  91  LEU A CD1   
653  C  CD2   . LEU A 81  ? 0.3960 0.3691 0.3550 -0.0134 0.0070  0.0101  91  LEU A CD2   
654  N  N     . VAL A 82  ? 0.2576 0.2511 0.2108 -0.0086 0.0294  0.0045  92  VAL A N     
655  C  CA    . VAL A 82  ? 0.2423 0.2378 0.1956 -0.0060 0.0386  0.0035  92  VAL A CA    
656  C  C     . VAL A 82  ? 0.2589 0.2567 0.2228 -0.0072 0.0510  0.0095  92  VAL A C     
657  O  O     . VAL A 82  ? 0.2756 0.2802 0.2614 -0.0107 0.0497  0.0130  92  VAL A O     
658  C  CB    . VAL A 82  ? 0.2565 0.2610 0.2250 -0.0046 0.0349  0.0001  92  VAL A CB    
659  C  CG1   . VAL A 82  ? 0.2711 0.2751 0.2405 -0.0010 0.0447  -0.0015 92  VAL A CG1   
660  C  CG2   . VAL A 82  ? 0.2352 0.2386 0.1966 -0.0039 0.0245  -0.0039 92  VAL A CG2   
661  N  N     . PHE A 83  ? 0.2687 0.2603 0.2175 -0.0045 0.0631  0.0103  93  PHE A N     
662  C  CA    . PHE A 83  ? 0.2591 0.2550 0.2217 -0.0043 0.0790  0.0157  93  PHE A CA    
663  C  C     . PHE A 83  ? 0.3228 0.3179 0.2812 0.0010  0.0888  0.0101  93  PHE A C     
664  O  O     . PHE A 83  ? 0.3361 0.3247 0.2775 0.0037  0.0830  0.0024  93  PHE A O     
665  C  CB    . PHE A 83  ? 0.3318 0.3191 0.2786 -0.0056 0.0894  0.0240  93  PHE A CB    
666  C  CG    . PHE A 83  ? 0.3228 0.2961 0.2293 -0.0017 0.0938  0.0218  93  PHE A CG    
667  C  CD1   . PHE A 83  ? 0.3376 0.3018 0.2199 -0.0017 0.0794  0.0192  93  PHE A CD1   
668  C  CD2   . PHE A 83  ? 0.3503 0.3193 0.2432 0.0023  0.1120  0.0216  93  PHE A CD2   
669  C  CE1   . PHE A 83  ? 0.3636 0.3151 0.2086 0.0016  0.0800  0.0167  93  PHE A CE1   
670  C  CE2   . PHE A 83  ? 0.4097 0.3640 0.2596 0.0061  0.1145  0.0176  93  PHE A CE2   
671  C  CZ    . PHE A 83  ? 0.3883 0.3339 0.2140 0.0055  0.0970  0.0151  93  PHE A CZ    
672  N  N     . SER A 84  ? 0.3117 0.3133 0.2897 0.0023  0.1039  0.0137  94  SER A N     
673  C  CA    . SER A 84  ? 0.3333 0.3332 0.3101 0.0083  0.1164  0.0081  94  SER A CA    
674  C  C     . SER A 84  ? 0.3465 0.3356 0.2963 0.0111  0.1353  0.0094  94  SER A C     
675  O  O     . SER A 84  ? 0.3811 0.3729 0.3378 0.0090  0.1472  0.0189  94  SER A O     
676  C  CB    . SER A 84  ? 0.3289 0.3442 0.3486 0.0097  0.1219  0.0107  94  SER A CB    
677  O  OG    . SER A 84  ? 0.3708 0.3834 0.3914 0.0162  0.1403  0.0069  94  SER A OG    
678  N  N     . VAL A 85  ? 0.3881 0.3645 0.3079 0.0160  0.1388  -0.0004 95  VAL A N     
679  C  CA    . VAL A 85  ? 0.4327 0.3967 0.3189 0.0198  0.1567  -0.0013 95  VAL A CA    
680  C  C     . VAL A 85  ? 0.4234 0.3949 0.3330 0.0235  0.1815  0.0027  95  VAL A C     
681  O  O     . VAL A 85  ? 0.4890 0.4551 0.3799 0.0250  0.1921  0.0055  95  VAL A O     
682  C  CB    . VAL A 85  ? 0.4216 0.3687 0.2684 0.0240  0.1523  -0.0153 95  VAL A CB    
683  C  CG1   . VAL A 85  ? 0.4684 0.4099 0.2967 0.0199  0.1280  -0.0173 95  VAL A CG1   
684  C  CG2   . VAL A 85  ? 0.4854 0.4340 0.3526 0.0286  0.1551  -0.0262 95  VAL A CG2   
685  N  N     . THR A 86  ? 0.4477 0.4346 0.4039 0.0239  0.1820  0.0037  96  THR A N     
686  C  CA    . THR A 86  ? 0.4629 0.4601 0.4512 0.0267  0.1998  0.0082  96  THR A CA    
687  C  C     . THR A 86  ? 0.4733 0.4856 0.4981 0.0208  0.2021  0.0223  96  THR A C     
688  O  O     . THR A 86  ? 0.4258 0.4492 0.4863 0.0219  0.2121  0.0269  96  THR A O     
689  C  CB    . THR A 86  ? 0.3856 0.3904 0.4068 0.0318  0.1999  0.0017  96  THR A CB    
690  O  OG1   . THR A 86  ? 0.3830 0.4015 0.4369 0.0278  0.1818  0.0056  96  THR A OG1   
691  C  CG2   . THR A 86  ? 0.4334 0.4215 0.4227 0.0373  0.1973  -0.0132 96  THR A CG2   
692  N  N     . ASP A 87  ? 0.4351 0.4473 0.4539 0.0141  0.1908  0.0286  97  ASP A N     
693  C  CA    . ASP A 87  ? 0.3673 0.3927 0.4241 0.0071  0.1890  0.0404  97  ASP A CA    
694  C  C     . ASP A 87  ? 0.4073 0.4214 0.4353 0.0023  0.1881  0.0483  97  ASP A C     
695  O  O     . ASP A 87  ? 0.3909 0.4001 0.4059 -0.0015 0.1676  0.0467  97  ASP A O     
696  C  CB    . ASP A 87  ? 0.3379 0.3757 0.4265 0.0032  0.1647  0.0378  97  ASP A CB    
697  C  CG    . ASP A 87  ? 0.4140 0.4641 0.5419 -0.0047 0.1585  0.0469  97  ASP A CG    
698  O  OD1   . ASP A 87  ? 0.4147 0.4630 0.5471 -0.0086 0.1712  0.0567  97  ASP A OD1   
699  O  OD2   . ASP A 87  ? 0.3731 0.4342 0.5279 -0.0073 0.1399  0.0443  97  ASP A OD2   
700  N  N     . ARG A 88  ? 0.4715 0.4809 0.4905 0.0030  0.2041  0.0559  98  ARG A N     
701  C  CA    . ARG A 88  ? 0.4382 0.4360 0.4295 -0.0006 0.2031  0.0652  98  ARG A CA    
702  C  C     . ARG A 88  ? 0.4306 0.4353 0.4554 -0.0093 0.1936  0.0742  98  ARG A C     
703  O  O     . ARG A 88  ? 0.4237 0.4177 0.4269 -0.0124 0.1830  0.0782  98  ARG A O     
704  C  CB    . ARG A 88  ? 0.5266 0.5190 0.5035 0.0019  0.2207  0.0720  98  ARG A CB    
705  C  CG    . ARG A 88  ? 0.5817 0.5599 0.5208 0.0001  0.2190  0.0811  98  ARG A CG    
706  C  CD    . ARG A 88  ? 0.7035 0.6736 0.6114 0.0047  0.2349  0.0842  98  ARG A CD    
707  N  NE    . ARG A 88  ? 0.8390 0.7944 0.7023 0.0041  0.2277  0.0904  98  ARG A NE    
708  C  CZ    . ARG A 88  ? 0.7555 0.6991 0.5713 0.0082  0.2179  0.0815  98  ARG A CZ    
709  N  NH1   . ARG A 88  ? 0.7523 0.6954 0.5565 0.0133  0.2167  0.0658  98  ARG A NH1   
710  N  NH2   . ARG A 88  ? 0.8438 0.7759 0.6259 0.0071  0.2077  0.0888  98  ARG A NH2   
711  N  N     . GLY A 89  ? 0.4266 0.4484 0.5052 -0.0131 0.1929  0.0761  99  GLY A N     
712  C  CA    . GLY A 89  ? 0.3218 0.3496 0.4335 -0.0218 0.1776  0.0803  99  GLY A CA    
713  C  C     . GLY A 89  ? 0.3791 0.4013 0.4713 -0.0226 0.1504  0.0698  99  GLY A C     
714  O  O     . GLY A 89  ? 0.3964 0.4124 0.4883 -0.0276 0.1382  0.0724  99  GLY A O     
715  N  N     . SER A 90  ? 0.3695 0.3933 0.4479 -0.0174 0.1417  0.0582  100 SER A N     
716  C  CA    . SER A 90  ? 0.3612 0.3805 0.4225 -0.0178 0.1186  0.0493  100 SER A CA    
717  C  C     . SER A 90  ? 0.3817 0.3839 0.3987 -0.0164 0.1163  0.0502  100 SER A C     
718  O  O     . SER A 90  ? 0.3499 0.3471 0.3593 -0.0186 0.0998  0.0476  100 SER A O     
719  C  CB    . SER A 90  ? 0.3435 0.3684 0.4031 -0.0127 0.1119  0.0389  100 SER A CB    
720  O  OG    . SER A 90  ? 0.3319 0.3462 0.3558 -0.0066 0.1202  0.0344  100 SER A OG    
721  N  N     . PHE A 91  ? 0.3945 0.3876 0.3820 -0.0121 0.1325  0.0537  101 PHE A N     
722  C  CA    . PHE A 91  ? 0.3756 0.3524 0.3195 -0.0103 0.1296  0.0561  101 PHE A CA    
723  C  C     . PHE A 91  ? 0.4959 0.4671 0.4455 -0.0153 0.1295  0.0689  101 PHE A C     
724  O  O     . PHE A 91  ? 0.4982 0.4601 0.4307 -0.0159 0.1156  0.0697  101 PHE A O     
725  C  CB    . PHE A 91  ? 0.4715 0.4396 0.3814 -0.0045 0.1481  0.0566  101 PHE A CB    
726  C  CG    . PHE A 91  ? 0.4483 0.3994 0.3106 -0.0024 0.1456  0.0607  101 PHE A CG    
727  C  CD1   . PHE A 91  ? 0.5316 0.4754 0.3681 -0.0006 0.1261  0.0516  101 PHE A CD1   
728  C  CD2   . PHE A 91  ? 0.6139 0.5565 0.4571 -0.0019 0.1629  0.0745  101 PHE A CD2   
729  C  CE1   . PHE A 91  ? 0.5566 0.4856 0.3507 0.0016  0.1213  0.0555  101 PHE A CE1   
730  C  CE2   . PHE A 91  ? 0.6670 0.5958 0.4670 0.0004  0.1554  0.0778  101 PHE A CE2   
731  C  CZ    . PHE A 91  ? 0.6437 0.5636 0.4154 0.0025  0.1366  0.0694  101 PHE A CZ    
732  N  N     . GLU A 92  ? 0.4364 0.4130 0.4140 -0.0189 0.1450  0.0797  102 GLU A N     
733  C  CA    . GLU A 92  ? 0.4698 0.4398 0.4572 -0.0241 0.1459  0.0931  102 GLU A CA    
734  C  C     . GLU A 92  ? 0.4181 0.3919 0.4357 -0.0297 0.1253  0.0881  102 GLU A C     
735  O  O     . GLU A 92  ? 0.5394 0.5036 0.5594 -0.0331 0.1204  0.0960  102 GLU A O     
736  C  CB    . GLU A 92  ? 0.4183 0.3937 0.4321 -0.0269 0.1699  0.1067  102 GLU A CB    
737  C  CG    . GLU A 92  ? 0.5869 0.5535 0.5602 -0.0208 0.1868  0.1121  102 GLU A CG    
738  C  CD    . GLU A 92  ? 0.6855 0.6622 0.6845 -0.0205 0.2048  0.1162  102 GLU A CD    
739  O  OE1   . GLU A 92  ? 0.7028 0.6936 0.7531 -0.0251 0.2051  0.1163  102 GLU A OE1   
740  O  OE2   . GLU A 92  ? 0.6718 0.6423 0.6398 -0.0154 0.2177  0.1189  102 GLU A OE2   
741  N  N     . GLU A 93  ? 0.3914 0.3775 0.4310 -0.0304 0.1137  0.0756  103 GLU A N     
742  C  CA    . GLU A 93  ? 0.3917 0.3814 0.4577 -0.0354 0.0953  0.0692  103 GLU A CA    
743  C  C     . GLU A 93  ? 0.4636 0.4478 0.5061 -0.0324 0.0768  0.0583  103 GLU A C     
744  O  O     . GLU A 93  ? 0.3799 0.3632 0.4369 -0.0356 0.0628  0.0529  103 GLU A O     
745  C  CB    . GLU A 93  ? 0.5860 0.5927 0.6927 -0.0385 0.0924  0.0636  103 GLU A CB    
746  C  CG    . GLU A 93  ? 0.4838 0.4981 0.6268 -0.0430 0.1098  0.0753  103 GLU A CG    
747  C  CD    . GLU A 93  ? 0.5604 0.5654 0.7192 -0.0496 0.1133  0.0867  103 GLU A CD    
748  O  OE1   . GLU A 93  ? 0.7032 0.7103 0.8939 -0.0562 0.0995  0.0827  103 GLU A OE1   
749  O  OE2   . GLU A 93  ? 0.5152 0.5096 0.6536 -0.0481 0.1298  0.0998  103 GLU A OE2   
750  N  N     . ILE A 94  ? 0.3703 0.3505 0.3784 -0.0264 0.0766  0.0542  104 ILE A N     
751  C  CA    . ILE A 94  ? 0.3093 0.2869 0.3027 -0.0240 0.0600  0.0443  104 ILE A CA    
752  C  C     . ILE A 94  ? 0.3460 0.3121 0.3340 -0.0252 0.0518  0.0482  104 ILE A C     
753  O  O     . ILE A 94  ? 0.3300 0.2958 0.3220 -0.0250 0.0385  0.0401  104 ILE A O     
754  C  CB    . ILE A 94  ? 0.4004 0.3766 0.3642 -0.0182 0.0610  0.0387  104 ILE A CB    
755  C  CG1   . ILE A 94  ? 0.3693 0.3465 0.3265 -0.0162 0.0455  0.0285  104 ILE A CG1   
756  C  CG2   . ILE A 94  ? 0.4173 0.3812 0.3492 -0.0154 0.0685  0.0462  104 ILE A CG2   
757  C  CD1   . ILE A 94  ? 0.3475 0.3356 0.3286 -0.0181 0.0373  0.0212  104 ILE A CD1   
758  N  N     . TYR A 95  ? 0.3571 0.3133 0.3387 -0.0262 0.0604  0.0611  105 TYR A N     
759  C  CA    . TYR A 95  ? 0.4149 0.3593 0.3944 -0.0266 0.0520  0.0661  105 TYR A CA    
760  C  C     . TYR A 95  ? 0.3896 0.3355 0.4032 -0.0314 0.0434  0.0607  105 TYR A C     
761  O  O     . TYR A 95  ? 0.3781 0.3164 0.3926 -0.0304 0.0329  0.0579  105 TYR A O     
762  C  CB    . TYR A 95  ? 0.5276 0.4600 0.4938 -0.0265 0.0627  0.0836  105 TYR A CB    
763  C  CG    . TYR A 95  ? 0.4518 0.3837 0.4495 -0.0328 0.0735  0.0943  105 TYR A CG    
764  C  CD1   . TYR A 95  ? 0.6290 0.5695 0.6387 -0.0351 0.0900  0.0988  105 TYR A CD1   
765  C  CD2   . TYR A 95  ? 0.4329 0.3556 0.4529 -0.0366 0.0677  0.0997  105 TYR A CD2   
766  C  CE1   . TYR A 95  ? 0.5613 0.5026 0.6061 -0.0417 0.1005  0.1094  105 TYR A CE1   
767  C  CE2   . TYR A 95  ? 0.6411 0.5627 0.6946 -0.0433 0.0773  0.1096  105 TYR A CE2   
768  C  CZ    . TYR A 95  ? 0.5740 0.5058 0.6411 -0.0463 0.0936  0.1146  105 TYR A CZ    
769  O  OH    . TYR A 95  ? 0.5227 0.4550 0.6289 -0.0537 0.1039  0.1252  105 TYR A OH    
770  N  N     . LYS A 96  ? 0.3322 0.2876 0.3749 -0.0364 0.0469  0.0582  106 LYS A N     
771  C  CA    . LYS A 96  ? 0.2874 0.2435 0.3603 -0.0413 0.0364  0.0501  106 LYS A CA    
772  C  C     . LYS A 96  ? 0.3094 0.2688 0.3735 -0.0381 0.0221  0.0343  106 LYS A C     
773  O  O     . LYS A 96  ? 0.3142 0.2683 0.3904 -0.0397 0.0122  0.0264  106 LYS A O     
774  C  CB    . LYS A 96  ? 0.3213 0.2892 0.4274 -0.0473 0.0409  0.0501  106 LYS A CB    
775  C  CG    . LYS A 96  ? 0.3410 0.3053 0.4632 -0.0514 0.0565  0.0665  106 LYS A CG    
776  C  CD    . LYS A 96  ? 0.3374 0.3141 0.5025 -0.0583 0.0606  0.0675  106 LYS A CD    
777  C  CE    . LYS A 96  ? 0.4802 0.4524 0.6618 -0.0623 0.0796  0.0864  106 LYS A CE    
778  N  NZ    . LYS A 96  ? 0.4894 0.4760 0.7161 -0.0686 0.0872  0.0897  106 LYS A NZ    
779  N  N     . PHE A 97  ? 0.2843 0.2519 0.3290 -0.0337 0.0218  0.0293  107 PHE A N     
780  C  CA    . PHE A 97  ? 0.2614 0.2319 0.2964 -0.0303 0.0109  0.0169  107 PHE A CA    
781  C  C     . PHE A 97  ? 0.2648 0.2249 0.2842 -0.0262 0.0067  0.0172  107 PHE A C     
782  O  O     . PHE A 97  ? 0.2650 0.2221 0.2888 -0.0252 -0.0013 0.0085  107 PHE A O     
783  C  CB    . PHE A 97  ? 0.2564 0.2371 0.2775 -0.0268 0.0130  0.0139  107 PHE A CB    
784  C  CG    . PHE A 97  ? 0.2456 0.2387 0.2857 -0.0295 0.0129  0.0110  107 PHE A CG    
785  C  CD1   . PHE A 97  ? 0.2986 0.2978 0.3451 -0.0299 0.0018  0.0010  107 PHE A CD1   
786  C  CD2   . PHE A 97  ? 0.3011 0.2996 0.3536 -0.0313 0.0237  0.0187  107 PHE A CD2   
787  C  CE1   . PHE A 97  ? 0.3232 0.3341 0.3875 -0.0320 -0.0013 -0.0008 107 PHE A CE1   
788  C  CE2   . PHE A 97  ? 0.2722 0.2837 0.3481 -0.0334 0.0223  0.0166  107 PHE A CE2   
789  C  CZ    . PHE A 97  ? 0.2434 0.2612 0.3250 -0.0337 0.0081  0.0070  107 PHE A CZ    
790  N  N     . GLN A 98  ? 0.2526 0.2067 0.2540 -0.0236 0.0119  0.0270  108 GLN A N     
791  C  CA    . GLN A 98  ? 0.3170 0.2616 0.3075 -0.0197 0.0060  0.0293  108 GLN A CA    
792  C  C     . GLN A 98  ? 0.3126 0.2471 0.3229 -0.0216 0.0025  0.0308  108 GLN A C     
793  O  O     . GLN A 98  ? 0.3130 0.2435 0.3265 -0.0183 -0.0048 0.0248  108 GLN A O     
794  C  CB    . GLN A 98  ? 0.3338 0.2725 0.3010 -0.0171 0.0104  0.0410  108 GLN A CB    
795  C  CG    . GLN A 98  ? 0.3875 0.3179 0.3444 -0.0126 0.0016  0.0444  108 GLN A CG    
796  C  CD    . GLN A 98  ? 0.4317 0.3492 0.3895 -0.0129 0.0030  0.0588  108 GLN A CD    
797  O  OE1   . GLN A 98  ? 0.4614 0.3751 0.4358 -0.0173 0.0100  0.0648  108 GLN A OE1   
798  N  NE2   . GLN A 98  ? 0.5549 0.4655 0.4975 -0.0084 -0.0044 0.0655  108 GLN A NE2   
799  N  N     . ARG A 99  ? 0.2730 0.2028 0.2997 -0.0266 0.0085  0.0390  109 ARG A N     
800  C  CA    A ARG A 99  ? 0.2904 0.2085 0.3394 -0.0290 0.0051  0.0404  109 ARG A CA    
801  C  CA    B ARG A 99  ? 0.2898 0.2078 0.3385 -0.0289 0.0051  0.0404  109 ARG A CA    
802  C  C     . ARG A 99  ? 0.3504 0.2704 0.4152 -0.0300 -0.0033 0.0228  109 ARG A C     
803  O  O     . ARG A 99  ? 0.2773 0.1873 0.3521 -0.0282 -0.0088 0.0179  109 ARG A O     
804  C  CB    A ARG A 99  ? 0.3213 0.2357 0.3895 -0.0355 0.0141  0.0521  109 ARG A CB    
805  C  CB    B ARG A 99  ? 0.3222 0.2358 0.3894 -0.0352 0.0142  0.0530  109 ARG A CB    
806  C  CG    A ARG A 99  ? 0.4162 0.3265 0.4664 -0.0345 0.0255  0.0710  109 ARG A CG    
807  C  CG    B ARG A 99  ? 0.3680 0.2726 0.4193 -0.0336 0.0232  0.0733  109 ARG A CG    
808  C  CD    A ARG A 99  ? 0.4108 0.3058 0.4511 -0.0307 0.0231  0.0838  109 ARG A CD    
809  C  CD    B ARG A 99  ? 0.3406 0.2345 0.3752 -0.0271 0.0154  0.0781  109 ARG A CD    
810  N  NE    A ARG A 99  ? 0.3968 0.2844 0.4330 -0.0329 0.0358  0.1042  109 ARG A NE    
811  N  NE    B ARG A 99  ? 0.4251 0.3075 0.4460 -0.0258 0.0215  0.0990  109 ARG A NE    
812  C  CZ    A ARG A 99  ? 0.3900 0.2775 0.3933 -0.0296 0.0438  0.1152  109 ARG A CZ    
813  C  CZ    B ARG A 99  ? 0.3481 0.2300 0.3338 -0.0211 0.0229  0.1074  109 ARG A CZ    
814  N  NH1   A ARG A 99  ? 0.4208 0.3143 0.3935 -0.0242 0.0386  0.1073  109 ARG A NH1   
815  N  NH1   B ARG A 99  ? 0.4071 0.2996 0.3711 -0.0180 0.0198  0.0965  109 ARG A NH1   
816  N  NH2   A ARG A 99  ? 0.3937 0.2740 0.3943 -0.0319 0.0580  0.1342  109 ARG A NH2   
817  N  NH2   B ARG A 99  ? 0.4593 0.3287 0.4306 -0.0194 0.0266  0.1272  109 ARG A NH2   
818  N  N     . GLN A 100 ? 0.2788 0.2109 0.3462 -0.0326 -0.0046 0.0131  110 GLN A N     
819  C  CA    . GLN A 100 ? 0.2756 0.2079 0.3536 -0.0336 -0.0134 -0.0035 110 GLN A CA    
820  C  C     . GLN A 100 ? 0.2558 0.1886 0.3162 -0.0266 -0.0175 -0.0130 110 GLN A C     
821  O  O     . GLN A 100 ? 0.2960 0.2216 0.3628 -0.0251 -0.0225 -0.0245 110 GLN A O     
822  C  CB    . GLN A 100 ? 0.2755 0.2203 0.3617 -0.0382 -0.0165 -0.0108 110 GLN A CB    
823  C  CG    . GLN A 100 ? 0.3319 0.2734 0.4260 -0.0395 -0.0275 -0.0284 110 GLN A CG    
824  C  CD    . GLN A 100 ? 0.4505 0.4041 0.5520 -0.0438 -0.0343 -0.0357 110 GLN A CD    
825  O  OE1   . GLN A 100 ? 0.3741 0.3398 0.4770 -0.0449 -0.0301 -0.0276 110 GLN A OE1   
826  N  NE2   . GLN A 100 ? 0.4039 0.3539 0.5089 -0.0454 -0.0456 -0.0517 110 GLN A NE2   
827  N  N     . ILE A 101 ? 0.2447 0.1856 0.2846 -0.0223 -0.0147 -0.0091 111 ILE A N     
828  C  CA    . ILE A 101 ? 0.2230 0.1656 0.2503 -0.0159 -0.0171 -0.0159 111 ILE A CA    
829  C  C     . ILE A 101 ? 0.2738 0.2041 0.3095 -0.0123 -0.0186 -0.0138 111 ILE A C     
830  O  O     . ILE A 101 ? 0.3073 0.2344 0.3476 -0.0087 -0.0207 -0.0245 111 ILE A O     
831  C  CB    . ILE A 101 ? 0.2451 0.1966 0.2542 -0.0130 -0.0144 -0.0104 111 ILE A CB    
832  C  CG1   . ILE A 101 ? 0.2561 0.2195 0.2592 -0.0151 -0.0130 -0.0138 111 ILE A CG1   
833  C  CG2   . ILE A 101 ? 0.2456 0.1984 0.2491 -0.0070 -0.0164 -0.0153 111 ILE A CG2   
834  C  CD1   . ILE A 101 ? 0.2847 0.2536 0.2741 -0.0138 -0.0089 -0.0066 111 ILE A CD1   
835  N  N     . LEU A 102 ? 0.2577 0.1808 0.2952 -0.0127 -0.0171 0.0004  112 LEU A N     
836  C  CA    . LEU A 102 ? 0.2623 0.1735 0.3096 -0.0083 -0.0200 0.0046  112 LEU A CA    
837  C  C     . LEU A 102 ? 0.3035 0.2027 0.3739 -0.0101 -0.0214 -0.0026 112 LEU A C     
838  O  O     . LEU A 102 ? 0.2947 0.1860 0.3759 -0.0050 -0.0237 -0.0072 112 LEU A O     
839  C  CB    . LEU A 102 ? 0.2705 0.1758 0.3105 -0.0076 -0.0195 0.0232  112 LEU A CB    
840  C  CG    . LEU A 102 ? 0.2884 0.2025 0.3039 -0.0051 -0.0201 0.0286  112 LEU A CG    
841  C  CD1   . LEU A 102 ? 0.3578 0.2631 0.3619 -0.0045 -0.0202 0.0465  112 LEU A CD1   
842  C  CD2   . LEU A 102 ? 0.3016 0.2214 0.3169 0.0009  -0.0258 0.0211  112 LEU A CD2   
843  N  N     . ARG A 103 ? 0.2690 0.1665 0.3502 -0.0172 -0.0203 -0.0046 113 ARG A N     
844  C  CA    . ARG A 103 ? 0.2775 0.1626 0.3818 -0.0199 -0.0233 -0.0142 113 ARG A CA    
845  C  C     . ARG A 103 ? 0.2769 0.1639 0.3770 -0.0166 -0.0268 -0.0355 113 ARG A C     
846  O  O     . ARG A 103 ? 0.3285 0.2035 0.4404 -0.0130 -0.0283 -0.0449 113 ARG A O     
847  C  CB    . ARG A 103 ? 0.2887 0.1746 0.4077 -0.0292 -0.0227 -0.0123 113 ARG A CB    
848  C  CG    . ARG A 103 ? 0.3414 0.2115 0.4886 -0.0331 -0.0268 -0.0204 113 ARG A CG    
849  C  CD    . ARG A 103 ? 0.3603 0.2272 0.5324 -0.0428 -0.0247 -0.0108 113 ARG A CD    
850  N  NE    . ARG A 103 ? 0.3895 0.2405 0.5915 -0.0473 -0.0304 -0.0212 113 ARG A NE    
851  C  CZ    . ARG A 103 ? 0.4247 0.2703 0.6572 -0.0565 -0.0299 -0.0153 113 ARG A CZ    
852  N  NH1   . ARG A 103 ? 0.4339 0.2894 0.6709 -0.0616 -0.0221 0.0019  113 ARG A NH1   
853  N  NH2   . ARG A 103 ? 0.4243 0.2541 0.6848 -0.0607 -0.0367 -0.0277 113 ARG A NH2   
854  N  N     . VAL A 104 ? 0.2869 0.1883 0.3687 -0.0169 -0.0273 -0.0428 114 VAL A N     
855  C  CA    . VAL A 104 ? 0.2852 0.1882 0.3570 -0.0131 -0.0293 -0.0613 114 VAL A CA    
856  C  C     . VAL A 104 ? 0.2944 0.1959 0.3617 -0.0041 -0.0252 -0.0630 114 VAL A C     
857  O  O     . VAL A 104 ? 0.3522 0.2468 0.4212 0.0003  -0.0243 -0.0776 114 VAL A O     
858  C  CB    . VAL A 104 ? 0.2846 0.2036 0.3372 -0.0149 -0.0304 -0.0642 114 VAL A CB    
859  C  CG1   . VAL A 104 ? 0.3766 0.2989 0.4114 -0.0094 -0.0300 -0.0790 114 VAL A CG1   
860  C  CG2   . VAL A 104 ? 0.3101 0.2304 0.3744 -0.0235 -0.0363 -0.0660 114 VAL A CG2   
861  N  N     . LYS A 105 ? 0.2880 0.1962 0.3500 -0.0011 -0.0226 -0.0492 115 LYS A N     
862  C  CA    . LYS A 105 ? 0.2905 0.1998 0.3539 0.0071  -0.0198 -0.0494 115 LYS A CA    
863  C  C     . LYS A 105 ? 0.3372 0.2318 0.4230 0.0106  -0.0210 -0.0459 115 LYS A C     
864  O  O     . LYS A 105 ? 0.3013 0.1948 0.3960 0.0181  -0.0186 -0.0495 115 LYS A O     
865  C  CB    . LYS A 105 ? 0.2501 0.1714 0.3026 0.0086  -0.0196 -0.0366 115 LYS A CB    
866  C  CG    . LYS A 105 ? 0.2669 0.2023 0.2995 0.0059  -0.0179 -0.0380 115 LYS A CG    
867  C  CD    . LYS A 105 ? 0.2671 0.2083 0.2931 0.0100  -0.0137 -0.0509 115 LYS A CD    
868  C  CE    . LYS A 105 ? 0.2686 0.2234 0.2770 0.0082  -0.0120 -0.0493 115 LYS A CE    
869  N  NZ    . LYS A 105 ? 0.3191 0.2780 0.3183 0.0121  -0.0068 -0.0604 115 LYS A NZ    
870  N  N     . ASP A 106 ? 0.2954 0.1790 0.3932 0.0057  -0.0238 -0.0375 116 ASP A N     
871  C  CA    . ASP A 106 ? 0.2933 0.1612 0.4143 0.0091  -0.0253 -0.0304 116 ASP A CA    
872  C  C     . ASP A 106 ? 0.2896 0.1618 0.4108 0.0158  -0.0272 -0.0165 116 ASP A C     
873  O  O     . ASP A 106 ? 0.3301 0.1951 0.4705 0.0229  -0.0280 -0.0167 116 ASP A O     
874  C  CB    . ASP A 106 ? 0.3149 0.1695 0.4537 0.0125  -0.0240 -0.0486 116 ASP A CB    
875  C  CG    . ASP A 106 ? 0.3453 0.1799 0.5132 0.0137  -0.0260 -0.0419 116 ASP A CG    
876  O  OD1   . ASP A 106 ? 0.3993 0.2288 0.5730 0.0094  -0.0283 -0.0231 116 ASP A OD1   
877  O  OD2   . ASP A 106 ? 0.4672 0.2899 0.6524 0.0194  -0.0242 -0.0551 116 ASP A OD2   
878  N  N     . ARG A 107 ? 0.2904 0.1741 0.3918 0.0135  -0.0287 -0.0050 117 ARG A N     
879  C  CA    A ARG A 107 ? 0.3134 0.2029 0.4103 0.0186  -0.0333 0.0069  117 ARG A CA    
880  C  CA    B ARG A 107 ? 0.3135 0.2033 0.4100 0.0185  -0.0333 0.0068  117 ARG A CA    
881  C  C     . ARG A 107 ? 0.3395 0.2269 0.4206 0.0146  -0.0364 0.0251  117 ARG A C     
882  O  O     . ARG A 107 ? 0.3068 0.1943 0.3768 0.0079  -0.0322 0.0271  117 ARG A O     
883  C  CB    A ARG A 107 ? 0.3400 0.2466 0.4237 0.0204  -0.0318 -0.0012 117 ARG A CB    
884  C  CB    B ARG A 107 ? 0.3315 0.2386 0.4124 0.0194  -0.0316 -0.0009 117 ARG A CB    
885  C  CG    A ARG A 107 ? 0.4274 0.3382 0.5288 0.0285  -0.0312 -0.0078 117 ARG A CG    
886  C  CG    B ARG A 107 ? 0.3758 0.2870 0.4676 0.0244  -0.0264 -0.0167 117 ARG A CG    
887  C  CD    A ARG A 107 ? 0.3905 0.3138 0.4840 0.0292  -0.0236 -0.0221 117 ARG A CD    
888  C  CD    B ARG A 107 ? 0.3824 0.2915 0.4980 0.0328  -0.0288 -0.0138 117 ARG A CD    
889  N  NE    A ARG A 107 ? 0.4119 0.3286 0.5047 0.0280  -0.0173 -0.0371 117 ARG A NE    
890  N  NE    B ARG A 107 ? 0.3809 0.2971 0.4945 0.0344  -0.0372 0.0003  117 ARG A NE    
891  C  CZ    A ARG A 107 ? 0.3871 0.3105 0.4694 0.0290  -0.0103 -0.0504 117 ARG A CZ    
892  C  CZ    B ARG A 107 ? 0.4867 0.4175 0.5924 0.0345  -0.0381 -0.0004 117 ARG A CZ    
893  N  NH1   A ARG A 107 ? 0.3758 0.3134 0.4505 0.0307  -0.0067 -0.0499 117 ARG A NH1   
894  N  NH1   B ARG A 107 ? 0.5371 0.4775 0.6342 0.0331  -0.0298 -0.0119 117 ARG A NH1   
895  N  NH2   A ARG A 107 ? 0.2992 0.2141 0.3783 0.0280  -0.0072 -0.0645 117 ARG A NH2   
896  N  NH2   B ARG A 107 ? 0.3853 0.3203 0.4914 0.0359  -0.0485 0.0113  117 ARG A NH2   
897  N  N     . ASP A 108 ? 0.3035 0.1891 0.3832 0.0192  -0.0437 0.0388  118 ASP A N     
898  C  CA    . ASP A 108 ? 0.3032 0.1858 0.3610 0.0167  -0.0466 0.0562  118 ASP A CA    
899  C  C     . ASP A 108 ? 0.3529 0.2486 0.3828 0.0147  -0.0471 0.0544  118 ASP A C     
900  O  O     . ASP A 108 ? 0.3378 0.2313 0.3447 0.0114  -0.0452 0.0644  118 ASP A O     
901  C  CB    . ASP A 108 ? 0.3241 0.1971 0.3889 0.0226  -0.0565 0.0728  118 ASP A CB    
902  C  CG    . ASP A 108 ? 0.3702 0.2269 0.4618 0.0239  -0.0550 0.0783  118 ASP A CG    
903  O  OD1   . ASP A 108 ? 0.3620 0.2108 0.4583 0.0179  -0.0470 0.0777  118 ASP A OD1   
904  O  OD2   . ASP A 108 ? 0.3953 0.2466 0.5070 0.0309  -0.0625 0.0837  118 ASP A OD2   
905  N  N     . GLU A 109 ? 0.2812 0.1892 0.3138 0.0170  -0.0487 0.0424  119 GLU A N     
906  C  CA    . GLU A 109 ? 0.2893 0.2091 0.3010 0.0150  -0.0488 0.0381  119 GLU A CA    
907  C  C     . GLU A 109 ? 0.2559 0.1868 0.2771 0.0151  -0.0433 0.0223  119 GLU A C     
908  O  O     . GLU A 109 ? 0.2972 0.2278 0.3391 0.0185  -0.0414 0.0149  119 GLU A O     
909  C  CB    . GLU A 109 ? 0.3819 0.3047 0.3865 0.0188  -0.0608 0.0449  119 GLU A CB    
910  C  CG    . GLU A 109 ? 0.4924 0.4044 0.4776 0.0193  -0.0679 0.0615  119 GLU A CG    
911  C  CD    . GLU A 109 ? 0.5702 0.4862 0.5410 0.0219  -0.0819 0.0652  119 GLU A CD    
912  O  OE1   . GLU A 109 ? 0.5267 0.4529 0.4907 0.0200  -0.0820 0.0550  119 GLU A OE1   
913  O  OE2   . GLU A 109 ? 0.6601 0.5687 0.6275 0.0256  -0.0937 0.0781  119 GLU A OE2   
914  N  N     . PHE A 110 ? 0.2426 0.1825 0.2476 0.0118  -0.0399 0.0173  120 PHE A N     
915  C  CA    . PHE A 110 ? 0.2556 0.2057 0.2658 0.0118  -0.0345 0.0050  120 PHE A CA    
916  C  C     . PHE A 110 ? 0.2858 0.2438 0.2787 0.0092  -0.0343 0.0046  120 PHE A C     
917  O  O     . PHE A 110 ? 0.2987 0.2533 0.2745 0.0062  -0.0339 0.0101  120 PHE A O     
918  C  CB    . PHE A 110 ? 0.2605 0.2087 0.2729 0.0090  -0.0271 -0.0030 120 PHE A CB    
919  C  CG    . PHE A 110 ? 0.2854 0.2418 0.3014 0.0106  -0.0222 -0.0149 120 PHE A CG    
920  C  CD1   . PHE A 110 ? 0.2832 0.2382 0.3149 0.0157  -0.0204 -0.0211 120 PHE A CD1   
921  C  CD2   . PHE A 110 ? 0.2495 0.2151 0.2528 0.0081  -0.0187 -0.0185 120 PHE A CD2   
922  C  CE1   . PHE A 110 ? 0.2854 0.2474 0.3171 0.0181  -0.0137 -0.0311 120 PHE A CE1   
923  C  CE2   . PHE A 110 ? 0.2793 0.2517 0.2831 0.0103  -0.0137 -0.0272 120 PHE A CE2   
924  C  CZ    . PHE A 110 ? 0.2920 0.2628 0.3083 0.0153  -0.0105 -0.0333 120 PHE A CZ    
925  N  N     . PRO A 111 ? 0.2744 0.2425 0.2724 0.0105  -0.0331 -0.0018 121 PRO A N     
926  C  CA    . PRO A 111 ? 0.2615 0.2355 0.2471 0.0082  -0.0338 -0.0024 121 PRO A CA    
927  C  C     . PRO A 111 ? 0.2493 0.2230 0.2187 0.0043  -0.0278 -0.0031 121 PRO A C     
928  O  O     . PRO A 111 ? 0.2642 0.2411 0.2360 0.0031  -0.0215 -0.0079 121 PRO A O     
929  C  CB    . PRO A 111 ? 0.2981 0.2822 0.2975 0.0099  -0.0300 -0.0086 121 PRO A CB    
930  C  CG    . PRO A 111 ? 0.2684 0.2527 0.2879 0.0143  -0.0306 -0.0095 121 PRO A CG    
931  C  CD    . PRO A 111 ? 0.2478 0.2208 0.2667 0.0149  -0.0317 -0.0069 121 PRO A CD    
932  N  N     . MET A 112 ? 0.2498 0.2193 0.2027 0.0027  -0.0299 0.0015  122 MET A N     
933  C  CA    . MET A 112 ? 0.2798 0.2488 0.2197 -0.0002 -0.0229 0.0018  122 MET A CA    
934  C  C     . MET A 112 ? 0.2903 0.2567 0.2123 -0.0004 -0.0253 0.0025  122 MET A C     
935  O  O     . MET A 112 ? 0.3315 0.2939 0.2472 0.0012  -0.0342 0.0046  122 MET A O     
936  C  CB    . MET A 112 ? 0.3030 0.2650 0.2409 -0.0019 -0.0190 0.0080  122 MET A CB    
937  C  CG    . MET A 112 ? 0.2641 0.2263 0.2191 -0.0025 -0.0176 0.0053  122 MET A CG    
938  S  SD    . MET A 112 ? 0.3541 0.3066 0.3107 -0.0056 -0.0133 0.0145  122 MET A SD    
939  C  CE    . MET A 112 ? 0.3645 0.3108 0.3423 -0.0046 -0.0170 0.0119  122 MET A CE    
940  N  N     . ILE A 113 ? 0.2819 0.2503 0.1965 -0.0019 -0.0181 -0.0001 123 ILE A N     
941  C  CA    A ILE A 113 ? 0.2721 0.2355 0.1669 -0.0017 -0.0174 -0.0011 123 ILE A CA    
942  C  CA    B ILE A 113 ? 0.2722 0.2352 0.1666 -0.0017 -0.0175 -0.0008 123 ILE A CA    
943  C  C     . ILE A 113 ? 0.2822 0.2449 0.1709 -0.0028 -0.0054 0.0009  123 ILE A C     
944  O  O     . ILE A 113 ? 0.2851 0.2549 0.1892 -0.0040 0.0002  -0.0002 123 ILE A O     
945  C  CB    A ILE A 113 ? 0.2910 0.2586 0.1906 -0.0017 -0.0197 -0.0087 123 ILE A CB    
946  C  CB    B ILE A 113 ? 0.3040 0.2701 0.2014 -0.0014 -0.0223 -0.0082 123 ILE A CB    
947  C  CG1   A ILE A 113 ? 0.2679 0.2381 0.1794 -0.0010 -0.0304 -0.0103 123 ILE A CG1   
948  C  CG1   B ILE A 113 ? 0.3253 0.2833 0.2005 -0.0011 -0.0231 -0.0119 123 ILE A CG1   
949  C  CG2   A ILE A 113 ? 0.3201 0.2806 0.1997 -0.0014 -0.0181 -0.0125 123 ILE A CG2   
950  C  CG2   B ILE A 113 ? 0.3109 0.2856 0.2246 -0.0021 -0.0160 -0.0114 123 ILE A CG2   
951  C  CD1   A ILE A 113 ? 0.4011 0.3735 0.3187 -0.0018 -0.0332 -0.0166 123 ILE A CD1   
952  C  CD1   B ILE A 113 ? 0.3006 0.2594 0.1822 -0.0016 -0.0310 -0.0198 123 ILE A CD1   
953  N  N     . LEU A 114 ? 0.3077 0.2621 0.1740 -0.0020 -0.0014 0.0038  124 LEU A N     
954  C  CA    . LEU A 114 ? 0.2918 0.2459 0.1538 -0.0024 0.0126  0.0062  124 LEU A CA    
955  C  C     . LEU A 114 ? 0.3350 0.2894 0.1911 -0.0009 0.0171  -0.0021 124 LEU A C     
956  O  O     . LEU A 114 ? 0.3671 0.3142 0.2042 0.0006  0.0117  -0.0074 124 LEU A O     
957  C  CB    . LEU A 114 ? 0.3861 0.3300 0.2249 -0.0017 0.0174  0.0149  124 LEU A CB    
958  C  CG    . LEU A 114 ? 0.3634 0.3073 0.2001 -0.0020 0.0351  0.0195  124 LEU A CG    
959  C  CD1   . LEU A 114 ? 0.3731 0.3263 0.2427 -0.0055 0.0398  0.0237  124 LEU A CD1   
960  C  CD2   . LEU A 114 ? 0.4537 0.3857 0.2601 -0.0005 0.0411  0.0285  124 LEU A CD2   
961  N  N     . ILE A 115 ? 0.2965 0.2587 0.1701 -0.0012 0.0260  -0.0033 125 ILE A N     
962  C  CA    . ILE A 115 ? 0.2969 0.2595 0.1713 0.0008  0.0312  -0.0105 125 ILE A CA    
963  C  C     . ILE A 115 ? 0.3358 0.2985 0.2099 0.0023  0.0473  -0.0080 125 ILE A C     
964  O  O     . ILE A 115 ? 0.3495 0.3210 0.2449 0.0007  0.0530  -0.0024 125 ILE A O     
965  C  CB    . ILE A 115 ? 0.2866 0.2590 0.1857 0.0003  0.0270  -0.0132 125 ILE A CB    
966  C  CG1   . ILE A 115 ? 0.2834 0.2573 0.1866 -0.0009 0.0142  -0.0147 125 ILE A CG1   
967  C  CG2   . ILE A 115 ? 0.2937 0.2651 0.1972 0.0029  0.0327  -0.0193 125 ILE A CG2   
968  C  CD1   . ILE A 115 ? 0.3326 0.2984 0.2226 -0.0004 0.0062  -0.0207 125 ILE A CD1   
969  N  N     . GLY A 116 ? 0.3516 0.3048 0.2036 0.0053  0.0546  -0.0131 126 GLY A N     
970  C  CA    . GLY A 116 ? 0.3395 0.2928 0.1926 0.0080  0.0726  -0.0126 126 GLY A CA    
971  C  C     . GLY A 116 ? 0.3291 0.2857 0.1996 0.0107  0.0756  -0.0206 126 GLY A C     
972  O  O     . GLY A 116 ? 0.3749 0.3213 0.2291 0.0134  0.0748  -0.0306 126 GLY A O     
973  N  N     . ASN A 117 ? 0.3180 0.2877 0.2219 0.0102  0.0783  -0.0163 127 ASN A N     
974  C  CA    . ASN A 117 ? 0.2961 0.2697 0.2208 0.0132  0.0796  -0.0211 127 ASN A CA    
975  C  C     . ASN A 117 ? 0.3649 0.3378 0.2963 0.0180  0.0983  -0.0227 127 ASN A C     
976  O  O     . ASN A 117 ? 0.3432 0.3154 0.2668 0.0185  0.1116  -0.0187 127 ASN A O     
977  C  CB    . ASN A 117 ? 0.3004 0.2885 0.2554 0.0108  0.0708  -0.0148 127 ASN A CB    
978  C  CG    . ASN A 117 ? 0.3293 0.3204 0.3034 0.0137  0.0681  -0.0172 127 ASN A CG    
979  O  OD1   . ASN A 117 ? 0.3007 0.2825 0.2656 0.0152  0.0653  -0.0242 127 ASN A OD1   
980  N  ND2   . ASN A 117 ? 0.2897 0.2935 0.2923 0.0144  0.0684  -0.0111 127 ASN A ND2   
981  N  N     . LYS A 118 ? 0.3387 0.3113 0.2861 0.0219  0.1004  -0.0283 128 LYS A N     
982  C  CA    . LYS A 118 ? 0.3336 0.3052 0.2936 0.0280  0.1181  -0.0318 128 LYS A CA    
983  C  C     . LYS A 118 ? 0.4045 0.3585 0.3289 0.0317  0.1298  -0.0427 128 LYS A C     
984  O  O     . LYS A 118 ? 0.4040 0.3561 0.3291 0.0367  0.1495  -0.0445 128 LYS A O     
985  C  CB    . LYS A 118 ? 0.3874 0.3743 0.3778 0.0285  0.1300  -0.0218 128 LYS A CB    
986  C  CG    . LYS A 118 ? 0.3038 0.3073 0.3249 0.0242  0.1157  -0.0122 128 LYS A CG    
987  C  CD    . LYS A 118 ? 0.2680 0.2874 0.3300 0.0259  0.1248  -0.0046 128 LYS A CD    
988  C  CE    . LYS A 118 ? 0.2564 0.2908 0.3429 0.0209  0.1078  0.0035  128 LYS A CE    
989  N  NZ    . LYS A 118 ? 0.2514 0.3026 0.3806 0.0215  0.1137  0.0110  128 LYS A NZ    
990  N  N     . ALA A 119 ? 0.4196 0.3605 0.3126 0.0296  0.1175  -0.0504 129 ALA A N     
991  C  CA    . ALA A 119 ? 0.4681 0.3903 0.3221 0.0330  0.1243  -0.0629 129 ALA A CA    
992  C  C     . ALA A 119 ? 0.4427 0.3556 0.3047 0.0394  0.1354  -0.0757 129 ALA A C     
993  O  O     . ALA A 119 ? 0.4939 0.3934 0.3271 0.0431  0.1433  -0.0862 129 ALA A O     
994  C  CB    . ALA A 119 ? 0.4851 0.3968 0.3112 0.0289  0.1043  -0.0690 129 ALA A CB    
995  N  N     . ASP A 120 ? 0.4352 0.3560 0.3371 0.0406  0.1330  -0.0738 130 ASP A N     
996  C  CA    . ASP A 120 ? 0.4505 0.3631 0.3671 0.0477  0.1456  -0.0841 130 ASP A CA    
997  C  C     . ASP A 120 ? 0.4643 0.3830 0.3910 0.0535  0.1681  -0.0810 130 ASP A C     
998  O  O     . ASP A 120 ? 0.4936 0.4052 0.4237 0.0590  0.1766  -0.0899 130 ASP A O     
999  C  CB    . ASP A 120 ? 0.3889 0.3104 0.3489 0.0477  0.1365  -0.0785 130 ASP A CB    
1000 C  CG    . ASP A 120 ? 0.4130 0.3571 0.4071 0.0464  0.1361  -0.0613 130 ASP A CG    
1001 O  OD1   . ASP A 120 ? 0.3420 0.2958 0.3309 0.0401  0.1238  -0.0521 130 ASP A OD1   
1002 O  OD2   . ASP A 120 ? 0.4308 0.3826 0.4580 0.0521  0.1477  -0.0578 130 ASP A OD2   
1003 N  N     . LEU A 121 ? 0.4667 0.4008 0.4037 0.0513  0.1745  -0.0671 131 LEU A N     
1004 C  CA    . LEU A 121 ? 0.4941 0.4379 0.4484 0.0547  0.1918  -0.0610 131 LEU A CA    
1005 C  C     . LEU A 121 ? 0.5723 0.5063 0.4832 0.0548  0.1992  -0.0645 131 LEU A C     
1006 O  O     . LEU A 121 ? 0.6025 0.5435 0.5073 0.0521  0.2059  -0.0539 131 LEU A O     
1007 C  CB    . LEU A 121 ? 0.4239 0.3888 0.4146 0.0517  0.1941  -0.0447 131 LEU A CB    
1008 C  CG    . LEU A 121 ? 0.3718 0.3492 0.4079 0.0528  0.1858  -0.0402 131 LEU A CG    
1009 C  CD1   . LEU A 121 ? 0.4181 0.4177 0.4896 0.0487  0.1831  -0.0247 131 LEU A CD1   
1010 C  CD2   . LEU A 121 ? 0.4073 0.3820 0.4689 0.0600  0.1921  -0.0459 131 LEU A CD2   
1011 N  N     . ASP A 122 ? 0.7626 0.6799 0.6440 0.0580  0.1969  -0.0798 132 ASP A N     
1012 C  CA    . ASP A 122 ? 0.7985 0.7054 0.6329 0.0583  0.1995  -0.0850 132 ASP A CA    
1013 C  C     . ASP A 122 ? 0.7521 0.6654 0.5893 0.0617  0.2210  -0.0785 132 ASP A C     
1014 O  O     . ASP A 122 ? 0.8442 0.7559 0.6506 0.0599  0.2249  -0.0732 132 ASP A O     
1015 C  CB    . ASP A 122 ? 0.9092 0.7985 0.7185 0.0616  0.1925  -0.1046 132 ASP A CB    
1016 C  CG    . ASP A 122 ? 1.0018 0.8806 0.7589 0.0601  0.1856  -0.1107 132 ASP A CG    
1017 O  OD1   . ASP A 122 ? 1.0573 0.9415 0.7977 0.0560  0.1844  -0.0983 132 ASP A OD1   
1018 O  OD2   . ASP A 122 ? 1.1116 0.9770 0.8461 0.0630  0.1805  -0.1278 132 ASP A OD2   
1019 N  N     . HIS A 123 ? 0.6806 0.6014 0.5559 0.0666  0.2350  -0.0777 133 HIS A N     
1020 C  CA    . HIS A 123 ? 0.6731 0.5998 0.5551 0.0701  0.2568  -0.0720 133 HIS A CA    
1021 C  C     . HIS A 123 ? 0.6341 0.5789 0.5496 0.0658  0.2629  -0.0529 133 HIS A C     
1022 O  O     . HIS A 123 ? 0.7050 0.6564 0.6352 0.0682  0.2812  -0.0464 133 HIS A O     
1023 C  CB    . HIS A 123 ? 0.7537 0.6783 0.6598 0.0781  0.2697  -0.0816 133 HIS A CB    
1024 N  N     . GLN A 124 ? 0.6414 0.5939 0.5692 0.0595  0.2481  -0.0441 134 GLN A N     
1025 C  CA    . GLN A 124 ? 0.5837 0.5534 0.5465 0.0548  0.2508  -0.0274 134 GLN A CA    
1026 C  C     . GLN A 124 ? 0.6435 0.6122 0.5812 0.0477  0.2417  -0.0187 134 GLN A C     
1027 O  O     . GLN A 124 ? 0.5750 0.5569 0.5411 0.0427  0.2406  -0.0058 134 GLN A O     
1028 C  CB    . GLN A 124 ? 0.6530 0.6370 0.6664 0.0539  0.2411  -0.0235 134 GLN A CB    
1029 C  CG    . GLN A 124 ? 0.5724 0.5620 0.6251 0.0603  0.2493  -0.0267 134 GLN A CG    
1030 C  CD    . GLN A 124 ? 0.6533 0.6277 0.6897 0.0661  0.2466  -0.0424 134 GLN A CD    
1031 O  OE1   . GLN A 124 ? 0.8664 0.8315 0.8815 0.0643  0.2321  -0.0495 134 GLN A OE1   
1032 N  NE2   . GLN A 124 ? 0.7495 0.7207 0.7976 0.0729  0.2609  -0.0483 134 GLN A NE2   
1033 N  N     . ARG A 125 ? 0.6237 0.5771 0.5112 0.0471  0.2336  -0.0256 135 ARG A N     
1034 C  CA    . ARG A 125 ? 0.6394 0.5905 0.5036 0.0409  0.2223  -0.0174 135 ARG A CA    
1035 C  C     . ARG A 125 ? 0.7400 0.6970 0.6081 0.0381  0.2349  -0.0022 135 ARG A C     
1036 O  O     . ARG A 125 ? 0.6641 0.6192 0.5239 0.0417  0.2519  -0.0012 135 ARG A O     
1037 C  CB    . ARG A 125 ? 0.6468 0.5807 0.4574 0.0417  0.2116  -0.0273 135 ARG A CB    
1038 C  CG    . ARG A 125 ? 0.7307 0.6578 0.5347 0.0410  0.1925  -0.0387 135 ARG A CG    
1039 C  CD    . ARG A 125 ? 0.7973 0.7091 0.5517 0.0410  0.1805  -0.0474 135 ARG A CD    
1040 N  NE    . ARG A 125 ? 0.8616 0.7668 0.6103 0.0388  0.1598  -0.0566 135 ARG A NE    
1041 C  CZ    . ARG A 125 ? 0.6136 0.5184 0.3539 0.0337  0.1431  -0.0509 135 ARG A CZ    
1042 N  NH1   . ARG A 125 ? 0.6572 0.5671 0.3940 0.0303  0.1440  -0.0361 135 ARG A NH1   
1043 N  NH2   . ARG A 125 ? 0.6450 0.5437 0.3825 0.0319  0.1253  -0.0602 135 ARG A NH2   
1044 N  N     . GLN A 126 ? 0.5923 0.5559 0.4731 0.0317  0.2267  0.0095  136 GLN A N     
1045 C  CA    . GLN A 126 ? 0.5871 0.5528 0.4664 0.0278  0.2345  0.0244  136 GLN A CA    
1046 C  C     . GLN A 126 ? 0.6181 0.5724 0.4571 0.0243  0.2214  0.0286  136 GLN A C     
1047 O  O     . GLN A 126 ? 0.6997 0.6521 0.5289 0.0219  0.2275  0.0409  136 GLN A O     
1048 C  CB    . GLN A 126 ? 0.5191 0.5020 0.4535 0.0227  0.2363  0.0358  136 GLN A CB    
1049 C  CG    . GLN A 126 ? 0.6089 0.6046 0.5879 0.0263  0.2486  0.0341  136 GLN A CG    
1050 C  CD    . GLN A 126 ? 0.6500 0.6641 0.6866 0.0209  0.2467  0.0446  136 GLN A CD    
1051 O  OE1   . GLN A 126 ? 0.5328 0.5504 0.5785 0.0140  0.2362  0.0521  136 GLN A OE1   
1052 N  NE2   . GLN A 126 ? 0.6663 0.6918 0.7436 0.0240  0.2557  0.0445  136 GLN A NE2   
1053 N  N     . VAL A 127 ? 0.5880 0.5346 0.4050 0.0243  0.2032  0.0193  137 VAL A N     
1054 C  CA    . VAL A 127 ? 0.5929 0.5294 0.3761 0.0213  0.1874  0.0229  137 VAL A CA    
1055 C  C     . VAL A 127 ? 0.5779 0.5016 0.3210 0.0251  0.1761  0.0081  137 VAL A C     
1056 O  O     . VAL A 127 ? 0.6421 0.5653 0.3927 0.0268  0.1689  -0.0048 137 VAL A O     
1057 C  CB    . VAL A 127 ? 0.5887 0.5300 0.3927 0.0162  0.1728  0.0267  137 VAL A CB    
1058 C  CG1   . VAL A 127 ? 0.5762 0.5064 0.3473 0.0138  0.1564  0.0316  137 VAL A CG1   
1059 C  CG2   . VAL A 127 ? 0.5674 0.5231 0.4184 0.0117  0.1822  0.0389  137 VAL A CG2   
1060 N  N     . THR A 128 ? 0.6923 0.6061 0.3952 0.0260  0.1734  0.0101  138 THR A N     
1061 C  CA    . THR A 128 ? 0.7572 0.6600 0.4243 0.0289  0.1608  -0.0045 138 THR A CA    
1062 C  C     . THR A 128 ? 0.7427 0.6414 0.4024 0.0256  0.1357  -0.0066 138 THR A C     
1063 O  O     . THR A 128 ? 0.6366 0.5390 0.3101 0.0217  0.1290  0.0047  138 THR A O     
1064 C  CB    . THR A 128 ? 0.7975 0.6921 0.4233 0.0311  0.1660  -0.0016 138 THR A CB    
1065 O  OG1   . THR A 128 ? 0.7544 0.6464 0.3652 0.0276  0.1547  0.0123  138 THR A OG1   
1066 C  CG2   . THR A 128 ? 0.6799 0.5795 0.3153 0.0336  0.1928  0.0053  138 THR A CG2   
1067 N  N     . GLN A 129 ? 0.6913 0.5823 0.3315 0.0272  0.1215  -0.0219 139 GLN A N     
1068 C  CA    A GLN A 129 ? 0.6943 0.5820 0.3303 0.0241  0.0969  -0.0249 139 GLN A CA    
1069 C  CA    B GLN A 129 ? 0.6938 0.5816 0.3300 0.0241  0.0970  -0.0247 139 GLN A CA    
1070 C  C     . GLN A 129 ? 0.7563 0.6410 0.3705 0.0222  0.0860  -0.0119 139 GLN A C     
1071 O  O     . GLN A 129 ? 0.6580 0.5439 0.2819 0.0192  0.0707  -0.0063 139 GLN A O     
1072 C  CB    A GLN A 129 ? 0.7276 0.6077 0.3494 0.0256  0.0844  -0.0438 139 GLN A CB    
1073 C  CB    B GLN A 129 ? 0.7274 0.6076 0.3498 0.0255  0.0839  -0.0435 139 GLN A CB    
1074 C  CG    A GLN A 129 ? 0.7396 0.6207 0.3837 0.0283  0.0954  -0.0565 139 GLN A CG    
1075 C  CG    B GLN A 129 ? 0.6545 0.5335 0.2830 0.0219  0.0592  -0.0473 139 GLN A CG    
1076 C  CD    A GLN A 129 ? 0.7377 0.6094 0.3691 0.0296  0.0843  -0.0759 139 GLN A CD    
1077 C  CD    B GLN A 129 ? 0.7196 0.5917 0.3428 0.0221  0.0467  -0.0660 139 GLN A CD    
1078 O  OE1   A GLN A 129 ? 0.8017 0.6661 0.4012 0.0298  0.0752  -0.0817 139 GLN A OE1   
1079 O  OE1   B GLN A 129 ? 0.8242 0.6901 0.4280 0.0250  0.0526  -0.0766 139 GLN A OE1   
1080 N  NE2   A GLN A 129 ? 0.6883 0.5597 0.3458 0.0302  0.0850  -0.0858 139 GLN A NE2   
1081 N  NE2   B GLN A 129 ? 0.7710 0.6440 0.4128 0.0188  0.0296  -0.0704 139 GLN A NE2   
1082 N  N     . GLU A 130 ? 0.7927 0.6730 0.3778 0.0242  0.0940  -0.0065 140 GLU A N     
1083 C  CA    . GLU A 130 ? 0.7858 0.6627 0.3501 0.0229  0.0843  0.0076  140 GLU A CA    
1084 C  C     . GLU A 130 ? 0.7245 0.6067 0.3133 0.0199  0.0916  0.0261  140 GLU A C     
1085 O  O     . GLU A 130 ? 0.7041 0.5842 0.2909 0.0180  0.0776  0.0367  140 GLU A O     
1086 C  CB    . GLU A 130 ? 0.8357 0.7065 0.3610 0.0258  0.0927  0.0097  140 GLU A CB    
1087 C  CG    . GLU A 130 ? 0.9084 0.7721 0.4038 0.0283  0.0820  -0.0088 140 GLU A CG    
1088 C  CD    . GLU A 130 ? 1.0544 0.9185 0.5636 0.0305  0.0923  -0.0271 140 GLU A CD    
1089 O  OE1   . GLU A 130 ? 0.9932 0.8632 0.5270 0.0316  0.1131  -0.0242 140 GLU A OE1   
1090 O  OE2   . GLU A 130 ? 1.1637 1.0224 0.6621 0.0310  0.0788  -0.0443 140 GLU A OE2   
1091 N  N     . GLU A 131 ? 0.7211 0.6102 0.3357 0.0195  0.1130  0.0301  141 GLU A N     
1092 C  CA    . GLU A 131 ? 0.6226 0.5172 0.2666 0.0158  0.1200  0.0460  141 GLU A CA    
1093 C  C     . GLU A 131 ? 0.6040 0.5009 0.2708 0.0129  0.1044  0.0441  141 GLU A C     
1094 O  O     . GLU A 131 ? 0.6147 0.5100 0.2896 0.0101  0.0976  0.0565  141 GLU A O     
1095 C  CB    . GLU A 131 ? 0.6705 0.5742 0.3434 0.0157  0.1443  0.0483  141 GLU A CB    
1096 C  CG    . GLU A 131 ? 0.7569 0.6587 0.4119 0.0177  0.1624  0.0557  141 GLU A CG    
1097 C  CD    . GLU A 131 ? 0.7962 0.7081 0.4850 0.0179  0.1860  0.0579  141 GLU A CD    
1098 O  OE1   . GLU A 131 ? 0.7792 0.6961 0.4837 0.0206  0.1907  0.0449  141 GLU A OE1   
1099 O  OE2   . GLU A 131 ? 0.8709 0.7860 0.5733 0.0155  0.1995  0.0731  141 GLU A OE2   
1100 N  N     . GLY A 132 ? 0.5799 0.4797 0.2575 0.0137  0.0993  0.0289  142 GLY A N     
1101 C  CA    . GLY A 132 ? 0.5752 0.4769 0.2713 0.0111  0.0850  0.0263  142 GLY A CA    
1102 C  C     . GLY A 132 ? 0.5350 0.4296 0.2128 0.0107  0.0617  0.0274  142 GLY A C     
1103 O  O     . GLY A 132 ? 0.5217 0.4226 0.2256 0.0077  0.0497  0.0328  142 GLY A O     
1104 N  N     . GLN A 133 ? 0.6199 0.5090 0.2695 0.0131  0.0519  0.0207  143 GLN A N     
1105 C  CA    . GLN A 133 ? 0.5775 0.4620 0.2139 0.0130  0.0285  0.0222  143 GLN A CA    
1106 C  C     . GLN A 133 ? 0.6787 0.5598 0.3099 0.0126  0.0276  0.0414  143 GLN A C     
1107 O  O     . GLN A 133 ? 0.5839 0.4632 0.2224 0.0119  0.0107  0.0472  143 GLN A O     
1108 C  CB    . GLN A 133 ? 0.7418 0.6217 0.3498 0.0153  0.0194  0.0113  143 GLN A CB    
1109 C  CG    . GLN A 133 ? 0.7396 0.6204 0.3553 0.0153  0.0162  -0.0083 143 GLN A CG    
1110 C  CD    . GLN A 133 ? 0.9113 0.7863 0.4991 0.0178  0.0191  -0.0199 143 GLN A CD    
1111 O  OE1   . GLN A 133 ? 0.8958 0.7672 0.4563 0.0198  0.0262  -0.0136 143 GLN A OE1   
1112 N  NE2   . GLN A 133 ? 0.8159 0.6895 0.4105 0.0176  0.0139  -0.0372 143 GLN A NE2   
1113 N  N     . GLN A 134 ? 0.6330 0.5131 0.2546 0.0131  0.0459  0.0520  144 GLN A N     
1114 C  CA    . GLN A 134 ? 0.6526 0.5289 0.2729 0.0123  0.0476  0.0720  144 GLN A CA    
1115 C  C     . GLN A 134 ? 0.6213 0.4986 0.2753 0.0091  0.0490  0.0804  144 GLN A C     
1116 O  O     . GLN A 134 ? 0.6643 0.5361 0.3230 0.0088  0.0369  0.0915  144 GLN A O     
1117 C  CB    . GLN A 134 ? 0.7254 0.6015 0.3331 0.0126  0.0695  0.0811  144 GLN A CB    
1118 C  CG    . GLN A 134 ? 0.8786 0.7510 0.4921 0.0106  0.0747  0.1034  144 GLN A CG    
1119 C  CD    . GLN A 134 ? 0.9825 0.8558 0.5888 0.0100  0.0981  0.1128  144 GLN A CD    
1120 O  OE1   . GLN A 134 ? 0.9316 0.8086 0.5298 0.0118  0.1118  0.1023  144 GLN A OE1   
1121 N  NE2   . GLN A 134 ? 1.0171 0.8864 0.6285 0.0075  0.1032  0.1329  144 GLN A NE2   
1122 N  N     . LEU A 135 ? 0.6125 0.4974 0.2936 0.0068  0.0631  0.0750  145 LEU A N     
1123 C  CA    . LEU A 135 ? 0.5270 0.4224 0.2571 0.0022  0.0601  0.0778  145 LEU A CA    
1124 C  C     . LEU A 135 ? 0.5020 0.4012 0.2476 0.0020  0.0370  0.0695  145 LEU A C     
1125 O  O     . LEU A 135 ? 0.5290 0.4289 0.2980 0.0002  0.0290  0.0760  145 LEU A O     
1126 C  CB    . LEU A 135 ? 0.5415 0.4498 0.3043 -0.0005 0.0743  0.0706  145 LEU A CB    
1127 C  CG    . LEU A 135 ? 0.4703 0.3891 0.2807 -0.0054 0.0697  0.0710  145 LEU A CG    
1128 C  CD1   . LEU A 135 ? 0.5841 0.4969 0.4057 -0.0083 0.0740  0.0877  145 LEU A CD1   
1129 C  CD2   . LEU A 135 ? 0.5018 0.4342 0.3427 -0.0076 0.0802  0.0636  145 LEU A CD2   
1130 N  N     . ALA A 136 ? 0.4935 0.3950 0.2291 0.0038  0.0270  0.0549  146 ALA A N     
1131 C  CA    . ALA A 136 ? 0.4775 0.3833 0.2293 0.0037  0.0068  0.0483  146 ALA A CA    
1132 C  C     . ALA A 136 ? 0.5084 0.4056 0.2483 0.0057  -0.0077 0.0593  146 ALA A C     
1133 O  O     . ALA A 136 ? 0.5042 0.4053 0.2714 0.0052  -0.0180 0.0611  146 ALA A O     
1134 C  CB    . ALA A 136 ? 0.4608 0.3686 0.2031 0.0049  -0.0010 0.0326  146 ALA A CB    
1135 N  N     . ARG A 137 ? 0.5903 0.4752 0.2890 0.0086  -0.0088 0.0668  147 ARG A N     
1136 C  CA    . ARG A 137 ? 0.6083 0.4846 0.2953 0.0111  -0.0237 0.0800  147 ARG A CA    
1137 C  C     . ARG A 137 ? 0.5715 0.4464 0.2845 0.0094  -0.0165 0.0954  147 ARG A C     
1138 O  O     . ARG A 137 ? 0.5563 0.4303 0.2882 0.0106  -0.0301 0.1015  147 ARG A O     
1139 C  CB    . ARG A 137 ? 0.6626 0.5297 0.3038 0.0143  -0.0245 0.0858  147 ARG A CB    
1140 C  CG    . ARG A 137 ? 0.8082 0.6795 0.4318 0.0153  -0.0321 0.0682  147 ARG A CG    
1141 C  CD    . ARG A 137 ? 0.8949 0.7629 0.4824 0.0176  -0.0294 0.0723  147 ARG A CD    
1142 N  NE    . ARG A 137 ? 0.8378 0.7070 0.4075 0.0177  -0.0196 0.0567  147 ARG A NE    
1143 C  CZ    . ARG A 137 ? 0.7210 0.5885 0.2715 0.0183  0.0009  0.0592  147 ARG A CZ    
1144 N  NH1   . ARG A 137 ? 0.8426 0.7077 0.3878 0.0182  0.0139  0.0775  147 ARG A NH1   
1145 N  NH2   . ARG A 137 ? 0.9586 0.8264 0.4972 0.0190  0.0089  0.0432  147 ARG A NH2   
1146 N  N     . GLN A 138 ? 0.5859 0.4608 0.3040 0.0068  0.0048  0.1015  148 GLN A N     
1147 C  CA    . GLN A 138 ? 0.5778 0.4504 0.3244 0.0041  0.0115  0.1153  148 GLN A CA    
1148 C  C     . GLN A 138 ? 0.5769 0.4590 0.3697 0.0018  0.0032  0.1059  148 GLN A C     
1149 O  O     . GLN A 138 ? 0.5826 0.4600 0.3973 0.0017  -0.0022 0.1144  148 GLN A O     
1150 C  CB    . GLN A 138 ? 0.5896 0.4627 0.3396 0.0008  0.0360  0.1219  148 GLN A CB    
1151 C  CG    . GLN A 138 ? 0.6979 0.5613 0.4010 0.0037  0.0492  0.1314  148 GLN A CG    
1152 C  CD    . GLN A 138 ? 0.9017 0.7677 0.6174 0.0003  0.0755  0.1396  148 GLN A CD    
1153 O  OE1   . GLN A 138 ? 0.8917 0.7641 0.5936 0.0008  0.0884  0.1330  148 GLN A OE1   
1154 N  NE2   . GLN A 138 ? 0.9334 0.8000 0.6877 -0.0043 0.0806  0.1502  148 GLN A NE2   
1155 N  N     . LEU A 139 ? 0.5095 0.4038 0.3162 0.0005  0.0024  0.0884  149 LEU A N     
1156 C  CA    . LEU A 139 ? 0.4228 0.3261 0.2672 -0.0013 -0.0035 0.0783  149 LEU A CA    
1157 C  C     . LEU A 139 ? 0.4191 0.3247 0.2678 0.0022  -0.0215 0.0718  149 LEU A C     
1158 O  O     . LEU A 139 ? 0.4650 0.3783 0.3415 0.0017  -0.0253 0.0625  149 LEU A O     
1159 C  CB    . LEU A 139 ? 0.4209 0.3363 0.2776 -0.0042 0.0054  0.0650  149 LEU A CB    
1160 C  CG    . LEU A 139 ? 0.4254 0.3421 0.2874 -0.0077 0.0232  0.0702  149 LEU A CG    
1161 C  CD1   . LEU A 139 ? 0.4467 0.3764 0.3241 -0.0096 0.0287  0.0573  149 LEU A CD1   
1162 C  CD2   . LEU A 139 ? 0.4680 0.3797 0.3546 -0.0113 0.0276  0.0811  149 LEU A CD2   
1163 N  N     . LYS A 140 ? 0.4586 0.3583 0.2801 0.0057  -0.0324 0.0760  150 LYS A N     
1164 C  CA    . LYS A 140 ? 0.5220 0.4248 0.3511 0.0089  -0.0509 0.0712  150 LYS A CA    
1165 C  C     . LYS A 140 ? 0.4395 0.3549 0.2828 0.0077  -0.0527 0.0542  150 LYS A C     
1166 O  O     . LYS A 140 ? 0.4557 0.3781 0.3249 0.0090  -0.0608 0.0487  150 LYS A O     
1167 C  CB    . LYS A 140 ? 0.5541 0.4545 0.4120 0.0111  -0.0583 0.0784  150 LYS A CB    
1168 C  CG    . LYS A 140 ? 0.7250 0.6115 0.5733 0.0125  -0.0572 0.0977  150 LYS A CG    
1169 C  CD    . LYS A 140 ? 0.7114 0.5943 0.5936 0.0152  -0.0641 0.1036  150 LYS A CD    
1170 C  CE    . LYS A 140 ? 0.7012 0.5689 0.5754 0.0166  -0.0631 0.1248  150 LYS A CE    
1171 N  NZ    . LYS A 140 ? 0.8168 0.6772 0.6565 0.0210  -0.0769 0.1375  150 LYS A NZ    
1172 N  N     . VAL A 141 ? 0.4254 0.3435 0.2530 0.0057  -0.0439 0.0464  151 VAL A N     
1173 C  CA    . VAL A 141 ? 0.4235 0.3518 0.2634 0.0045  -0.0442 0.0322  151 VAL A CA    
1174 C  C     . VAL A 141 ? 0.4353 0.3598 0.2460 0.0048  -0.0460 0.0261  151 VAL A C     
1175 O  O     . VAL A 141 ? 0.5205 0.4346 0.2988 0.0061  -0.0450 0.0318  151 VAL A O     
1176 C  CB    . VAL A 141 ? 0.4002 0.3365 0.2597 0.0016  -0.0302 0.0270  151 VAL A CB    
1177 C  CG1   . VAL A 141 ? 0.4180 0.3563 0.3044 0.0012  -0.0294 0.0301  151 VAL A CG1   
1178 C  CG2   . VAL A 141 ? 0.4191 0.3517 0.2619 0.0001  -0.0159 0.0303  151 VAL A CG2   
1179 N  N     . THR A 142 ? 0.4027 0.3342 0.2242 0.0037  -0.0485 0.0143  152 THR A N     
1180 C  CA    . THR A 142 ? 0.4359 0.3627 0.2342 0.0037  -0.0494 0.0056  152 THR A CA    
1181 C  C     . THR A 142 ? 0.4638 0.3922 0.2603 0.0027  -0.0311 0.0018  152 THR A C     
1182 O  O     . THR A 142 ? 0.4021 0.3380 0.2206 0.0014  -0.0212 0.0043  152 THR A O     
1183 C  CB    . THR A 142 ? 0.4993 0.4315 0.3136 0.0028  -0.0625 -0.0045 152 THR A CB    
1184 O  OG1   . THR A 142 ? 0.5201 0.4637 0.3673 0.0013  -0.0561 -0.0077 152 THR A OG1   
1185 C  CG2   . THR A 142 ? 0.5739 0.5061 0.3947 0.0041  -0.0813 0.0000  152 THR A CG2   
1186 N  N     . TYR A 143 ? 0.4437 0.3641 0.2130 0.0038  -0.0272 -0.0044 153 TYR A N     
1187 C  CA    . TYR A 143 ? 0.4203 0.3411 0.1871 0.0041  -0.0095 -0.0084 153 TYR A CA    
1188 C  C     . TYR A 143 ? 0.4563 0.3767 0.2265 0.0040  -0.0123 -0.0222 153 TYR A C     
1189 O  O     . TYR A 143 ? 0.4860 0.3995 0.2418 0.0042  -0.0258 -0.0297 153 TYR A O     
1190 C  CB    . TYR A 143 ? 0.4866 0.3959 0.2163 0.0065  0.0011  -0.0042 153 TYR A CB    
1191 C  CG    . TYR A 143 ? 0.4644 0.3742 0.1931 0.0077  0.0219  -0.0075 153 TYR A CG    
1192 C  CD1   . TYR A 143 ? 0.4423 0.3637 0.2034 0.0061  0.0339  -0.0030 153 TYR A CD1   
1193 C  CD2   . TYR A 143 ? 0.5425 0.4409 0.2380 0.0110  0.0292  -0.0156 153 TYR A CD2   
1194 C  CE1   . TYR A 143 ? 0.4753 0.3988 0.2408 0.0077  0.0526  -0.0049 153 TYR A CE1   
1195 C  CE2   . TYR A 143 ? 0.5485 0.4478 0.2467 0.0131  0.0501  -0.0186 153 TYR A CE2   
1196 C  CZ    . TYR A 143 ? 0.5145 0.4273 0.2504 0.0115  0.0615  -0.0124 153 TYR A CZ    
1197 O  OH    . TYR A 143 ? 0.5182 0.4337 0.2626 0.0139  0.0816  -0.0143 153 TYR A OH    
1198 N  N     . MET A 144 ? 0.3634 0.2911 0.1553 0.0036  -0.0010 -0.0253 154 MET A N     
1199 C  CA    . MET A 144 ? 0.3567 0.2821 0.1529 0.0042  0.0000  -0.0371 154 MET A CA    
1200 C  C     . MET A 144 ? 0.4059 0.3335 0.2084 0.0061  0.0187  -0.0372 154 MET A C     
1201 O  O     . MET A 144 ? 0.3840 0.3220 0.2070 0.0054  0.0262  -0.0292 154 MET A O     
1202 C  CB    . MET A 144 ? 0.3530 0.2880 0.1818 0.0017  -0.0090 -0.0387 154 MET A CB    
1203 C  CG    . MET A 144 ? 0.4611 0.3924 0.2986 0.0014  -0.0114 -0.0497 154 MET A CG    
1204 S  SD    . MET A 144 ? 0.4404 0.3837 0.3168 -0.0016 -0.0189 -0.0475 154 MET A SD    
1205 C  CE    . MET A 144 ? 0.5709 0.5135 0.4453 -0.0037 -0.0379 -0.0474 154 MET A CE    
1206 N  N     . GLU A 145 ? 0.4145 0.3329 0.2029 0.0088  0.0255  -0.0473 155 GLU A N     
1207 C  CA    . GLU A 145 ? 0.4486 0.3702 0.2505 0.0115  0.0430  -0.0484 155 GLU A CA    
1208 C  C     . GLU A 145 ? 0.4041 0.3302 0.2355 0.0111  0.0394  -0.0537 155 GLU A C     
1209 O  O     . GLU A 145 ? 0.4072 0.3295 0.2410 0.0091  0.0262  -0.0600 155 GLU A O     
1210 C  CB    . GLU A 145 ? 0.4843 0.3925 0.2557 0.0159  0.0560  -0.0562 155 GLU A CB    
1211 C  CG    . GLU A 145 ? 0.5758 0.4781 0.3137 0.0167  0.0607  -0.0488 155 GLU A CG    
1212 C  CD    . GLU A 145 ? 0.5729 0.4686 0.2909 0.0215  0.0819  -0.0509 155 GLU A CD    
1213 O  OE1   . GLU A 145 ? 0.6148 0.5053 0.3319 0.0247  0.0870  -0.0632 155 GLU A OE1   
1214 O  OE2   . GLU A 145 ? 0.5588 0.4583 0.2709 0.0215  0.0918  -0.0389 155 GLU A OE2   
1215 N  N     . ALA A 146 ? 0.3595 0.2955 0.2170 0.0125  0.0499  -0.0489 156 ALA A N     
1216 C  CA    . ALA A 146 ? 0.3689 0.3108 0.2561 0.0124  0.0471  -0.0496 156 ALA A CA    
1217 C  C     . ALA A 146 ? 0.3729 0.3175 0.2772 0.0168  0.0620  -0.0496 156 ALA A C     
1218 O  O     . ALA A 146 ? 0.3547 0.3006 0.2539 0.0193  0.0754  -0.0472 156 ALA A O     
1219 C  CB    . ALA A 146 ? 0.3798 0.3353 0.2874 0.0091  0.0387  -0.0398 156 ALA A CB    
1220 N  N     . SER A 147 ? 0.3780 0.3230 0.3049 0.0182  0.0605  -0.0517 157 SER A N     
1221 C  CA    . SER A 147 ? 0.3316 0.2825 0.2839 0.0226  0.0717  -0.0486 157 SER A CA    
1222 C  C     . SER A 147 ? 0.3528 0.3126 0.3331 0.0217  0.0633  -0.0411 157 SER A C     
1223 O  O     . SER A 147 ? 0.3758 0.3286 0.3607 0.0209  0.0567  -0.0447 157 SER A O     
1224 C  CB    . SER A 147 ? 0.3886 0.3256 0.3375 0.0279  0.0828  -0.0605 157 SER A CB    
1225 O  OG    . SER A 147 ? 0.3744 0.3189 0.3557 0.0328  0.0924  -0.0558 157 SER A OG    
1226 N  N     . ALA A 148 ? 0.3204 0.2950 0.3198 0.0219  0.0637  -0.0303 158 ALA A N     
1227 C  CA    . ALA A 148 ? 0.3107 0.2929 0.3333 0.0224  0.0567  -0.0222 158 ALA A CA    
1228 C  C     . ALA A 148 ? 0.3061 0.2833 0.3501 0.0280  0.0634  -0.0238 158 ALA A C     
1229 O  O     . ALA A 148 ? 0.3326 0.3089 0.3907 0.0285  0.0577  -0.0191 158 ALA A O     
1230 C  CB    . ALA A 148 ? 0.2748 0.2733 0.3097 0.0213  0.0524  -0.0115 158 ALA A CB    
1231 N  N     . LYS A 149 ? 0.2902 0.2638 0.3381 0.0326  0.0766  -0.0293 159 LYS A N     
1232 C  CA    . LYS A 149 ? 0.2758 0.2446 0.3486 0.0390  0.0842  -0.0308 159 LYS A CA    
1233 C  C     . LYS A 149 ? 0.4393 0.3902 0.5064 0.0391  0.0820  -0.0407 159 LYS A C     
1234 O  O     . LYS A 149 ? 0.3717 0.3203 0.4619 0.0411  0.0787  -0.0360 159 LYS A O     
1235 C  CB    . LYS A 149 ? 0.3520 0.3204 0.4300 0.0445  0.1015  -0.0360 159 LYS A CB    
1236 C  CG    . LYS A 149 ? 0.3358 0.3005 0.4451 0.0525  0.1107  -0.0373 159 LYS A CG    
1237 C  CD    . LYS A 149 ? 0.3483 0.3197 0.4709 0.0579  0.1285  -0.0380 159 LYS A CD    
1238 C  CE    . LYS A 149 ? 0.5052 0.4689 0.6557 0.0672  0.1416  -0.0434 159 LYS A CE    
1239 N  NZ    . LYS A 149 ? 0.6149 0.5899 0.8072 0.0704  0.1326  -0.0296 159 LYS A NZ    
1240 N  N     . ILE A 150 ? 0.4019 0.3397 0.4393 0.0366  0.0825  -0.0539 160 ILE A N     
1241 C  CA    . ILE A 150 ? 0.3965 0.3162 0.4297 0.0359  0.0787  -0.0658 160 ILE A CA    
1242 C  C     . ILE A 150 ? 0.4076 0.3273 0.4325 0.0285  0.0632  -0.0636 160 ILE A C     
1243 O  O     . ILE A 150 ? 0.3914 0.2971 0.4131 0.0262  0.0576  -0.0738 160 ILE A O     
1244 C  CB    . ILE A 150 ? 0.4301 0.3324 0.4381 0.0388  0.0881  -0.0842 160 ILE A CB    
1245 C  CG1   . ILE A 150 ? 0.4366 0.3387 0.4056 0.0349  0.0851  -0.0880 160 ILE A CG1   
1246 C  CG2   . ILE A 150 ? 0.4777 0.3806 0.5002 0.0472  0.1068  -0.0858 160 ILE A CG2   
1247 C  CD1   . ILE A 150 ? 0.5357 0.4190 0.4720 0.0378  0.0927  -0.1059 160 ILE A CD1   
1248 N  N     . ARG A 151 ? 0.3464 0.2816 0.3699 0.0249  0.0565  -0.0512 161 ARG A N     
1249 C  CA    . ARG A 151 ? 0.3327 0.2707 0.3522 0.0188  0.0440  -0.0475 161 ARG A CA    
1250 C  C     . ARG A 151 ? 0.4142 0.3416 0.4083 0.0150  0.0376  -0.0600 161 ARG A C     
1251 O  O     . ARG A 151 ? 0.4237 0.3447 0.4220 0.0111  0.0285  -0.0642 161 ARG A O     
1252 C  CB    . ARG A 151 ? 0.3614 0.2981 0.4073 0.0182  0.0403  -0.0405 161 ARG A CB    
1253 C  CG    . ARG A 151 ? 0.3758 0.3250 0.4238 0.0140  0.0326  -0.0281 161 ARG A CG    
1254 C  CD    . ARG A 151 ? 0.4005 0.3492 0.4729 0.0133  0.0310  -0.0178 161 ARG A CD    
1255 N  NE    . ARG A 151 ? 0.3412 0.3024 0.4114 0.0107  0.0271  -0.0059 161 ARG A NE    
1256 C  CZ    . ARG A 151 ? 0.3540 0.3172 0.4161 0.0060  0.0221  -0.0086 161 ARG A CZ    
1257 N  NH1   . ARG A 151 ? 0.3480 0.3021 0.4036 0.0029  0.0178  -0.0215 161 ARG A NH1   
1258 N  NH2   . ARG A 151 ? 0.3448 0.3190 0.4048 0.0048  0.0211  0.0016  161 ARG A NH2   
1259 N  N     . MET A 152 ? 0.3777 0.3033 0.3463 0.0162  0.0419  -0.0653 162 MET A N     
1260 C  CA    . MET A 152 ? 0.3852 0.3010 0.3250 0.0135  0.0346  -0.0756 162 MET A CA    
1261 C  C     . MET A 152 ? 0.3438 0.2710 0.2754 0.0096  0.0263  -0.0666 162 MET A C     
1262 O  O     . MET A 152 ? 0.3586 0.2960 0.2875 0.0105  0.0316  -0.0579 162 MET A O     
1263 C  CB    . MET A 152 ? 0.4529 0.3592 0.3652 0.0176  0.0452  -0.0846 162 MET A CB    
1264 C  CG    . MET A 152 ? 0.4933 0.3888 0.3705 0.0152  0.0357  -0.0940 162 MET A CG    
1265 S  SD    . MET A 152 ? 0.6225 0.5041 0.4584 0.0206  0.0495  -0.1045 162 MET A SD    
1266 C  CE    . MET A 152 ? 0.4846 0.3818 0.3146 0.0203  0.0568  -0.0874 162 MET A CE    
1267 N  N     . ASN A 153 ? 0.3650 0.2904 0.2959 0.0052  0.0130  -0.0689 163 ASN A N     
1268 C  CA    . ASN A 153 ? 0.3800 0.3141 0.3038 0.0022  0.0047  -0.0621 163 ASN A CA    
1269 C  C     . ASN A 153 ? 0.2936 0.2432 0.2350 0.0020  0.0077  -0.0489 163 ASN A C     
1270 O  O     . ASN A 153 ? 0.3016 0.2580 0.2355 0.0009  0.0048  -0.0434 163 ASN A O     
1271 C  CB    . ASN A 153 ? 0.3900 0.3197 0.2817 0.0033  0.0051  -0.0640 163 ASN A CB    
1272 C  CG    . ASN A 153 ? 0.5005 0.4159 0.3686 0.0025  -0.0045 -0.0760 163 ASN A CG    
1273 O  OD1   . ASN A 153 ? 0.5322 0.4440 0.4114 -0.0006 -0.0163 -0.0819 163 ASN A OD1   
1274 N  ND2   . ASN A 153 ? 0.5087 0.4155 0.3438 0.0052  0.0005  -0.0797 163 ASN A ND2   
1275 N  N     . VAL A 154 ? 0.2756 0.2297 0.2393 0.0032  0.0126  -0.0438 164 VAL A N     
1276 C  CA    . VAL A 154 ? 0.2498 0.2175 0.2264 0.0032  0.0138  -0.0321 164 VAL A CA    
1277 C  C     . VAL A 154 ? 0.2684 0.2412 0.2521 -0.0001 0.0064  -0.0286 164 VAL A C     
1278 O  O     . VAL A 154 ? 0.2587 0.2385 0.2364 -0.0008 0.0041  -0.0248 164 VAL A O     
1279 C  CB    . VAL A 154 ? 0.2797 0.2502 0.2753 0.0061  0.0201  -0.0264 164 VAL A CB    
1280 C  CG1   . VAL A 154 ? 0.2792 0.2621 0.2834 0.0061  0.0189  -0.0147 164 VAL A CG1   
1281 C  CG2   . VAL A 154 ? 0.2855 0.2537 0.2797 0.0104  0.0293  -0.0288 164 VAL A CG2   
1282 N  N     . ASP A 155 ? 0.2764 0.2455 0.2760 -0.0019 0.0037  -0.0297 165 ASP A N     
1283 C  CA    . ASP A 155 ? 0.2347 0.2097 0.2450 -0.0049 -0.0013 -0.0260 165 ASP A CA    
1284 C  C     . ASP A 155 ? 0.2689 0.2431 0.2665 -0.0066 -0.0099 -0.0315 165 ASP A C     
1285 O  O     . ASP A 155 ? 0.2646 0.2468 0.2656 -0.0071 -0.0120 -0.0270 165 ASP A O     
1286 C  CB    . ASP A 155 ? 0.2262 0.1960 0.2593 -0.0076 -0.0032 -0.0272 165 ASP A CB    
1287 C  CG    . ASP A 155 ? 0.2899 0.2600 0.3392 -0.0058 0.0050  -0.0187 165 ASP A CG    
1288 O  OD1   . ASP A 155 ? 0.2906 0.2665 0.3340 -0.0022 0.0108  -0.0112 165 ASP A OD1   
1289 O  OD2   . ASP A 155 ? 0.2734 0.2373 0.3433 -0.0082 0.0043  -0.0191 165 ASP A OD2   
1290 N  N     . GLN A 156 ? 0.2622 0.2257 0.2444 -0.0069 -0.0151 -0.0412 166 GLN A N     
1291 C  CA    . GLN A 156 ? 0.2572 0.2183 0.2251 -0.0082 -0.0255 -0.0453 166 GLN A CA    
1292 C  C     . GLN A 156 ? 0.2578 0.2253 0.2125 -0.0063 -0.0233 -0.0390 166 GLN A C     
1293 O  O     . GLN A 156 ? 0.3032 0.2737 0.2579 -0.0070 -0.0311 -0.0372 166 GLN A O     
1294 C  CB    . GLN A 156 ? 0.3079 0.2547 0.2547 -0.0081 -0.0307 -0.0569 166 GLN A CB    
1295 C  CG    . GLN A 156 ? 0.3007 0.2387 0.2632 -0.0110 -0.0372 -0.0663 166 GLN A CG    
1296 C  CD    . GLN A 156 ? 0.3384 0.2697 0.3079 -0.0091 -0.0263 -0.0693 166 GLN A CD    
1297 O  OE1   . GLN A 156 ? 0.2818 0.2195 0.2559 -0.0061 -0.0144 -0.0610 166 GLN A OE1   
1298 N  NE2   . GLN A 156 ? 0.3716 0.2894 0.3436 -0.0106 -0.0315 -0.0816 166 GLN A NE2   
1299 N  N     . ALA A 157 ? 0.2487 0.2177 0.1948 -0.0040 -0.0134 -0.0357 167 ALA A N     
1300 C  CA    . ALA A 157 ? 0.2482 0.2218 0.1850 -0.0031 -0.0115 -0.0302 167 ALA A CA    
1301 C  C     . ALA A 157 ? 0.2589 0.2425 0.2110 -0.0035 -0.0127 -0.0246 167 ALA A C     
1302 O  O     . ALA A 157 ? 0.2486 0.2336 0.1979 -0.0034 -0.0169 -0.0226 167 ALA A O     
1303 C  CB    . ALA A 157 ? 0.2487 0.2236 0.1815 -0.0012 -0.0010 -0.0279 167 ALA A CB    
1304 N  N     . PHE A 158 ? 0.2420 0.2315 0.2092 -0.0033 -0.0080 -0.0216 168 PHE A N     
1305 C  CA    . PHE A 158 ? 0.2294 0.2275 0.2077 -0.0029 -0.0067 -0.0169 168 PHE A CA    
1306 C  C     . PHE A 158 ? 0.2376 0.2373 0.2290 -0.0042 -0.0126 -0.0179 168 PHE A C     
1307 O  O     . PHE A 158 ? 0.2425 0.2468 0.2380 -0.0031 -0.0133 -0.0161 168 PHE A O     
1308 C  CB    . PHE A 158 ? 0.2447 0.2477 0.2316 -0.0020 0.0001  -0.0119 168 PHE A CB    
1309 C  CG    . PHE A 158 ? 0.2575 0.2626 0.2361 -0.0004 0.0038  -0.0096 168 PHE A CG    
1310 C  CD1   . PHE A 158 ? 0.2416 0.2518 0.2144 0.0004  0.0041  -0.0081 168 PHE A CD1   
1311 C  CD2   . PHE A 158 ? 0.2832 0.2850 0.2624 0.0005  0.0065  -0.0099 168 PHE A CD2   
1312 C  CE1   . PHE A 158 ? 0.2828 0.2958 0.2519 0.0011  0.0051  -0.0064 168 PHE A CE1   
1313 C  CE2   . PHE A 158 ? 0.2549 0.2607 0.2322 0.0020  0.0090  -0.0071 168 PHE A CE2   
1314 C  CZ    . PHE A 158 ? 0.2785 0.2904 0.2512 0.0018  0.0073  -0.0053 168 PHE A CZ    
1315 N  N     . HIS A 159 ? 0.2427 0.2385 0.2439 -0.0063 -0.0172 -0.0211 169 HIS A N     
1316 C  CA    . HIS A 159 ? 0.2186 0.2170 0.2373 -0.0080 -0.0249 -0.0222 169 HIS A CA    
1317 C  C     . HIS A 159 ? 0.2883 0.2847 0.2965 -0.0072 -0.0342 -0.0240 169 HIS A C     
1318 O  O     . HIS A 159 ? 0.2490 0.2517 0.2722 -0.0064 -0.0375 -0.0217 169 HIS A O     
1319 C  CB    . HIS A 159 ? 0.2651 0.2574 0.2947 -0.0114 -0.0314 -0.0276 169 HIS A CB    
1320 C  CG    . HIS A 159 ? 0.2875 0.2816 0.3368 -0.0127 -0.0234 -0.0238 169 HIS A CG    
1321 N  ND1   . HIS A 159 ? 0.3569 0.3453 0.4240 -0.0164 -0.0285 -0.0282 169 HIS A ND1   
1322 C  CD2   . HIS A 159 ? 0.2479 0.2475 0.3011 -0.0109 -0.0113 -0.0156 169 HIS A CD2   
1323 C  CE1   . HIS A 159 ? 0.3231 0.3135 0.4069 -0.0168 -0.0187 -0.0214 169 HIS A CE1   
1324 N  NE2   . HIS A 159 ? 0.2418 0.2391 0.3156 -0.0132 -0.0083 -0.0132 169 HIS A NE2   
1325 N  N     . GLU A 160 ? 0.2380 0.2254 0.2217 -0.0069 -0.0381 -0.0275 170 GLU A N     
1326 C  CA    . GLU A 160 ? 0.2838 0.2677 0.2551 -0.0059 -0.0476 -0.0272 170 GLU A CA    
1327 C  C     . GLU A 160 ? 0.2913 0.2802 0.2643 -0.0034 -0.0427 -0.0212 170 GLU A C     
1328 O  O     . GLU A 160 ? 0.2770 0.2670 0.2564 -0.0021 -0.0503 -0.0189 170 GLU A O     
1329 C  CB    . GLU A 160 ? 0.3543 0.3265 0.2952 -0.0056 -0.0498 -0.0308 170 GLU A CB    
1330 C  CG    . GLU A 160 ? 0.3655 0.3317 0.2887 -0.0045 -0.0612 -0.0292 170 GLU A CG    
1331 C  CD    . GLU A 160 ? 0.5015 0.4686 0.4376 -0.0058 -0.0782 -0.0317 170 GLU A CD    
1332 O  OE1   . GLU A 160 ? 0.4645 0.4303 0.4102 -0.0085 -0.0838 -0.0390 170 GLU A OE1   
1333 O  OE2   . GLU A 160 ? 0.6335 0.6026 0.5730 -0.0040 -0.0864 -0.0261 170 GLU A OE2   
1334 N  N     . LEU A 161 ? 0.2486 0.2400 0.2177 -0.0026 -0.0314 -0.0192 171 LEU A N     
1335 C  CA    . LEU A 161 ? 0.1965 0.1913 0.1685 -0.0007 -0.0277 -0.0159 171 LEU A CA    
1336 C  C     . LEU A 161 ? 0.2359 0.2382 0.2304 0.0009  -0.0277 -0.0152 171 LEU A C     
1337 O  O     . LEU A 161 ? 0.2296 0.2322 0.2301 0.0031  -0.0299 -0.0138 171 LEU A O     
1338 C  CB    . LEU A 161 ? 0.2186 0.2149 0.1836 -0.0007 -0.0183 -0.0153 171 LEU A CB    
1339 C  CG    . LEU A 161 ? 0.2037 0.2018 0.1712 0.0008  -0.0154 -0.0143 171 LEU A CG    
1340 C  CD1   . LEU A 161 ? 0.2748 0.2662 0.2374 0.0012  -0.0204 -0.0122 171 LEU A CD1   
1341 C  CD2   . LEU A 161 ? 0.2082 0.2083 0.1695 0.0000  -0.0092 -0.0145 171 LEU A CD2   
1342 N  N     . VAL A 162 ? 0.2363 0.2448 0.2453 0.0001  -0.0233 -0.0154 172 VAL A N     
1343 C  CA    . VAL A 162 ? 0.1880 0.2046 0.2211 0.0016  -0.0208 -0.0140 172 VAL A CA    
1344 C  C     . VAL A 162 ? 0.2333 0.2502 0.2813 0.0018  -0.0330 -0.0141 172 VAL A C     
1345 O  O     . VAL A 162 ? 0.2170 0.2385 0.2815 0.0049  -0.0325 -0.0126 172 VAL A O     
1346 C  CB    . VAL A 162 ? 0.1723 0.1943 0.2190 0.0000  -0.0135 -0.0121 172 VAL A CB    
1347 C  CG1   . VAL A 162 ? 0.2120 0.2432 0.2875 0.0014  -0.0096 -0.0097 172 VAL A CG1   
1348 C  CG2   . VAL A 162 ? 0.2148 0.2374 0.2466 0.0010  -0.0026 -0.0101 172 VAL A CG2   
1349 N  N     . ARG A 163 ? 0.2427 0.2542 0.2850 -0.0010 -0.0447 -0.0162 173 ARG A N     
1350 C  CA    . ARG A 163 ? 0.2159 0.2277 0.2707 -0.0008 -0.0598 -0.0160 173 ARG A CA    
1351 C  C     . ARG A 163 ? 0.2601 0.2682 0.3057 0.0029  -0.0636 -0.0125 173 ARG A C     
1352 O  O     . ARG A 163 ? 0.2730 0.2857 0.3402 0.0055  -0.0703 -0.0098 173 ARG A O     
1353 C  CB    . ARG A 163 ? 0.3119 0.3161 0.3547 -0.0042 -0.0735 -0.0206 173 ARG A CB    
1354 C  CG    . ARG A 163 ? 0.2753 0.2809 0.3318 -0.0083 -0.0716 -0.0248 173 ARG A CG    
1355 C  CD    . ARG A 163 ? 0.2734 0.2700 0.3194 -0.0114 -0.0885 -0.0317 173 ARG A CD    
1356 N  NE    . ARG A 163 ? 0.2608 0.2567 0.3228 -0.0156 -0.0870 -0.0367 173 ARG A NE    
1357 C  CZ    . ARG A 163 ? 0.2891 0.2773 0.3355 -0.0165 -0.0783 -0.0403 173 ARG A CZ    
1358 N  NH1   . ARG A 163 ? 0.3301 0.3106 0.3427 -0.0140 -0.0721 -0.0412 173 ARG A NH1   
1359 N  NH2   . ARG A 163 ? 0.3306 0.3192 0.3995 -0.0200 -0.0749 -0.0423 173 ARG A NH2   
1360 N  N     . VAL A 164 ? 0.2511 0.2508 0.2684 0.0032  -0.0599 -0.0118 174 VAL A N     
1361 C  CA    . VAL A 164 ? 0.2523 0.2467 0.2620 0.0062  -0.0619 -0.0073 174 VAL A CA    
1362 C  C     . VAL A 164 ? 0.2758 0.2760 0.3070 0.0096  -0.0536 -0.0068 174 VAL A C     
1363 O  O     . VAL A 164 ? 0.2738 0.2728 0.3172 0.0131  -0.0590 -0.0033 174 VAL A O     
1364 C  CB    . VAL A 164 ? 0.2579 0.2435 0.2383 0.0049  -0.0559 -0.0064 174 VAL A CB    
1365 C  CG1   . VAL A 164 ? 0.3120 0.2917 0.2897 0.0073  -0.0560 -0.0007 174 VAL A CG1   
1366 C  CG2   . VAL A 164 ? 0.3584 0.3363 0.3142 0.0028  -0.0627 -0.0073 174 VAL A CG2   
1367 N  N     . ILE A 165 ? 0.2556 0.2607 0.2890 0.0093  -0.0402 -0.0101 175 ILE A N     
1368 C  CA    . ILE A 165 ? 0.2268 0.2363 0.2759 0.0132  -0.0308 -0.0117 175 ILE A CA    
1369 C  C     . ILE A 165 ? 0.2176 0.2353 0.2985 0.0161  -0.0335 -0.0105 175 ILE A C     
1370 O  O     . ILE A 165 ? 0.2631 0.2808 0.3599 0.0207  -0.0326 -0.0101 175 ILE A O     
1371 C  CB    . ILE A 165 ? 0.2180 0.2313 0.2596 0.0126  -0.0174 -0.0152 175 ILE A CB    
1372 C  CG1   . ILE A 165 ? 0.2199 0.2265 0.2367 0.0103  -0.0155 -0.0164 175 ILE A CG1   
1373 C  CG2   . ILE A 165 ? 0.2803 0.2980 0.3363 0.0173  -0.0070 -0.0182 175 ILE A CG2   
1374 C  CD1   . ILE A 165 ? 0.2344 0.2456 0.2433 0.0096  -0.0061 -0.0184 175 ILE A CD1   
1375 N  N     . ARG A 166 ? 0.2244 0.2490 0.3188 0.0135  -0.0372 -0.0098 176 ARG A N     
1376 C  CA    . ARG A 166 ? 0.1900 0.2246 0.3216 0.0158  -0.0395 -0.0080 176 ARG A CA    
1377 C  C     . ARG A 166 ? 0.2802 0.3124 0.4234 0.0184  -0.0555 -0.0046 176 ARG A C     
1378 O  O     . ARG A 166 ? 0.2906 0.3304 0.4668 0.0228  -0.0552 -0.0028 176 ARG A O     
1379 C  CB    . ARG A 166 ? 0.2269 0.2686 0.3743 0.0112  -0.0421 -0.0079 176 ARG A CB    
1380 C  CG    . ARG A 166 ? 0.2182 0.2643 0.3641 0.0099  -0.0245 -0.0082 176 ARG A CG    
1381 C  CD    . ARG A 166 ? 0.2132 0.2613 0.3680 0.0043  -0.0284 -0.0078 176 ARG A CD    
1382 N  NE    . ARG A 166 ? 0.1850 0.2383 0.3456 0.0036  -0.0114 -0.0050 176 ARG A NE    
1383 C  CZ    . ARG A 166 ? 0.2101 0.2636 0.3785 -0.0012 -0.0115 -0.0037 176 ARG A CZ    
1384 N  NH1   . ARG A 166 ? 0.2006 0.2494 0.3731 -0.0057 -0.0279 -0.0072 176 ARG A NH1   
1385 N  NH2   . ARG A 166 ? 0.1824 0.2397 0.3541 -0.0013 0.0048  0.0013  176 ARG A NH2   
1386 N  N     . LYS A 167 ? 0.2888 0.3109 0.4065 0.0164  -0.0692 -0.0027 177 LYS A N     
1387 C  CA    . LYS A 167 ? 0.2921 0.3105 0.4162 0.0194  -0.0861 0.0028  177 LYS A CA    
1388 C  C     . LYS A 167 ? 0.3107 0.3233 0.4368 0.0248  -0.0809 0.0060  177 LYS A C     
1389 O  O     . LYS A 167 ? 0.3778 0.3897 0.5219 0.0292  -0.0920 0.0118  177 LYS A O     
1390 C  CB    . LYS A 167 ? 0.3629 0.3708 0.4532 0.0161  -0.1007 0.0046  177 LYS A CB    
1391 C  CG    . LYS A 167 ? 0.4739 0.4849 0.5657 0.0115  -0.1128 0.0006  177 LYS A CG    
1392 C  CD    . LYS A 167 ? 0.6133 0.6110 0.6620 0.0089  -0.1226 0.0001  177 LYS A CD    
1393 C  CE    . LYS A 167 ? 0.6735 0.6713 0.7207 0.0045  -0.1364 -0.0065 177 LYS A CE    
1394 N  NZ    . LYS A 167 ? 0.7259 0.7092 0.7276 0.0032  -0.1455 -0.0083 177 LYS A NZ    
1395 N  N     . PHE A 168 ? 0.2929 0.3005 0.4020 0.0246  -0.0659 0.0023  178 PHE A N     
1396 C  CA    A PHE A 168 ? 0.2978 0.2980 0.4088 0.0287  -0.0593 0.0026  178 PHE A CA    
1397 C  CA    B PHE A 168 ? 0.2967 0.2969 0.4086 0.0289  -0.0603 0.0031  178 PHE A CA    
1398 C  C     . PHE A 168 ? 0.4180 0.4258 0.5635 0.0347  -0.0501 -0.0008 178 PHE A C     
1399 O  O     . PHE A 168 ? 0.5772 0.5785 0.7336 0.0397  -0.0478 -0.0006 178 PHE A O     
1400 C  CB    A PHE A 168 ? 0.3438 0.3379 0.4271 0.0253  -0.0475 -0.0023 178 PHE A CB    
1401 C  CB    B PHE A 168 ? 0.3551 0.3475 0.4383 0.0256  -0.0499 -0.0008 178 PHE A CB    
1402 C  CG    A PHE A 168 ? 0.3438 0.3258 0.4198 0.0267  -0.0453 -0.0012 178 PHE A CG    
1403 C  CG    B PHE A 168 ? 0.3631 0.3436 0.4213 0.0231  -0.0569 0.0054  178 PHE A CG    
1404 C  CD1   A PHE A 168 ? 0.2896 0.2614 0.3532 0.0257  -0.0550 0.0075  178 PHE A CD1   
1405 C  CD1   B PHE A 168 ? 0.3299 0.3086 0.3624 0.0184  -0.0606 0.0069  178 PHE A CD1   
1406 C  CD2   A PHE A 168 ? 0.3006 0.2805 0.3800 0.0284  -0.0332 -0.0092 178 PHE A CD2   
1407 C  CD2   B PHE A 168 ? 0.2867 0.2567 0.3479 0.0256  -0.0578 0.0098  178 PHE A CD2   
1408 C  CE1   A PHE A 168 ? 0.3261 0.2861 0.3867 0.0261  -0.0521 0.0097  178 PHE A CE1   
1409 C  CE1   B PHE A 168 ? 0.2456 0.2136 0.2540 0.0165  -0.0635 0.0131  178 PHE A CE1   
1410 C  CE2   A PHE A 168 ? 0.3064 0.2741 0.3825 0.0287  -0.0321 -0.0095 178 PHE A CE2   
1411 C  CE2   B PHE A 168 ? 0.3640 0.3230 0.4032 0.0231  -0.0616 0.0175  178 PHE A CE2   
1412 C  CZ    A PHE A 168 ? 0.3249 0.2829 0.3941 0.0272  -0.0412 0.0006  178 PHE A CZ    
1413 C  CZ    B PHE A 168 ? 0.3322 0.2907 0.3440 0.0186  -0.0636 0.0194  178 PHE A CZ    
1414 N  N     . GLN A 169 ? 0.5456 0.5662 0.7095 0.0345  -0.0435 -0.0038 179 GLN A N     
1415 C  CA    . GLN A 169 ? 0.6386 0.6682 0.8346 0.0402  -0.0303 -0.0072 179 GLN A CA    
1416 C  C     . GLN A 169 ? 0.5418 0.5802 0.7795 0.0443  -0.0411 -0.0015 179 GLN A C     
1417 O  O     . GLN A 169 ? 0.7047 0.7509 0.9762 0.0504  -0.0307 -0.0031 179 GLN A O     
1418 C  CB    . GLN A 169 ? 0.6554 0.6947 0.8504 0.0377  -0.0156 -0.0111 179 GLN A CB    
1419 P  PG    . GNP B .   ? 0.2168 0.3062 0.3604 -0.0104 -0.0122 0.0150  201 GNP A PG    
1420 O  O1G   . GNP B .   ? 0.1953 0.2997 0.3796 -0.0129 -0.0193 0.0186  201 GNP A O1G   
1421 O  O2G   . GNP B .   ? 0.2148 0.3022 0.3347 -0.0080 -0.0260 0.0129  201 GNP A O2G   
1422 O  O3G   . GNP B .   ? 0.2327 0.3118 0.3630 -0.0154 -0.0065 0.0111  201 GNP A O3G   
1423 N  N3B   . GNP B .   ? 0.2062 0.2928 0.3521 -0.0040 0.0071  0.0190  201 GNP A N3B   
1424 P  PB    . GNP B .   ? 0.2024 0.2739 0.3110 -0.0004 0.0145  0.0153  201 GNP A PB    
1425 O  O1B   . GNP B .   ? 0.1910 0.2613 0.2819 0.0007  0.0008  0.0144  201 GNP A O1B   
1426 O  O2B   . GNP B .   ? 0.2174 0.2780 0.3069 -0.0034 0.0236  0.0121  201 GNP A O2B   
1427 O  O3A   . GNP B .   ? 0.1836 0.2553 0.3051 0.0059  0.0277  0.0178  201 GNP A O3A   
1428 P  PA    . GNP B .   ? 0.1948 0.2688 0.3248 0.0121  0.0239  0.0212  201 GNP A PA    
1429 O  O1A   . GNP B .   ? 0.2164 0.2785 0.3162 0.0128  0.0219  0.0179  201 GNP A O1A   
1430 O  O2A   . GNP B .   ? 0.1957 0.2834 0.3477 0.0125  0.0085  0.0273  201 GNP A O2A   
1431 O  "O5'" . GNP B .   ? 0.1971 0.2688 0.3422 0.0167  0.0425  0.0204  201 GNP A "O5'" 
1432 C  "C5'" . GNP B .   ? 0.1610 0.2441 0.3385 0.0166  0.0497  0.0239  201 GNP A "C5'" 
1433 C  "C4'" . GNP B .   ? 0.2420 0.3242 0.4383 0.0238  0.0663  0.0239  201 GNP A "C4'" 
1434 O  "O4'" . GNP B .   ? 0.2215 0.2872 0.3878 0.0254  0.0812  0.0161  201 GNP A "O4'" 
1435 C  "C3'" . GNP B .   ? 0.2124 0.2946 0.4216 0.0306  0.0617  0.0264  201 GNP A "C3'" 
1436 O  "O3'" . GNP B .   ? 0.2111 0.3046 0.4628 0.0365  0.0669  0.0318  201 GNP A "O3'" 
1437 C  "C2'" . GNP B .   ? 0.2268 0.2915 0.4041 0.0323  0.0643  0.0200  201 GNP A "C2'" 
1438 O  "O2'" . GNP B .   ? 0.2236 0.2836 0.4166 0.0396  0.0696  0.0203  201 GNP A "O2'" 
1439 C  "C1'" . GNP B .   ? 0.2054 0.2614 0.3641 0.0307  0.0804  0.0127  201 GNP A "C1'" 
1440 N  N9    . GNP B .   ? 0.2468 0.2856 0.3668 0.0293  0.0824  0.0043  201 GNP A N9    
1441 C  C8    . GNP B .   ? 0.2360 0.2713 0.3315 0.0240  0.0698  0.0037  201 GNP A C8    
1442 N  N7    . GNP B .   ? 0.2769 0.2972 0.3434 0.0236  0.0729  -0.0042 201 GNP A N7    
1443 C  C5    . GNP B .   ? 0.2633 0.2758 0.3314 0.0287  0.0876  -0.0101 201 GNP A C5    
1444 C  C6    . GNP B .   ? 0.2878 0.2828 0.3306 0.0310  0.0966  -0.0214 201 GNP A C6    
1445 O  O6    . GNP B .   ? 0.3011 0.2863 0.3166 0.0275  0.0885  -0.0265 201 GNP A O6    
1446 N  N1    . GNP B .   ? 0.2696 0.2600 0.3216 0.0371  0.1129  -0.0265 201 GNP A N1    
1447 C  C2    . GNP B .   ? 0.3109 0.3129 0.3975 0.0416  0.1224  -0.0208 201 GNP A C2    
1448 N  N2    . GNP B .   ? 0.3203 0.3152 0.4133 0.0486  0.1408  -0.0280 201 GNP A N2    
1449 N  N3    . GNP B .   ? 0.3109 0.3310 0.4261 0.0393  0.1131  -0.0092 201 GNP A N3    
1450 C  C4    . GNP B .   ? 0.2499 0.2747 0.3542 0.0329  0.0958  -0.0044 201 GNP A C4    
1451 MG MG    . MG  C .   ? 0.1901 0.2689 0.2775 -0.0007 -0.0228 0.0149  202 MG  A MG    
1452 O  O     . HOH D .   ? 0.5217 0.3137 0.7550 0.0285  -0.0234 -0.0607 301 HOH A O     
1453 O  O     . HOH D .   ? 0.5728 0.5550 0.8072 0.0726  0.1109  -0.0091 302 HOH A O     
1454 O  O     . HOH D .   ? 0.7153 0.6495 0.6823 0.0710  0.2298  -0.0767 303 HOH A O     
1455 O  O     . HOH D .   ? 0.7734 0.6547 0.4421 0.0130  0.0055  -0.0573 304 HOH A O     
1456 O  O     . HOH D .   ? 0.4258 0.4125 0.5104 0.0090  0.0300  0.0435  305 HOH A O     
1457 O  O     . HOH D .   ? 0.3839 0.4153 0.6544 0.0700  0.1017  0.0147  306 HOH A O     
1458 O  O     . HOH D .   ? 0.4878 0.5374 0.6682 -0.0457 0.0092  0.0160  307 HOH A O     
1459 O  O     . HOH D .   ? 0.4214 0.3980 0.5218 -0.0441 -0.0102 -0.0036 308 HOH A O     
1460 O  O     . HOH D .   ? 0.5687 0.5746 0.6997 -0.0388 0.1820  0.1150  309 HOH A O     
1461 O  O     . HOH D .   ? 0.4758 0.4726 0.3969 0.0063  -0.0112 -0.0605 310 HOH A O     
1462 O  O     . HOH D .   ? 0.5101 0.5338 0.7184 -0.0566 0.0652  0.0567  311 HOH A O     
1463 O  O     . HOH D .   ? 0.5780 0.6378 0.6311 0.0365  -0.0298 0.0884  312 HOH A O     
1464 O  O     . HOH D .   ? 0.2686 0.3866 0.5166 -0.0194 -0.0036 0.0253  313 HOH A O     
1465 O  O     . HOH D .   ? 0.7541 0.6793 0.6615 0.0155  -0.0191 -0.1505 314 HOH A O     
1466 O  O     . HOH D .   ? 0.3593 0.4288 0.5300 0.0099  0.0416  0.0070  315 HOH A O     
1467 O  O     . HOH D .   ? 0.2887 0.3579 0.2992 0.0119  -0.0397 0.0284  316 HOH A O     
1468 O  O     . HOH D .   ? 0.5234 0.4847 0.5240 -0.0350 -0.1005 -0.1263 317 HOH A O     
1469 O  O     . HOH D .   ? 0.4216 0.4326 0.5406 -0.0076 0.0442  0.0481  318 HOH A O     
1470 O  O     . HOH D .   ? 0.6825 0.5576 0.4071 0.0263  0.0735  -0.0920 319 HOH A O     
1471 O  O     . HOH D .   ? 0.3133 0.4577 0.7375 0.0625  0.0289  0.0734  320 HOH A O     
1472 O  O     . HOH D .   ? 0.7282 0.6169 0.4872 0.0419  0.1404  -0.0875 321 HOH A O     
1473 O  O     . HOH D .   ? 0.3693 0.3845 0.4036 0.0115  0.0390  0.0702  322 HOH A O     
1474 O  O     . HOH D .   ? 0.2900 0.3134 0.7017 -0.0597 -0.0927 -0.0316 323 HOH A O     
1475 O  O     . HOH D .   ? 0.7015 0.6788 0.6732 -0.0009 -0.1131 -0.0174 324 HOH A O     
1476 O  O     . HOH D .   ? 0.1925 0.2908 0.3631 0.0211  -0.0117 0.0408  325 HOH A O     
1477 O  O     . HOH D .   ? 0.4263 0.2763 0.4875 0.0044  -0.0326 0.0907  326 HOH A O     
1478 O  O     . HOH D .   ? 0.4792 0.4307 0.6338 0.0535  0.0862  -0.0230 327 HOH A O     
1479 O  O     . HOH D .   ? 0.4823 0.4843 0.4201 -0.0168 -0.0780 -0.0861 328 HOH A O     
1480 O  O     . HOH D .   ? 0.2961 0.3265 0.3636 -0.0323 -0.0412 -0.0260 329 HOH A O     
1481 O  O     . HOH D .   ? 0.5234 0.5704 0.4727 0.0241  0.1069  0.0859  330 HOH A O     
1482 O  O     . HOH D .   ? 0.4055 0.4336 0.3914 0.0166  0.0438  0.0784  331 HOH A O     
1483 O  O     . HOH D .   ? 0.4726 0.5235 0.6152 -0.0443 -0.0526 -0.0211 332 HOH A O     
1484 O  O     . HOH D .   ? 0.3964 0.4967 0.4384 0.0106  -0.0922 0.0332  333 HOH A O     
1485 O  O     . HOH D .   ? 0.4230 0.3752 0.3102 0.0032  -0.0549 0.0066  334 HOH A O     
1486 O  O     . HOH D .   ? 0.6866 0.5795 0.3672 0.0066  0.1195  0.0904  335 HOH A O     
1487 O  O     . HOH D .   ? 0.2975 0.2537 0.4075 -0.0065 0.0155  -0.0036 336 HOH A O     
1488 O  O     . HOH D .   ? 0.3511 0.2921 0.4851 -0.0518 0.0061  0.0252  337 HOH A O     
1489 O  O     . HOH D .   ? 0.2263 0.2909 0.2803 -0.0050 -0.0207 0.0058  338 HOH A O     
1490 O  O     . HOH D .   ? 0.1957 0.2881 0.3223 0.0052  -0.0227 0.0250  339 HOH A O     
1491 O  O     . HOH D .   ? 0.2980 0.3956 0.5617 0.0074  0.0816  0.0304  340 HOH A O     
1492 O  O     . HOH D .   ? 0.3153 0.3577 0.3270 -0.0218 -0.0702 -0.0394 341 HOH A O     
1493 O  O     . HOH D .   ? 0.4711 0.5090 0.5296 0.0319  0.0539  -0.0275 342 HOH A O     
1494 O  O     . HOH D .   ? 0.3933 0.4645 0.5773 -0.0199 0.0939  0.0411  343 HOH A O     
1495 O  O     . HOH D .   ? 0.3915 0.2311 0.5529 -0.0137 -0.0297 -0.0365 344 HOH A O     
1496 O  O     . HOH D .   ? 0.5772 0.4655 0.5131 -0.0016 -0.0180 0.0898  345 HOH A O     
1497 O  O     . HOH D .   ? 0.2294 0.2558 0.3188 0.0277  0.0251  0.0262  346 HOH A O     
1498 O  O     . HOH D .   ? 0.4040 0.4704 0.8829 -0.0504 -0.0910 -0.0121 347 HOH A O     
1499 O  O     . HOH D .   ? 0.2964 0.3474 0.4184 0.0143  0.1361  0.0195  348 HOH A O     
1500 O  O     . HOH D .   ? 0.2594 0.2903 0.3075 -0.0237 -0.0125 -0.0083 349 HOH A O     
1501 O  O     . HOH D .   ? 0.2979 0.3385 0.4658 -0.0067 -0.0692 -0.0145 350 HOH A O     
1502 O  O     . HOH D .   ? 0.4845 0.5512 0.4907 0.0274  -0.0400 0.0673  351 HOH A O     
1503 O  O     . HOH D .   ? 0.7339 0.6893 0.5772 0.0417  0.2849  0.0195  352 HOH A O     
1504 O  O     . HOH D .   ? 0.3547 0.3904 0.4158 -0.0341 -0.0713 -0.0438 353 HOH A O     
1505 O  O     . HOH D .   ? 0.3432 0.2247 0.4403 -0.0294 -0.0041 0.0455  354 HOH A O     
1506 O  O     . HOH D .   ? 0.3006 0.4008 0.3927 0.0088  -0.0635 0.0321  355 HOH A O     
1507 O  O     . HOH D .   ? 0.3961 0.3194 0.4378 0.0035  0.0160  -0.0534 356 HOH A O     
1508 O  O     . HOH D .   ? 0.5220 0.5936 0.7430 -0.0239 0.1590  0.0699  357 HOH A O     
1509 O  O     . HOH D .   ? 0.3743 0.4466 0.6874 -0.0192 -0.0810 -0.0107 358 HOH A O     
1510 O  O     . HOH D .   ? 0.6158 0.4996 0.4976 -0.0017 -0.0239 -0.1102 359 HOH A O     
1511 O  O     . HOH D .   ? 0.5048 0.3725 0.5063 0.0072  -0.0378 0.0961  360 HOH A O     
1512 O  O     . HOH D .   ? 0.4961 0.4124 0.6198 -0.0455 -0.0505 -0.0673 361 HOH A O     
1513 O  O     . HOH D .   ? 0.4633 0.5051 0.4183 0.0193  0.0756  0.0660  362 HOH A O     
1514 O  O     . HOH D .   ? 0.3435 0.4083 0.4914 -0.0007 0.1094  0.0295  363 HOH A O     
1515 O  O     . HOH D .   ? 0.2112 0.3116 0.3800 -0.0239 -0.0528 0.0046  364 HOH A O     
1516 O  O     . HOH D .   ? 0.3692 0.4268 0.5083 -0.0002 0.0846  0.0544  365 HOH A O     
1517 O  O     . HOH D .   ? 0.2921 0.3043 0.3197 -0.0178 0.0652  0.0270  366 HOH A O     
1518 O  O     . HOH D .   ? 0.4372 0.4341 0.6010 -0.0345 -0.1310 -0.0566 367 HOH A O     
1519 O  O     . HOH D .   ? 0.4660 0.4095 0.3924 -0.0203 0.0943  0.0827  368 HOH A O     
1520 O  O     . HOH D .   ? 0.4673 0.5866 0.8219 -0.0583 -0.0223 0.0213  369 HOH A O     
1521 O  O     . HOH D .   ? 0.4988 0.4046 0.6537 -0.0640 0.1041  0.1486  370 HOH A O     
1522 O  O     . HOH D .   ? 0.4916 0.4278 0.5533 0.0681  0.1752  -0.0738 371 HOH A O     
1523 O  O     . HOH D .   ? 0.3908 0.4638 0.6513 0.0202  -0.0366 -0.0013 372 HOH A O     
1524 O  O     . HOH D .   ? 0.5179 0.4173 0.4632 0.0020  0.0011  -0.0917 373 HOH A O     
1525 O  O     . HOH D .   ? 0.6880 0.5797 0.3857 0.0107  -0.0612 0.0337  374 HOH A O     
1526 O  O     . HOH D .   ? 0.3478 0.3290 0.4489 -0.0006 0.0286  0.0314  375 HOH A O     
1527 O  O     . HOH D .   ? 0.4690 0.5531 0.6353 0.0144  0.1128  0.0406  376 HOH A O     
1528 O  O     . HOH D .   ? 0.5211 0.5303 0.6365 -0.0169 -0.1332 -0.0359 377 HOH A O     
1529 O  O     . HOH D .   ? 0.4427 0.5649 0.7405 -0.0087 0.0788  0.0424  378 HOH A O     
1530 O  O     . HOH D .   ? 0.2316 0.4076 0.6103 0.0330  -0.0461 0.0739  379 HOH A O     
1531 O  O     . HOH D .   ? 0.3742 0.3341 0.3978 0.0254  0.0046  -0.0630 380 HOH A O     
1532 O  O     . HOH D .   ? 0.4792 0.4144 0.4184 0.0108  -0.0586 0.0383  381 HOH A O     
1533 O  O     . HOH D .   ? 0.3024 0.2973 0.3433 0.0230  -0.0028 -0.0298 382 HOH A O     
1534 O  O     . HOH D .   ? 0.7345 0.6384 0.5778 -0.0047 -0.0486 -0.0881 383 HOH A O     
1535 O  O     . HOH D .   ? 0.6181 0.5463 0.6321 0.0205  -0.0023 -0.0957 384 HOH A O     
1536 O  O     . HOH D .   ? 0.5465 0.5524 0.6967 -0.0510 0.0193  0.0239  385 HOH A O     
1537 O  O     . HOH D .   ? 0.3169 0.2590 0.3239 -0.0005 0.0062  -0.0484 386 HOH A O     
1538 O  O     . HOH D .   ? 0.6233 0.6214 0.8444 0.0550  -0.0507 0.0040  387 HOH A O     
1539 O  O     . HOH D .   ? 0.4808 0.5250 0.6238 0.0365  0.1825  0.0067  388 HOH A O     
1540 O  O     . HOH D .   ? 0.4289 0.4580 0.4611 0.0096  0.0688  0.0831  389 HOH A O     
1541 O  O     . HOH D .   ? 0.4729 0.3726 0.4175 0.0064  -0.0394 0.0728  390 HOH A O     
1542 O  O     . HOH D .   ? 0.4535 0.4635 0.6306 0.0639  0.1620  -0.0224 391 HOH A O     
1543 O  O     . HOH D .   ? 0.2547 0.2737 0.4977 -0.0354 -0.0467 -0.0191 392 HOH A O     
1544 O  O     . HOH D .   ? 0.4063 0.4613 0.5681 0.0250  0.0154  -0.0113 393 HOH A O     
1545 O  O     . HOH D .   ? 0.4908 0.5372 0.6352 -0.0059 0.2128  0.0730  394 HOH A O     
1546 O  O     . HOH D .   ? 0.5024 0.5361 0.3693 0.0187  0.0102  -0.0022 395 HOH A O     
1547 O  O     . HOH D .   ? 0.3162 0.2954 0.5086 0.0516  0.0503  0.0334  396 HOH A O     
1548 O  O     . HOH D .   ? 0.3661 0.4241 0.4420 0.0373  0.0943  -0.0151 397 HOH A O     
1549 O  O     . HOH D .   ? 0.3720 0.5600 0.7045 0.0161  -0.1164 0.0672  398 HOH A O     
1550 O  O     . HOH D .   ? 0.5298 0.4320 0.4736 -0.0166 -0.0663 -0.1032 399 HOH A O     
1551 O  O     . HOH D .   ? 0.2721 0.3016 0.4025 0.0011  -0.0879 -0.0119 400 HOH A O     
1552 O  O     . HOH D .   ? 0.3249 0.3253 0.4738 -0.0275 -0.0588 -0.0337 401 HOH A O     
1553 O  O     . HOH D .   ? 0.4987 0.6676 0.8154 -0.0291 -0.1290 0.0162  402 HOH A O     
1554 O  O     . HOH D .   ? 0.5129 0.4760 0.6560 0.0441  -0.0474 0.0033  403 HOH A O     
1555 O  O     . HOH D .   ? 0.4025 0.5328 0.7803 -0.0651 -0.0680 0.0064  404 HOH A O     
1556 O  O     . HOH D .   ? 0.3370 0.3351 0.5299 -0.0290 -0.0105 -0.0057 405 HOH A O     
1557 O  O     . HOH D .   ? 0.5785 0.4360 0.6925 -0.0046 -0.0311 -0.0928 406 HOH A O     
1558 O  O     . HOH D .   ? 0.4421 0.4756 0.2702 0.0475  0.1139  -0.0097 407 HOH A O     
1559 O  O     . HOH D .   ? 0.5662 0.4562 0.3030 0.0096  0.0027  -0.0726 408 HOH A O     
1560 O  O     . HOH D .   ? 0.5279 0.4915 0.6317 -0.0512 -0.0776 -0.0828 409 HOH A O     
1561 O  O     . HOH D .   ? 0.3587 0.3991 0.2710 0.0233  0.0149  0.0642  410 HOH A O     
1562 O  O     . HOH D .   ? 0.5306 0.4962 0.6135 0.0380  0.0038  -0.0476 411 HOH A O     
1563 O  O     . HOH D .   ? 0.4186 0.4664 0.5812 0.0380  0.1368  0.0038  412 HOH A O     
1564 O  O     . HOH D .   ? 0.4035 0.4782 0.6239 -0.0385 0.0455  0.0342  413 HOH A O     
1565 O  O     . HOH D .   ? 0.7058 0.6013 0.4556 -0.0029 0.1234  0.1154  414 HOH A O     
1566 O  O     . HOH D .   ? 0.4727 0.4051 0.4277 0.0056  -0.0385 0.0348  415 HOH A O     
1567 O  O     . HOH D .   ? 0.3142 0.3937 0.6685 -0.0266 0.0490  0.0437  416 HOH A O     
1568 O  O     . HOH D .   ? 0.5823 0.4797 0.2838 0.0075  -0.0569 -0.0062 417 HOH A O     
1569 O  O     . HOH D .   ? 0.3873 0.2471 0.5011 -0.0044 -0.0254 0.0222  418 HOH A O     
1570 O  O     . HOH D .   ? 0.4963 0.4765 0.6659 -0.0609 -0.0375 -0.0248 419 HOH A O     
1571 O  O     . HOH D .   ? 0.4424 0.4486 0.7080 -0.0738 0.0440  0.0543  420 HOH A O     
1572 O  O     . HOH D .   ? 0.5691 0.6399 0.7282 0.0371  0.0818  -0.0115 421 HOH A O     
1573 O  O     . HOH D .   ? 0.4360 0.3919 0.3813 0.0074  -0.0507 0.0161  422 HOH A O     
1574 O  O     . HOH D .   ? 0.6443 0.5247 0.6315 0.0266  -0.0827 0.1022  423 HOH A O     
1575 O  O     . HOH D .   ? 0.5262 0.5882 0.5126 0.0293  0.1360  0.0552  424 HOH A O     
1576 O  O     . HOH D .   ? 0.5072 0.5677 0.3899 0.0201  -0.0572 0.0315  425 HOH A O     
1577 O  O     . HOH D .   ? 0.3846 0.4919 0.4347 -0.0006 -0.1208 0.0136  426 HOH A O     
1578 O  O     . HOH D .   ? 0.5092 0.5148 0.4235 0.0369  0.0570  -0.0654 427 HOH A O     
1579 O  O     . HOH D .   ? 0.5555 0.6325 0.7308 0.0524  -0.0331 0.1013  428 HOH A O     
1580 O  O     . HOH D .   ? 0.4070 0.4579 0.6106 0.0483  0.1347  0.0040  429 HOH A O     
1581 O  O     . HOH D .   ? 0.6714 0.5471 0.6632 -0.0100 -0.0058 0.0951  430 HOH A O     
1582 O  O     . HOH D .   ? 0.7156 0.7148 0.6006 -0.0025 -0.0559 -0.0843 431 HOH A O     
1583 O  O     . HOH D .   ? 0.6259 0.5245 0.6191 -0.0044 -0.0094 -0.0898 432 HOH A O     
1584 O  O     . HOH D .   ? 0.3967 0.4625 0.6209 0.0272  -0.0040 -0.0064 433 HOH A O     
1585 O  O     . HOH D .   ? 0.5282 0.5433 0.5934 0.0296  0.0180  -0.0324 434 HOH A O     
1586 O  O     . HOH D .   ? 0.4510 0.4686 0.3643 0.0104  0.0029  -0.0336 435 HOH A O     
1587 O  O     . HOH D .   ? 0.3497 0.4431 0.5820 0.0191  0.1063  0.0281  436 HOH A O     
1588 O  O     . HOH D .   ? 0.5423 0.6156 0.6548 0.0145  0.1180  0.0516  437 HOH A O     
1589 O  O     . HOH D .   ? 0.6213 0.6175 0.4913 0.0062  -0.0329 -0.0808 438 HOH A O     
1590 O  O     . HOH D .   ? 0.2627 0.3317 0.5219 -0.0042 -0.0613 -0.0060 439 HOH A O     
1591 O  O     . HOH D .   ? 0.4245 0.4895 0.5954 0.0189  0.1774  0.0291  440 HOH A O     
1592 O  O     . HOH D .   ? 0.6534 0.7197 0.5794 0.0236  -0.0550 0.0525  441 HOH A O     
1593 O  O     . HOH D .   ? 0.6586 0.5868 0.5139 -0.0120 0.1388  0.1024  442 HOH A O     
1594 O  O     . HOH D .   ? 0.4574 0.4820 0.6751 0.0628  0.1275  -0.0048 443 HOH A O     
1595 O  O     . HOH D .   ? 0.6058 0.5679 0.5312 0.0048  -0.1092 -0.0020 444 HOH A O     
1596 O  O     . HOH D .   ? 0.6011 0.5728 0.7435 0.0430  -0.0776 0.0227  445 HOH A O     
1597 O  O     . HOH D .   ? 0.3540 0.2325 0.4052 -0.0166 -0.0075 0.0657  446 HOH A O     
1598 O  O     . HOH D .   ? 0.3969 0.4463 0.5560 -0.0305 0.0923  0.0483  447 HOH A O     
1599 O  O     . HOH D .   ? 0.6155 0.6294 0.6450 0.0229  0.0388  0.1125  448 HOH A O     
1600 O  O     . HOH D .   ? 0.6620 0.6063 0.8462 0.0254  0.0405  0.0643  449 HOH A O     
1601 O  O     . HOH D .   ? 0.6147 0.4361 0.7836 -0.0044 -0.0323 -0.0859 450 HOH A O     
1602 O  O     . HOH D .   ? 0.3803 0.4655 0.4470 0.0171  -0.0460 0.0417  451 HOH A O     
1603 O  O     . HOH D .   ? 0.4720 0.4822 0.5602 -0.0057 -0.1253 -0.0214 452 HOH A O     
1604 O  O     . HOH D .   ? 0.3453 0.4441 0.5849 0.0040  0.1082  0.0360  453 HOH A O     
1605 O  O     . HOH D .   ? 0.7752 0.6704 0.7604 -0.0372 0.1168  0.1611  454 HOH A O     
1606 O  O     . HOH D .   ? 0.6847 0.5809 0.4517 0.0023  -0.0360 -0.0758 455 HOH A O     
1607 O  O     . HOH D .   ? 0.4606 0.5813 0.7552 -0.0332 0.0074  0.0292  456 HOH A O     
1608 O  O     . HOH D .   ? 0.6921 0.6124 0.5870 -0.0204 0.1157  0.1165  457 HOH A O     
1609 O  O     . HOH D .   ? 0.3627 0.3726 0.7381 -0.0595 -0.1399 -0.0566 458 HOH A O     
1610 O  O     . HOH D .   ? 0.7013 0.5687 0.4192 0.0159  0.0209  -0.0998 459 HOH A O     
1611 O  O     . HOH D .   ? 0.5840 0.5357 0.4974 0.0083  -0.0763 0.0174  460 HOH A O     
1612 O  O     . HOH D .   ? 0.5624 0.5089 0.7323 -0.0666 -0.0849 -0.0856 461 HOH A O     
1613 O  O     . HOH D .   ? 0.5739 0.3558 0.8018 0.0307  -0.0160 -0.1074 462 HOH A O     
1614 O  O     . HOH D .   ? 0.6222 0.6531 0.7686 -0.0407 0.0555  0.0392  463 HOH A O     
1615 O  O     . HOH D .   ? 0.6811 0.6533 0.7130 0.0232  -0.1110 0.0276  464 HOH A O     
1616 O  O     . HOH D .   ? 0.6933 0.7305 0.5096 0.0273  0.0135  0.0192  465 HOH A O     
1617 O  O     . HOH D .   ? 0.5026 0.5930 0.5587 0.0251  -0.0636 0.0608  466 HOH A O     
1618 O  O     . HOH D .   ? 0.3604 0.4482 0.4810 0.0235  -0.0282 0.0478  467 HOH A O     
1619 O  O     . HOH D .   ? 0.6677 0.5841 0.5984 -0.0175 -0.0840 -0.0925 468 HOH A O     
1620 O  O     . HOH D .   ? 0.3865 0.3690 0.4255 0.0295  0.0099  -0.0485 469 HOH A O     
1621 O  O     . HOH D .   ? 0.6913 0.5825 0.8263 -0.0617 0.1261  0.1807  470 HOH A O     
1622 O  O     . HOH D .   ? 0.5683 0.5761 0.6507 0.0041  0.0518  0.0764  471 HOH A O     
1623 O  O     . HOH D .   ? 0.3823 0.4562 0.7291 -0.0263 0.0844  0.0704  472 HOH A O     
1624 O  O     . HOH D .   ? 0.5029 0.5579 0.7424 -0.0037 -0.1324 -0.0111 473 HOH A O     
1625 O  O     . HOH D .   ? 0.5357 0.6273 0.8089 -0.0044 0.1348  0.0837  474 HOH A O     
1626 O  O     . HOH D .   ? 0.4706 0.4708 0.7640 0.0687  -0.0799 0.0241  475 HOH A O     
# 
