data_9HSV
# 
_entry.id   9HSV 
# 
_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   9HSV         pdb_00009hsv 10.2210/pdb9hsv/pdb 
WWPDB D_1292144126 ?            ?                   
# 
_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       2025-02-05 
# 
_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                        9HSV 
_pdbx_database_status.recvd_initial_deposition_date   2024-12-19 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBE 
_pdbx_database_status.process_site                    PDBE 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
_pdbx_database_related.db_name        PDB 
_pdbx_database_related.details        . 
_pdbx_database_related.db_id          9HSB 
_pdbx_database_related.content_type   unspecified 
# 
_pdbx_contact_author.id                 1 
_pdbx_contact_author.email              guichou@cbs.cnrs.fr 
_pdbx_contact_author.name_first         Jean-Francois 
_pdbx_contact_author.name_last          Guichou 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-7699-3235 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Audebert, S.'   1 0000-0003-4914-4438 
'Gelin, M.'      2 0000-0003-1320-8663 
'Guichou, J.-F.' 3 0000-0002-7699-3235 
# 
_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                   ? 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            0353 
_citation.journal_id_ISSN           ? 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     
;Crystal structure of C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with (1H-pyrazol-3-yl)methanol
;
_citation.year                      ? 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Audebert, S.'   1 0000-0003-4914-4438 
primary 'Gelin, M.'      2 0000-0003-1320-8663 
primary 'Guichou, J.-F.' 3 0000-0002-7699-3235 
# 
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 'choline-phosphate cytidylyltransferase' 20646.949 1   2.7.7.15 ? ? 'Deletion of a lysine rich loop (720 - 737)' 
2 non-polymer syn '1~{H}-pyrazol-5-ylmethanol'             98.103    3   ?        ? ? ?                                            
3 water       nat water                                    18.015    143 ?        ? ? ?                                            
# 
_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       
;GHMAVPDDDDDDDNSNDESEYESSQMDSEKNKGSIKNSKNVVIYADGVYDMLHLGHMKQLEQAKKLFENTTLIVGVTSDN
ETKLFKGQVVQTLEERTETLKHIRWVDEIISPCPWVVTPEFLEKYKIDYVAHDDIPYANNQKEDIYAWLKRAGKFKATQR
TEGVSTTDLIVRILKNYED
;
_entity_poly.pdbx_seq_one_letter_code_can   
;GHMAVPDDDDDDDNSNDESEYESSQMDSEKNKGSIKNSKNVVIYADGVYDMLHLGHMKQLEQAKKLFENTTLIVGVTSDN
ETKLFKGQVVQTLEERTETLKHIRWVDEIISPCPWVVTPEFLEKYKIDYVAHDDIPYANNQKEDIYAWLKRAGKFKATQR
TEGVSTTDLIVRILKNYED
;
_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 '1~{H}-pyrazol-5-ylmethanol' IRU 
3 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   HIS n 
1 3   MET n 
1 4   ALA n 
1 5   VAL n 
1 6   PRO n 
1 7   ASP n 
1 8   ASP n 
1 9   ASP n 
1 10  ASP n 
1 11  ASP n 
1 12  ASP n 
1 13  ASP n 
1 14  ASN n 
1 15  SER n 
1 16  ASN n 
1 17  ASP n 
1 18  GLU n 
1 19  SER n 
1 20  GLU n 
1 21  TYR n 
1 22  GLU n 
1 23  SER n 
1 24  SER n 
1 25  GLN n 
1 26  MET n 
1 27  ASP n 
1 28  SER n 
1 29  GLU n 
1 30  LYS n 
1 31  ASN n 
1 32  LYS n 
1 33  GLY n 
1 34  SER n 
1 35  ILE n 
1 36  LYS n 
1 37  ASN n 
1 38  SER n 
1 39  LYS n 
1 40  ASN n 
1 41  VAL n 
1 42  VAL n 
1 43  ILE n 
1 44  TYR n 
1 45  ALA n 
1 46  ASP n 
1 47  GLY n 
1 48  VAL n 
1 49  TYR n 
1 50  ASP n 
1 51  MET n 
1 52  LEU n 
1 53  HIS n 
1 54  LEU n 
1 55  GLY n 
1 56  HIS n 
1 57  MET n 
1 58  LYS n 
1 59  GLN n 
1 60  LEU n 
1 61  GLU n 
1 62  GLN n 
1 63  ALA n 
1 64  LYS n 
1 65  LYS n 
1 66  LEU n 
1 67  PHE n 
1 68  GLU n 
1 69  ASN n 
1 70  THR n 
1 71  THR n 
1 72  LEU n 
1 73  ILE n 
1 74  VAL n 
1 75  GLY n 
1 76  VAL n 
1 77  THR n 
1 78  SER n 
1 79  ASP n 
1 80  ASN n 
1 81  GLU n 
1 82  THR n 
1 83  LYS n 
1 84  LEU n 
1 85  PHE n 
1 86  LYS n 
1 87  GLY n 
1 88  GLN n 
1 89  VAL n 
1 90  VAL n 
1 91  GLN n 
1 92  THR n 
1 93  LEU n 
1 94  GLU n 
1 95  GLU n 
1 96  ARG n 
1 97  THR n 
1 98  GLU n 
1 99  THR n 
1 100 LEU n 
1 101 LYS n 
1 102 HIS n 
1 103 ILE n 
1 104 ARG n 
1 105 TRP n 
1 106 VAL n 
1 107 ASP n 
1 108 GLU n 
1 109 ILE n 
1 110 ILE n 
1 111 SER n 
1 112 PRO n 
1 113 CYS n 
1 114 PRO n 
1 115 TRP n 
1 116 VAL n 
1 117 VAL n 
1 118 THR n 
1 119 PRO n 
1 120 GLU n 
1 121 PHE n 
1 122 LEU n 
1 123 GLU n 
1 124 LYS n 
1 125 TYR n 
1 126 LYS n 
1 127 ILE n 
1 128 ASP n 
1 129 TYR n 
1 130 VAL n 
1 131 ALA n 
1 132 HIS n 
1 133 ASP n 
1 134 ASP n 
1 135 ILE n 
1 136 PRO n 
1 137 TYR n 
1 138 ALA n 
1 139 ASN n 
1 140 ASN n 
1 141 GLN n 
1 142 LYS n 
1 143 GLU n 
1 144 ASP n 
1 145 ILE n 
1 146 TYR n 
1 147 ALA n 
1 148 TRP n 
1 149 LEU n 
1 150 LYS n 
1 151 ARG n 
1 152 ALA n 
1 153 GLY n 
1 154 LYS n 
1 155 PHE n 
1 156 LYS n 
1 157 ALA n 
1 158 THR n 
1 159 GLN n 
1 160 ARG n 
1 161 THR n 
1 162 GLU n 
1 163 GLY n 
1 164 VAL n 
1 165 SER n 
1 166 THR n 
1 167 THR n 
1 168 ASP n 
1 169 LEU n 
1 170 ILE n 
1 171 VAL n 
1 172 ARG n 
1 173 ILE n 
1 174 LEU n 
1 175 LYS n 
1 176 ASN n 
1 177 TYR n 
1 178 GLU n 
1 179 ASP 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                   179 
_entity_src_gen.gene_src_common_name               'malaria parasite P. falciparum' 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 PF3D7_1316600 
_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      'Plasmodium falciparum' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     5833 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli BL21(DE3)' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     469008 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          plasmid 
_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  
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 
IRU non-polymer         . '1~{H}-pyrazol-5-ylmethanol' ? 'C4 H6 N2 O'     98.103  
LEU 'L-peptide linking' y LEUCINE                      ? 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE                       ? 'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE                   ? 'C5 H11 N O2 S'  149.211 
PHE 'L-peptide linking' y PHENYLALANINE                ? 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE                      ? 'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE                       ? 'C3 H7 N O3'     105.093 
THR 'L-peptide linking' y THREONINE                    ? 'C4 H9 N O3'     119.119 
TRP 'L-peptide linking' y TRYPTOPHAN                   ? 'C11 H12 N2 O2'  204.225 
TYR 'L-peptide linking' y TYROSINE                     ? 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE                       ? 'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   GLY 1   578 ?   ?   ?   A . n 
A 1 2   HIS 2   579 ?   ?   ?   A . n 
A 1 3   MET 3   580 ?   ?   ?   A . n 
A 1 4   ALA 4   581 ?   ?   ?   A . n 
A 1 5   VAL 5   582 ?   ?   ?   A . n 
A 1 6   PRO 6   583 ?   ?   ?   A . n 
A 1 7   ASP 7   584 ?   ?   ?   A . n 
A 1 8   ASP 8   585 ?   ?   ?   A . n 
A 1 9   ASP 9   586 ?   ?   ?   A . n 
A 1 10  ASP 10  587 ?   ?   ?   A . n 
A 1 11  ASP 11  588 ?   ?   ?   A . n 
A 1 12  ASP 12  589 ?   ?   ?   A . n 
A 1 13  ASP 13  590 ?   ?   ?   A . n 
A 1 14  ASN 14  591 ?   ?   ?   A . n 
A 1 15  SER 15  592 ?   ?   ?   A . n 
A 1 16  ASN 16  593 ?   ?   ?   A . n 
A 1 17  ASP 17  594 ?   ?   ?   A . n 
A 1 18  GLU 18  595 ?   ?   ?   A . n 
A 1 19  SER 19  596 ?   ?   ?   A . n 
A 1 20  GLU 20  597 ?   ?   ?   A . n 
A 1 21  TYR 21  598 ?   ?   ?   A . n 
A 1 22  GLU 22  599 ?   ?   ?   A . n 
A 1 23  SER 23  600 ?   ?   ?   A . n 
A 1 24  SER 24  601 ?   ?   ?   A . n 
A 1 25  GLN 25  602 ?   ?   ?   A . n 
A 1 26  MET 26  603 ?   ?   ?   A . n 
A 1 27  ASP 27  604 ?   ?   ?   A . n 
A 1 28  SER 28  605 ?   ?   ?   A . n 
A 1 29  GLU 29  606 ?   ?   ?   A . n 
A 1 30  LYS 30  607 ?   ?   ?   A . n 
A 1 31  ASN 31  608 ?   ?   ?   A . n 
A 1 32  LYS 32  609 ?   ?   ?   A . n 
A 1 33  GLY 33  610 ?   ?   ?   A . n 
A 1 34  SER 34  611 ?   ?   ?   A . n 
A 1 35  ILE 35  612 ?   ?   ?   A . n 
A 1 36  LYS 36  613 ?   ?   ?   A . n 
A 1 37  ASN 37  614 ?   ?   ?   A . n 
A 1 38  SER 38  615 ?   ?   ?   A . n 
A 1 39  LYS 39  616 616 LYS LYS A . n 
A 1 40  ASN 40  617 617 ASN ASN A . n 
A 1 41  VAL 41  618 618 VAL VAL A . n 
A 1 42  VAL 42  619 619 VAL VAL A . n 
A 1 43  ILE 43  620 620 ILE ILE A . n 
A 1 44  TYR 44  621 621 TYR TYR A . n 
A 1 45  ALA 45  622 622 ALA ALA A . n 
A 1 46  ASP 46  623 623 ASP ASP A . n 
A 1 47  GLY 47  624 624 GLY GLY A . n 
A 1 48  VAL 48  625 625 VAL VAL A . n 
A 1 49  TYR 49  626 626 TYR TYR A . n 
A 1 50  ASP 50  627 627 ASP ASP A . n 
A 1 51  MET 51  628 628 MET MET A . n 
A 1 52  LEU 52  629 629 LEU LEU A . n 
A 1 53  HIS 53  630 630 HIS HIS A . n 
A 1 54  LEU 54  631 631 LEU LEU A . n 
A 1 55  GLY 55  632 632 GLY GLY A . n 
A 1 56  HIS 56  633 633 HIS HIS A . n 
A 1 57  MET 57  634 634 MET MET A . n 
A 1 58  LYS 58  635 635 LYS LYS A . n 
A 1 59  GLN 59  636 636 GLN GLN A . n 
A 1 60  LEU 60  637 637 LEU LEU A . n 
A 1 61  GLU 61  638 638 GLU GLU A . n 
A 1 62  GLN 62  639 639 GLN GLN A . n 
A 1 63  ALA 63  640 640 ALA ALA A . n 
A 1 64  LYS 64  641 641 LYS LYS A . n 
A 1 65  LYS 65  642 642 LYS LYS A . n 
A 1 66  LEU 66  643 643 LEU LEU A . n 
A 1 67  PHE 67  644 644 PHE PHE A . n 
A 1 68  GLU 68  645 645 GLU GLU A . n 
A 1 69  ASN 69  646 646 ASN ASN A . n 
A 1 70  THR 70  647 647 THR THR A . n 
A 1 71  THR 71  648 648 THR THR A . n 
A 1 72  LEU 72  649 649 LEU LEU A . n 
A 1 73  ILE 73  650 650 ILE ILE A . n 
A 1 74  VAL 74  651 651 VAL VAL A . n 
A 1 75  GLY 75  652 652 GLY GLY A . n 
A 1 76  VAL 76  653 653 VAL VAL A . n 
A 1 77  THR 77  654 654 THR THR A . n 
A 1 78  SER 78  655 655 SER SER A . n 
A 1 79  ASP 79  656 656 ASP ASP A . n 
A 1 80  ASN 80  657 657 ASN ASN A . n 
A 1 81  GLU 81  658 658 GLU GLU A . n 
A 1 82  THR 82  659 659 THR THR A . n 
A 1 83  LYS 83  660 660 LYS LYS A . n 
A 1 84  LEU 84  661 661 LEU LEU A . n 
A 1 85  PHE 85  662 662 PHE PHE A . n 
A 1 86  LYS 86  663 663 LYS LYS A . n 
A 1 87  GLY 87  664 664 GLY GLY A . n 
A 1 88  GLN 88  665 665 GLN GLN A . n 
A 1 89  VAL 89  666 666 VAL VAL A . n 
A 1 90  VAL 90  667 667 VAL VAL A . n 
A 1 91  GLN 91  668 668 GLN GLN A . n 
A 1 92  THR 92  669 669 THR THR A . n 
A 1 93  LEU 93  670 670 LEU LEU A . n 
A 1 94  GLU 94  671 671 GLU GLU A . n 
A 1 95  GLU 95  672 672 GLU GLU A . n 
A 1 96  ARG 96  673 673 ARG ARG A . n 
A 1 97  THR 97  674 674 THR THR A . n 
A 1 98  GLU 98  675 675 GLU GLU A . n 
A 1 99  THR 99  676 676 THR THR A . n 
A 1 100 LEU 100 677 677 LEU LEU A . n 
A 1 101 LYS 101 678 678 LYS LYS A . n 
A 1 102 HIS 102 679 679 HIS HIS A . n 
A 1 103 ILE 103 680 680 ILE ILE A . n 
A 1 104 ARG 104 681 681 ARG ARG A . n 
A 1 105 TRP 105 682 682 TRP TRP A . n 
A 1 106 VAL 106 683 683 VAL VAL A . n 
A 1 107 ASP 107 684 684 ASP ASP A . n 
A 1 108 GLU 108 685 685 GLU GLU A . n 
A 1 109 ILE 109 686 686 ILE ILE A . n 
A 1 110 ILE 110 687 687 ILE ILE A . n 
A 1 111 SER 111 688 688 SER SER A . n 
A 1 112 PRO 112 689 689 PRO PRO A . n 
A 1 113 CYS 113 690 690 CYS CYS A . n 
A 1 114 PRO 114 691 691 PRO PRO A . n 
A 1 115 TRP 115 692 692 TRP TRP A . n 
A 1 116 VAL 116 693 693 VAL VAL A . n 
A 1 117 VAL 117 694 694 VAL VAL A . n 
A 1 118 THR 118 695 695 THR THR A . n 
A 1 119 PRO 119 696 696 PRO PRO A . n 
A 1 120 GLU 120 697 697 GLU GLU A . n 
A 1 121 PHE 121 698 698 PHE PHE A . n 
A 1 122 LEU 122 699 699 LEU LEU A . n 
A 1 123 GLU 123 700 700 GLU GLU A . n 
A 1 124 LYS 124 701 701 LYS LYS A . n 
A 1 125 TYR 125 702 702 TYR TYR A . n 
A 1 126 LYS 126 703 703 LYS LYS A . n 
A 1 127 ILE 127 704 704 ILE ILE A . n 
A 1 128 ASP 128 705 705 ASP ASP A . n 
A 1 129 TYR 129 706 706 TYR TYR A . n 
A 1 130 VAL 130 707 707 VAL VAL A . n 
A 1 131 ALA 131 708 708 ALA ALA A . n 
A 1 132 HIS 132 709 709 HIS HIS A . n 
A 1 133 ASP 133 710 710 ASP ASP A . n 
A 1 134 ASP 134 711 711 ASP ASP A . n 
A 1 135 ILE 135 730 ?   ?   ?   A . n 
A 1 136 PRO 136 731 ?   ?   ?   A . n 
A 1 137 TYR 137 732 ?   ?   ?   A . n 
A 1 138 ALA 138 733 ?   ?   ?   A . n 
A 1 139 ASN 139 734 ?   ?   ?   A . n 
A 1 140 ASN 140 735 ?   ?   ?   A . n 
A 1 141 GLN 141 736 ?   ?   ?   A . n 
A 1 142 LYS 142 737 ?   ?   ?   A . n 
A 1 143 GLU 143 738 ?   ?   ?   A . n 
A 1 144 ASP 144 739 739 ASP ASP A . n 
A 1 145 ILE 145 740 740 ILE ILE A . n 
A 1 146 TYR 146 741 741 TYR TYR A . n 
A 1 147 ALA 147 742 742 ALA ALA A . n 
A 1 148 TRP 148 743 743 TRP TRP A . n 
A 1 149 LEU 149 744 744 LEU LEU A . n 
A 1 150 LYS 150 745 745 LYS LYS A . n 
A 1 151 ARG 151 746 746 ARG ARG A . n 
A 1 152 ALA 152 747 747 ALA ALA A . n 
A 1 153 GLY 153 748 748 GLY GLY A . n 
A 1 154 LYS 154 749 749 LYS LYS A . n 
A 1 155 PHE 155 750 750 PHE PHE A . n 
A 1 156 LYS 156 751 751 LYS LYS A . n 
A 1 157 ALA 157 752 752 ALA ALA A . n 
A 1 158 THR 158 753 753 THR THR A . n 
A 1 159 GLN 159 754 754 GLN GLN A . n 
A 1 160 ARG 160 755 755 ARG ARG A . n 
A 1 161 THR 161 756 756 THR THR A . n 
A 1 162 GLU 162 757 757 GLU GLU A . n 
A 1 163 GLY 163 758 758 GLY GLY A . n 
A 1 164 VAL 164 759 759 VAL VAL A . n 
A 1 165 SER 165 760 760 SER SER A . n 
A 1 166 THR 166 761 761 THR THR A . n 
A 1 167 THR 167 762 762 THR THR A . n 
A 1 168 ASP 168 763 763 ASP ASP A . n 
A 1 169 LEU 169 764 764 LEU LEU A . n 
A 1 170 ILE 170 765 765 ILE ILE A . n 
A 1 171 VAL 171 766 766 VAL VAL A . n 
A 1 172 ARG 172 767 767 ARG ARG A . n 
A 1 173 ILE 173 768 768 ILE ILE A . n 
A 1 174 LEU 174 769 769 LEU LEU A . n 
A 1 175 LYS 175 770 770 LYS LYS A . n 
A 1 176 ASN 176 771 771 ASN ASN A . n 
A 1 177 TYR 177 772 772 TYR TYR A . n 
A 1 178 GLU 178 773 ?   ?   ?   A . n 
A 1 179 ASP 179 774 ?   ?   ?   A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        IRU 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   IRU 
_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 IRU 1   801  1   IRU LIG A . 
C 2 IRU 1   802  2   IRU LIG A . 
D 2 IRU 1   803  3   IRU LIG A . 
E 3 HOH 1   901  75  HOH HOH A . 
E 3 HOH 2   902  141 HOH HOH A . 
E 3 HOH 3   903  39  HOH HOH A . 
E 3 HOH 4   904  52  HOH HOH A . 
E 3 HOH 5   905  19  HOH HOH A . 
E 3 HOH 6   906  33  HOH HOH A . 
E 3 HOH 7   907  117 HOH HOH A . 
E 3 HOH 8   908  5   HOH HOH A . 
E 3 HOH 9   909  41  HOH HOH A . 
E 3 HOH 10  910  120 HOH HOH A . 
E 3 HOH 11  911  126 HOH HOH A . 
E 3 HOH 12  912  77  HOH HOH A . 
E 3 HOH 13  913  47  HOH HOH A . 
E 3 HOH 14  914  4   HOH HOH A . 
E 3 HOH 15  915  62  HOH HOH A . 
E 3 HOH 16  916  24  HOH HOH A . 
E 3 HOH 17  917  20  HOH HOH A . 
E 3 HOH 18  918  124 HOH HOH A . 
E 3 HOH 19  919  10  HOH HOH A . 
E 3 HOH 20  920  105 HOH HOH A . 
E 3 HOH 21  921  31  HOH HOH A . 
E 3 HOH 22  922  99  HOH HOH A . 
E 3 HOH 23  923  72  HOH HOH A . 
E 3 HOH 24  924  23  HOH HOH A . 
E 3 HOH 25  925  28  HOH HOH A . 
E 3 HOH 26  926  21  HOH HOH A . 
E 3 HOH 27  927  14  HOH HOH A . 
E 3 HOH 28  928  58  HOH HOH A . 
E 3 HOH 29  929  94  HOH HOH A . 
E 3 HOH 30  930  16  HOH HOH A . 
E 3 HOH 31  931  6   HOH HOH A . 
E 3 HOH 32  932  136 HOH HOH A . 
E 3 HOH 33  933  147 HOH HOH A . 
E 3 HOH 34  934  18  HOH HOH A . 
E 3 HOH 35  935  11  HOH HOH A . 
E 3 HOH 36  936  86  HOH HOH A . 
E 3 HOH 37  937  2   HOH HOH A . 
E 3 HOH 38  938  30  HOH HOH A . 
E 3 HOH 39  939  61  HOH HOH A . 
E 3 HOH 40  940  9   HOH HOH A . 
E 3 HOH 41  941  63  HOH HOH A . 
E 3 HOH 42  942  59  HOH HOH A . 
E 3 HOH 43  943  27  HOH HOH A . 
E 3 HOH 44  944  26  HOH HOH A . 
E 3 HOH 45  945  43  HOH HOH A . 
E 3 HOH 46  946  69  HOH HOH A . 
E 3 HOH 47  947  78  HOH HOH A . 
E 3 HOH 48  948  64  HOH HOH A . 
E 3 HOH 49  949  80  HOH HOH A . 
E 3 HOH 50  950  12  HOH HOH A . 
E 3 HOH 51  951  32  HOH HOH A . 
E 3 HOH 52  952  149 HOH HOH A . 
E 3 HOH 53  953  125 HOH HOH A . 
E 3 HOH 54  954  106 HOH HOH A . 
E 3 HOH 55  955  13  HOH HOH A . 
E 3 HOH 56  956  17  HOH HOH A . 
E 3 HOH 57  957  84  HOH HOH A . 
E 3 HOH 58  958  76  HOH HOH A . 
E 3 HOH 59  959  89  HOH HOH A . 
E 3 HOH 60  960  96  HOH HOH A . 
E 3 HOH 61  961  139 HOH HOH A . 
E 3 HOH 62  962  44  HOH HOH A . 
E 3 HOH 63  963  68  HOH HOH A . 
E 3 HOH 64  964  35  HOH HOH A . 
E 3 HOH 65  965  138 HOH HOH A . 
E 3 HOH 66  966  100 HOH HOH A . 
E 3 HOH 67  967  135 HOH HOH A . 
E 3 HOH 68  968  122 HOH HOH A . 
E 3 HOH 69  969  37  HOH HOH A . 
E 3 HOH 70  970  3   HOH HOH A . 
E 3 HOH 71  971  25  HOH HOH A . 
E 3 HOH 72  972  46  HOH HOH A . 
E 3 HOH 73  973  15  HOH HOH A . 
E 3 HOH 74  974  56  HOH HOH A . 
E 3 HOH 75  975  36  HOH HOH A . 
E 3 HOH 76  976  67  HOH HOH A . 
E 3 HOH 77  977  123 HOH HOH A . 
E 3 HOH 78  978  79  HOH HOH A . 
E 3 HOH 79  979  82  HOH HOH A . 
E 3 HOH 80  980  57  HOH HOH A . 
E 3 HOH 81  981  48  HOH HOH A . 
E 3 HOH 82  982  73  HOH HOH A . 
E 3 HOH 83  983  128 HOH HOH A . 
E 3 HOH 84  984  55  HOH HOH A . 
E 3 HOH 85  985  7   HOH HOH A . 
E 3 HOH 86  986  134 HOH HOH A . 
E 3 HOH 87  987  1   HOH HOH A . 
E 3 HOH 88  988  150 HOH HOH A . 
E 3 HOH 89  989  38  HOH HOH A . 
E 3 HOH 90  990  148 HOH HOH A . 
E 3 HOH 91  991  115 HOH HOH A . 
E 3 HOH 92  992  90  HOH HOH A . 
E 3 HOH 93  993  34  HOH HOH A . 
E 3 HOH 94  994  40  HOH HOH A . 
E 3 HOH 95  995  88  HOH HOH A . 
E 3 HOH 96  996  118 HOH HOH A . 
E 3 HOH 97  997  45  HOH HOH A . 
E 3 HOH 98  998  50  HOH HOH A . 
E 3 HOH 99  999  42  HOH HOH A . 
E 3 HOH 100 1000 93  HOH HOH A . 
E 3 HOH 101 1001 144 HOH HOH A . 
E 3 HOH 102 1002 83  HOH HOH A . 
E 3 HOH 103 1003 53  HOH HOH A . 
E 3 HOH 104 1004 131 HOH HOH A . 
E 3 HOH 105 1005 92  HOH HOH A . 
E 3 HOH 106 1006 95  HOH HOH A . 
E 3 HOH 107 1007 66  HOH HOH A . 
E 3 HOH 108 1008 85  HOH HOH A . 
E 3 HOH 109 1009 114 HOH HOH A . 
E 3 HOH 110 1010 98  HOH HOH A . 
E 3 HOH 111 1011 91  HOH HOH A . 
E 3 HOH 112 1012 104 HOH HOH A . 
E 3 HOH 113 1013 109 HOH HOH A . 
E 3 HOH 114 1014 103 HOH HOH A . 
E 3 HOH 115 1015 70  HOH HOH A . 
E 3 HOH 116 1016 8   HOH HOH A . 
E 3 HOH 117 1017 22  HOH HOH A . 
E 3 HOH 118 1018 97  HOH HOH A . 
E 3 HOH 119 1019 146 HOH HOH A . 
E 3 HOH 120 1020 113 HOH HOH A . 
E 3 HOH 121 1021 74  HOH HOH A . 
E 3 HOH 122 1022 119 HOH HOH A . 
E 3 HOH 123 1023 71  HOH HOH A . 
E 3 HOH 124 1024 137 HOH HOH A . 
E 3 HOH 125 1025 112 HOH HOH A . 
E 3 HOH 126 1026 142 HOH HOH A . 
E 3 HOH 127 1027 102 HOH HOH A . 
E 3 HOH 128 1028 60  HOH HOH A . 
E 3 HOH 129 1029 129 HOH HOH A . 
E 3 HOH 130 1030 110 HOH HOH A . 
E 3 HOH 131 1031 140 HOH HOH A . 
E 3 HOH 132 1032 65  HOH HOH A . 
E 3 HOH 133 1033 127 HOH HOH A . 
E 3 HOH 134 1034 49  HOH HOH A . 
E 3 HOH 135 1035 145 HOH HOH A . 
E 3 HOH 136 1036 116 HOH HOH A . 
E 3 HOH 137 1037 130 HOH HOH A . 
E 3 HOH 138 1038 121 HOH HOH A . 
E 3 HOH 139 1039 133 HOH HOH A . 
E 3 HOH 140 1040 143 HOH HOH A . 
E 3 HOH 141 1041 101 HOH HOH A . 
E 3 HOH 142 1042 87  HOH HOH A . 
E 3 HOH 143 1043 51  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 665 ? CG  ? A GLN 88  CG  
2  1 Y 1 A GLN 665 ? CD  ? A GLN 88  CD  
3  1 Y 1 A GLN 665 ? OE1 ? A GLN 88  OE1 
4  1 Y 1 A GLN 665 ? NE2 ? A GLN 88  NE2 
5  1 Y 1 A LYS 770 ? CG  ? A LYS 175 CG  
6  1 Y 1 A LYS 770 ? CD  ? A LYS 175 CD  
7  1 Y 1 A LYS 770 ? CE  ? A LYS 175 CE  
8  1 Y 1 A LYS 770 ? NZ  ? A LYS 175 NZ  
9  1 Y 1 A ASN 771 ? CG  ? A ASN 176 CG  
10 1 Y 1 A ASN 771 ? OD1 ? A ASN 176 OD1 
11 1 Y 1 A ASN 771 ? ND2 ? A ASN 176 ND2 
# 
_software.citation_id            ? 
_software.classification         refinement 
_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                   PHENIX 
_software.os                     ? 
_software.os_version             ? 
_software.type                   ? 
_software.version                1.19.2_4158 
_software.pdbx_ordinal           1 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9HSV 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     50.150 
_cell.length_a_esd                 ? 
_cell.length_b                     71.112 
_cell.length_b_esd                 ? 
_cell.length_c                     118.916 
_cell.length_c_esd                 ? 
_cell.volume                       424085.489 
_cell.volume_esd                   ? 
_cell.Z_PDB                        8 
_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                         9HSV 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                23 
_symmetry.space_group_name_Hall            'I 2 2' 
_symmetry.space_group_name_H-M             'I 2 2 2' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   9HSV 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             2.57 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          52.09 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, HANGING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              7.5 
_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    'PEG 3350 11.5%, NaF 210 mM, Glycerol 5.8%, MnCl2 15mM, 1,3 propandiol 3%' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            291.15 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS PILATUS3 6M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-06-10 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.965459 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'ESRF BEAMLINE MASSIF-1' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.965459 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   MASSIF-1 
_diffrn_source.pdbx_synchrotron_site       ESRF 
# 
_reflns.B_iso_Wilson_estimate                          23.87 
_reflns.entry_id                                       9HSV 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.55 
_reflns.d_resolution_low                               61.03 
_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                                     43699 
_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                           97.8 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                3.7 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          8.6 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                ? 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.987 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              ? 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.55 
_reflns_shell.d_res_low                                     1.58 
_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                             1447 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               ? 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               ? 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.141 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  ? 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               32.65 
_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                                 9HSV 
_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                            1.68 
_refine.ls_d_res_low                             61.03 
_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                     43699 
_refine.ls_number_reflns_R_free                  2095 
_refine.ls_number_reflns_R_work                  41604 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    93.21 
_refine.ls_percent_reflns_R_free                 4.79 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1989 
_refine.ls_R_factor_R_free                       0.2205 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1979 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'FLAT BULK SOLVENT MODEL' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          1.34 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       'GeoStd + Monomer Library + CDL v1.2' 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.1100 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.9000 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 23.4120 
_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                            0.2222 
_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                       1.68 
_refine_hist.d_res_low                        61.03 
_refine_hist.number_atoms_solvent             143 
_refine_hist.number_atoms_total               1220 
_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        1056 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         21 
_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' ? 0.0061  ? 1098 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.7147  ? 1483 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0542  ? 170  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0094  ? 182  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 14.1123 ? 399  ? f_dihedral_angle_d ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 1.68 1.72  . . 142 2809 95.07 . . . . 0.3032 . . . . . . . . . . . 0.3028 
'X-RAY DIFFRACTION' 1.72 1.76  . . 149 2844 95.14 . . . . 0.2864 . . . . . . . . . . . 0.3252 
'X-RAY DIFFRACTION' 1.76 1.81  . . 139 2804 94.24 . . . . 0.2571 . . . . . . . . . . . 0.2989 
'X-RAY DIFFRACTION' 1.81 1.86  . . 164 2820 94.31 . . . . 0.2407 . . . . . . . . . . . 0.2750 
'X-RAY DIFFRACTION' 1.86 1.92  . . 130 2736 92.60 . . . . 0.2319 . . . . . . . . . . . 0.2340 
'X-RAY DIFFRACTION' 1.92 1.99  . . 153 2764 92.84 . . . . 0.2305 . . . . . . . . . . . 0.2227 
'X-RAY DIFFRACTION' 1.99 2.07  . . 135 2771 93.92 . . . . 0.2164 . . . . . . . . . . . 0.2136 
'X-RAY DIFFRACTION' 2.07 2.17  . . 140 2854 94.90 . . . . 0.1919 . . . . . . . . . . . 0.2128 
'X-RAY DIFFRACTION' 2.17 2.28  . . 144 2769 93.67 . . . . 0.2039 . . . . . . . . . . . 0.2475 
'X-RAY DIFFRACTION' 2.28 2.42  . . 142 2740 92.91 . . . . 0.2087 . . . . . . . . . . . 0.2277 
'X-RAY DIFFRACTION' 2.42 2.61  . . 129 2760 92.18 . . . . 0.1989 . . . . . . . . . . . 0.2261 
'X-RAY DIFFRACTION' 2.61 2.87  . . 117 2800 93.43 . . . . 0.2092 . . . . . . . . . . . 0.2321 
'X-RAY DIFFRACTION' 2.87 3.29  . . 164 2708 92.29 . . . . 0.1893 . . . . . . . . . . . 0.1993 
'X-RAY DIFFRACTION' 3.29 4.14  . . 136 2704 90.53 . . . . 0.1732 . . . . . . . . . . . 0.2140 
'X-RAY DIFFRACTION' 4.14 61.03 . . 111 2721 90.33 . . . . 0.1699 . . . . . . . . . . . 0.1839 
# 
_struct.entry_id                     9HSV 
_struct.title                        
;Crystal structure of C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with (1H-pyrazol-3-yl)methanol
;
_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        9HSV 
_struct_keywords.text            'Transferase, CCT' 
_struct_keywords.pdbx_keywords   TRANSFERASE 
# 
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 2 ? 
D N N 2 ? 
E N N 3 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    Q8IEE9_PLAF7 
_struct_ref.pdbx_db_accession          Q8IEE9 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;AVPDDDDDDDNSNDESEYESSQMDSEKNKGSIKNSKNVVIYADGVYDMLHLGHMKQLEQAKKLFENTTLIVGVTSDNETK
LFKGQVVQTLEERTETLKHIRWVDEIISPCPWVVTPEFLEKYKIDYVAHDDIPYANNQKKKKKKKSKGKSFSFDEENEDI
YAWLKRAGKFKATQRTEGVSTTDLIVRILKNYED
;
_struct_ref.pdbx_align_begin           581 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9HSV 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 4 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 179 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             Q8IEE9 
_struct_ref_seq.db_align_beg                  581 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  774 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       581 
_struct_ref_seq.pdbx_auth_seq_align_end       774 
# 
loop_
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.seq_num 
_struct_ref_seq_dif.pdbx_pdb_ins_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.db_mon_id 
_struct_ref_seq_dif.pdbx_seq_db_seq_num 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_ordinal 
1 9HSV GLY A 1 ? UNP Q8IEE9 ?   ?   'expression tag' 578 1  
1 9HSV HIS A 2 ? UNP Q8IEE9 ?   ?   'expression tag' 579 2  
1 9HSV MET A 3 ? UNP Q8IEE9 ?   ?   'expression tag' 580 3  
1 9HSV ?   A ? ? UNP Q8IEE9 LYS 720 deletion         ?   4  
1 9HSV ?   A ? ? UNP Q8IEE9 LYS 721 deletion         ?   5  
1 9HSV ?   A ? ? UNP Q8IEE9 LYS 722 deletion         ?   6  
1 9HSV ?   A ? ? UNP Q8IEE9 LYS 723 deletion         ?   7  
1 9HSV ?   A ? ? UNP Q8IEE9 LYS 724 deletion         ?   8  
1 9HSV ?   A ? ? UNP Q8IEE9 LYS 725 deletion         ?   9  
1 9HSV ?   A ? ? UNP Q8IEE9 SER 726 deletion         ?   10 
1 9HSV ?   A ? ? UNP Q8IEE9 LYS 727 deletion         ?   11 
1 9HSV ?   A ? ? UNP Q8IEE9 GLY 728 deletion         ?   12 
1 9HSV ?   A ? ? UNP Q8IEE9 LYS 729 deletion         ?   13 
1 9HSV ?   A ? ? UNP Q8IEE9 SER 730 deletion         ?   14 
1 9HSV ?   A ? ? UNP Q8IEE9 PHE 731 deletion         ?   15 
1 9HSV ?   A ? ? UNP Q8IEE9 SER 732 deletion         ?   16 
1 9HSV ?   A ? ? UNP Q8IEE9 PHE 733 deletion         ?   17 
1 9HSV ?   A ? ? UNP Q8IEE9 ASP 734 deletion         ?   18 
1 9HSV ?   A ? ? UNP Q8IEE9 GLU 735 deletion         ?   19 
1 9HSV ?   A ? ? UNP Q8IEE9 GLU 736 deletion         ?   20 
1 9HSV ?   A ? ? UNP Q8IEE9 ASN 737 deletion         ?   21 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   dimeric 
_pdbx_struct_assembly.oligomeric_count     2 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 1930  ? 
1 MORE         -8    ? 
1 'SSA (A^2)'  14060 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1,2 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'gel filtration' 
_pdbx_struct_assembly_auth_evidence.details                Dimeric 
# 
loop_
_pdbx_struct_oper_list.id 
_pdbx_struct_oper_list.type 
_pdbx_struct_oper_list.name 
_pdbx_struct_oper_list.symmetry_operation 
_pdbx_struct_oper_list.matrix[1][1] 
_pdbx_struct_oper_list.matrix[1][2] 
_pdbx_struct_oper_list.matrix[1][3] 
_pdbx_struct_oper_list.vector[1] 
_pdbx_struct_oper_list.matrix[2][1] 
_pdbx_struct_oper_list.matrix[2][2] 
_pdbx_struct_oper_list.matrix[2][3] 
_pdbx_struct_oper_list.vector[2] 
_pdbx_struct_oper_list.matrix[3][1] 
_pdbx_struct_oper_list.matrix[3][2] 
_pdbx_struct_oper_list.matrix[3][3] 
_pdbx_struct_oper_list.vector[3] 
1 'identity operation'         1_555 x,y,z     1.0000000000  0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000  
0.0000000000 0.0000000000   0.0000000000 0.0000000000 1.0000000000 0.0000000000 
2 'crystal symmetry operation' 2_545 -x,-y-1,z -1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 
0.0000000000 -71.1120000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 HIS A 53  ? LYS A 65  ? HIS A 630 LYS A 642 1 ? 13 
HELX_P HELX_P2 AA2 SER A 78  ? LYS A 86  ? SER A 655 LYS A 663 1 ? 9  
HELX_P HELX_P3 AA3 THR A 92  ? LYS A 101 ? THR A 669 LYS A 678 1 ? 10 
HELX_P HELX_P4 AA4 THR A 118 ? TYR A 125 ? THR A 695 TYR A 702 1 ? 8  
HELX_P HELX_P5 AA5 TYR A 146 ? GLY A 153 ? TYR A 741 GLY A 748 1 ? 8  
HELX_P HELX_P6 AA6 SER A 165 ? ASN A 176 ? SER A 760 ASN A 771 1 ? 12 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          SER 
_struct_mon_prot_cis.label_seq_id           111 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           SER 
_struct_mon_prot_cis.auth_seq_id            688 
_struct_mon_prot_cis.auth_asym_id           A 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    112 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     689 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    A 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       0.77 
# 
_struct_sheet.id               AA1 
_struct_sheet.type             ? 
_struct_sheet.number_strands   5 
_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 ? parallel 
AA1 2 3 ? parallel 
AA1 3 4 ? parallel 
AA1 4 5 ? 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 108 ? CYS A 113 ? GLU A 685 CYS A 690 
AA1 2 ASN A 69  ? THR A 77  ? ASN A 646 THR A 654 
AA1 3 ASN A 40  ? GLY A 47  ? ASN A 617 GLY A 624 
AA1 4 TYR A 129 ? HIS A 132 ? TYR A 706 HIS A 709 
AA1 5 PHE A 155 ? ALA A 157 ? PHE A 750 ALA A 752 
# 
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 O ILE A 110 ? O ILE A 687 N VAL A 74  ? N VAL A 651 
AA1 2 3 O ILE A 73  ? O ILE A 650 N ILE A 43  ? N ILE A 620 
AA1 3 4 N TYR A 44  ? N TYR A 621 O ALA A 131 ? O ALA A 708 
AA1 4 5 N VAL A 130 ? N VAL A 707 O LYS A 156 ? O LYS A 751 
# 
_pdbx_entry_details.entry_id                   9HSV 
_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 NZ A LYS 663 ? ? O A HOH 901  ? ? 2.03 
2 1 O  A HOH 946 ? ? O A HOH 1020 ? ? 2.11 
# 
loop_
_space_group_symop.id 
_space_group_symop.operation_xyz 
1 x,y,z               
2 x,-y,-z             
3 -x,y,-z             
4 -x,-y,z             
5 x+1/2,y+1/2,z+1/2   
6 x+1/2,-y+1/2,-z+1/2 
7 -x+1/2,y+1/2,-z+1/2 
8 -x+1/2,-y+1/2,z+1/2 
# 
loop_
_pdbx_refine_tls.id 
_pdbx_refine_tls.pdbx_refine_id 
_pdbx_refine_tls.details 
_pdbx_refine_tls.method 
_pdbx_refine_tls.origin_x 
_pdbx_refine_tls.origin_y 
_pdbx_refine_tls.origin_z 
_pdbx_refine_tls.T[1][1] 
_pdbx_refine_tls.T[1][1]_esd 
_pdbx_refine_tls.T[1][2] 
_pdbx_refine_tls.T[1][2]_esd 
_pdbx_refine_tls.T[1][3] 
_pdbx_refine_tls.T[1][3]_esd 
_pdbx_refine_tls.T[2][2] 
_pdbx_refine_tls.T[2][2]_esd 
_pdbx_refine_tls.T[2][3] 
_pdbx_refine_tls.T[2][3]_esd 
_pdbx_refine_tls.T[3][3] 
_pdbx_refine_tls.T[3][3]_esd 
_pdbx_refine_tls.L[1][1] 
_pdbx_refine_tls.L[1][1]_esd 
_pdbx_refine_tls.L[1][2] 
_pdbx_refine_tls.L[1][2]_esd 
_pdbx_refine_tls.L[1][3] 
_pdbx_refine_tls.L[1][3]_esd 
_pdbx_refine_tls.L[2][2] 
_pdbx_refine_tls.L[2][2]_esd 
_pdbx_refine_tls.L[2][3] 
_pdbx_refine_tls.L[2][3]_esd 
_pdbx_refine_tls.L[3][3] 
_pdbx_refine_tls.L[3][3]_esd 
_pdbx_refine_tls.S[1][1] 
_pdbx_refine_tls.S[1][1]_esd 
_pdbx_refine_tls.S[1][2] 
_pdbx_refine_tls.S[1][2]_esd 
_pdbx_refine_tls.S[1][3] 
_pdbx_refine_tls.S[1][3]_esd 
_pdbx_refine_tls.S[2][1] 
_pdbx_refine_tls.S[2][1]_esd 
_pdbx_refine_tls.S[2][2] 
_pdbx_refine_tls.S[2][2]_esd 
_pdbx_refine_tls.S[2][3] 
_pdbx_refine_tls.S[2][3]_esd 
_pdbx_refine_tls.S[3][1] 
_pdbx_refine_tls.S[3][1]_esd 
_pdbx_refine_tls.S[3][2] 
_pdbx_refine_tls.S[3][2]_esd 
_pdbx_refine_tls.S[3][3] 
_pdbx_refine_tls.S[3][3]_esd 
1 'X-RAY DIFFRACTION' ? refined -4.93167524103 -24.0543103234 -23.8868169144 0.103513853773 ? 0.0268496229787   ? 0.03369133194    
? 0.14725888923  ? -0.00589539726752 ? 0.133125316271 ? 4.26005768225 ? 0.489156415053  ? 1.33501155598  ? 4.26356967435 ? 
0.0493123308612 ? 3.27810092304  ? 0.00719410820231 ? -0.211087948111 ? 0.0503666329669  ? 0.179671736246 ? -0.0202193091015 ? 
0.118403788983   ? -0.0241289902973 ? -0.107419246928   ? 0.0146055263906 ? 
2 'X-RAY DIFFRACTION' ? refined 1.86255308417  -22.6104343517 -9.69378149654 0.395012182561 ? -0.0395115115657  ? 0.0504668675769  
? 0.479733182187 ? -0.0497117110408  ? 0.315467432992 ? 5.28904197717 ? -5.22203879159  ? -4.70396354679 ? 5.25927365352 ? 
4.5246521846    ? 5.68382664818  ? 0.180287221461   ? -0.458543064922 ? 0.00364356546351 ? 1.01758658481  ? -0.38584444177   ? 
0.762940021438   ? -0.412589571551  ? -0.486243051869   ? 0.0505323932066 ? 
3 'X-RAY DIFFRACTION' ? refined 1.93941019471  -23.746201853  -23.2584578355 0.105984471487 ? -0.00679987120868 ? 0.0242246566649  
? 0.150371403821 ? 0.0154505967426   ? 0.120917469149 ? 5.05429654558 ? -0.141369705152 ? 1.55928837727  ? 5.37181160048 ? 
0.4337375867    ? 2.68279987117  ? -0.0597927681626 ? -0.130621064549 ? -0.0635076803768 ? 0.176274937356 ? -0.0535344997543 ? 
-0.137699636202  ? -0.054428838464  ? -0.00641790671505 ? 0.0862947229323 ? 
4 'X-RAY DIFFRACTION' ? refined -8.22430188475 -13.9341685821 -28.0458537673 0.179098619267 ? 0.0260462369589   ? -0.0558426584356 
? 0.147614434325 ? 0.00716849659158  ? 0.212414224956 ? 9.43253558732 ? -0.310611757277 ? 0.772444389123 ? 7.01629415751 ? 
1.56701112828   ? 3.57375975829  ? -0.156110042411  ? -0.158095527765 ? 0.436345887126   ? 0.207832706546 ? 0.050625250423   ? 
-0.0874725485589 ? -0.19818761487   ? 0.136159981126    ? 0.0752725548932 ? 
5 'X-RAY DIFFRACTION' ? refined -15.7689411123 -13.9630137101 -27.322611869  0.18734915254  ? 0.0160035938456   ? 0.0399454284997  
? 0.230267786056 ? -0.0184309533659  ? 0.231599057629 ? 5.70197374897 ? 0.564727988724  ? 1.45517858203  ? 8.18692875401 ? 
-1.95359357968  ? 5.68809796192  ? -0.174161278575  ? -0.193590505839 ? 0.233016224929   ? 0.352416643572 ? 0.0788651586509  ? 
0.15104945525    ? -0.22314680073   ? 0.0244059841903   ? 0.0868592006661 ? 
6 'X-RAY DIFFRACTION' ? refined -12.7669072404 -30.924523906  -14.6482721846 0.650190690437 ? 0.0398580451997   ? 0.178808944575   
? 0.750220374033 ? 0.0426819145371   ? 0.588717108281 ? 9.20377659857 ? -4.1520992301   ? 4.97244584098  ? 7.29705468845 ? 
-4.79031031868  ? 3.93924577012  ? -0.481257669762  ? -1.58536835608  ? -0.44825795853   ? 1.06381322044  ? 0.209842612588   ? 
0.394637970607   ? -0.116711299902  ? -0.824281573884   ? 0.215135649159  ? 
7 'X-RAY DIFFRACTION' ? refined -5.38451187485 -39.6017640745 -2.87520490023 0.789577451292 ? -0.20616936193    ? -0.0450915113616 
? 0.676355389859 ? -0.219700123263   ? 0.501577789529 ? 4.69126615118 ? 1.54878145451   ? 0.401762469748 ? 1.72997527135 ? 
-0.707472993846 ? 0.777299767145 ? 0.152052082139   ? -0.744655287651 ? 0.0477739829889  ? 1.34061651689  ? -0.249827303988  ? 
-0.94774176074   ? -0.658583284954  ? -0.160846572557   ? 0.0295963486936 ? 
# 
loop_
_pdbx_refine_tls_group.id 
_pdbx_refine_tls_group.pdbx_refine_id 
_pdbx_refine_tls_group.refine_tls_id 
_pdbx_refine_tls_group.beg_label_asym_id 
_pdbx_refine_tls_group.beg_label_seq_id 
_pdbx_refine_tls_group.beg_auth_asym_id 
_pdbx_refine_tls_group.beg_auth_seq_id 
_pdbx_refine_tls_group.beg_PDB_ins_code 
_pdbx_refine_tls_group.end_label_asym_id 
_pdbx_refine_tls_group.end_label_seq_id 
_pdbx_refine_tls_group.end_auth_asym_id 
_pdbx_refine_tls_group.end_auth_seq_id 
_pdbx_refine_tls_group.end_PDB_ins_code 
_pdbx_refine_tls_group.selection 
_pdbx_refine_tls_group.selection_details 
1 'X-RAY DIFFRACTION' 1 A 1   A 616 ? A 47  A 662 ? ? 
;chain 'A' and (resid 616 through 662 )
;
2 'X-RAY DIFFRACTION' 2 A 48  A 663 ? A 54  A 669 ? ? 
;chain 'A' and (resid 663 through 669 )
;
3 'X-RAY DIFFRACTION' 3 A 55  A 670 ? A 80  A 695 ? ? 
;chain 'A' and (resid 670 through 695 )
;
4 'X-RAY DIFFRACTION' 4 A 81  A 696 ? A 99  A 741 ? ? 
;chain 'A' and (resid 696 through 741 )
;
5 'X-RAY DIFFRACTION' 5 A 100 A 742 ? A 111 A 753 ? ? 
;chain 'A' and (resid 742 through 753 )
;
6 'X-RAY DIFFRACTION' 6 A 112 A 754 ? A 118 A 760 ? ? 
;chain 'A' and (resid 754 through 760 )
;
7 'X-RAY DIFFRACTION' 7 A 119 A 761 ? A 130 A 772 ? ? 
;chain 'A' and (resid 761 through 774 )
;
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1  1 Y 1 A GLY 578 ? A GLY 1   
2  1 Y 1 A HIS 579 ? A HIS 2   
3  1 Y 1 A MET 580 ? A MET 3   
4  1 Y 1 A ALA 581 ? A ALA 4   
5  1 Y 1 A VAL 582 ? A VAL 5   
6  1 Y 1 A PRO 583 ? A PRO 6   
7  1 Y 1 A ASP 584 ? A ASP 7   
8  1 Y 1 A ASP 585 ? A ASP 8   
9  1 Y 1 A ASP 586 ? A ASP 9   
10 1 Y 1 A ASP 587 ? A ASP 10  
11 1 Y 1 A ASP 588 ? A ASP 11  
12 1 Y 1 A ASP 589 ? A ASP 12  
13 1 Y 1 A ASP 590 ? A ASP 13  
14 1 Y 1 A ASN 591 ? A ASN 14  
15 1 Y 1 A SER 592 ? A SER 15  
16 1 Y 1 A ASN 593 ? A ASN 16  
17 1 Y 1 A ASP 594 ? A ASP 17  
18 1 Y 1 A GLU 595 ? A GLU 18  
19 1 Y 1 A SER 596 ? A SER 19  
20 1 Y 1 A GLU 597 ? A GLU 20  
21 1 Y 1 A TYR 598 ? A TYR 21  
22 1 Y 1 A GLU 599 ? A GLU 22  
23 1 Y 1 A SER 600 ? A SER 23  
24 1 Y 1 A SER 601 ? A SER 24  
25 1 Y 1 A GLN 602 ? A GLN 25  
26 1 Y 1 A MET 603 ? A MET 26  
27 1 Y 1 A ASP 604 ? A ASP 27  
28 1 Y 1 A SER 605 ? A SER 28  
29 1 Y 1 A GLU 606 ? A GLU 29  
30 1 Y 1 A LYS 607 ? A LYS 30  
31 1 Y 1 A ASN 608 ? A ASN 31  
32 1 Y 1 A LYS 609 ? A LYS 32  
33 1 Y 1 A GLY 610 ? A GLY 33  
34 1 Y 1 A SER 611 ? A SER 34  
35 1 Y 1 A ILE 612 ? A ILE 35  
36 1 Y 1 A LYS 613 ? A LYS 36  
37 1 Y 1 A ASN 614 ? A ASN 37  
38 1 Y 1 A SER 615 ? A SER 38  
39 1 Y 1 A ILE 730 ? A ILE 135 
40 1 Y 1 A PRO 731 ? A PRO 136 
41 1 Y 1 A TYR 732 ? A TYR 137 
42 1 Y 1 A ALA 733 ? A ALA 138 
43 1 Y 1 A ASN 734 ? A ASN 139 
44 1 Y 1 A ASN 735 ? A ASN 140 
45 1 Y 1 A GLN 736 ? A GLN 141 
46 1 Y 1 A LYS 737 ? A LYS 142 
47 1 Y 1 A GLU 738 ? A GLU 143 
48 1 Y 1 A GLU 773 ? A GLU 178 
49 1 Y 1 A ASP 774 ? A ASP 179 
# 
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 
HIS N    N N N 137 
HIS CA   C N S 138 
HIS C    C N N 139 
HIS O    O N N 140 
HIS CB   C N N 141 
HIS CG   C Y N 142 
HIS ND1  N Y N 143 
HIS CD2  C Y N 144 
HIS CE1  C Y N 145 
HIS NE2  N Y N 146 
HIS OXT  O N N 147 
HIS H    H N N 148 
HIS H2   H N N 149 
HIS HA   H N N 150 
HIS HB2  H N N 151 
HIS HB3  H N N 152 
HIS HD1  H N N 153 
HIS HD2  H N N 154 
HIS HE1  H N N 155 
HIS HE2  H N N 156 
HIS HXT  H N N 157 
HOH O    O N N 158 
HOH H1   H N N 159 
HOH H2   H N N 160 
ILE N    N N N 161 
ILE CA   C N S 162 
ILE C    C N N 163 
ILE O    O N N 164 
ILE CB   C N S 165 
ILE CG1  C N N 166 
ILE CG2  C N N 167 
ILE CD1  C N N 168 
ILE OXT  O N N 169 
ILE H    H N N 170 
ILE H2   H N N 171 
ILE HA   H N N 172 
ILE HB   H N N 173 
ILE HG12 H N N 174 
ILE HG13 H N N 175 
ILE HG21 H N N 176 
ILE HG22 H N N 177 
ILE HG23 H N N 178 
ILE HD11 H N N 179 
ILE HD12 H N N 180 
ILE HD13 H N N 181 
ILE HXT  H N N 182 
IRU C02  C N N 183 
IRU C03  C Y N 184 
IRU C04  C Y N 185 
IRU C05  C Y N 186 
IRU N06  N Y N 187 
IRU N07  N Y N 188 
IRU O01  O N N 189 
IRU H022 H N N 190 
IRU H021 H N N 191 
IRU H041 H N N 192 
IRU H051 H N N 193 
IRU H071 H N N 194 
IRU H011 H N N 195 
LEU N    N N N 196 
LEU CA   C N S 197 
LEU C    C N N 198 
LEU O    O N N 199 
LEU CB   C N N 200 
LEU CG   C N N 201 
LEU CD1  C N N 202 
LEU CD2  C N N 203 
LEU OXT  O N N 204 
LEU H    H N N 205 
LEU H2   H N N 206 
LEU HA   H N N 207 
LEU HB2  H N N 208 
LEU HB3  H N N 209 
LEU HG   H N N 210 
LEU HD11 H N N 211 
LEU HD12 H N N 212 
LEU HD13 H N N 213 
LEU HD21 H N N 214 
LEU HD22 H N N 215 
LEU HD23 H N N 216 
LEU HXT  H N N 217 
LYS N    N N N 218 
LYS CA   C N S 219 
LYS C    C N N 220 
LYS O    O N N 221 
LYS CB   C N N 222 
LYS CG   C N N 223 
LYS CD   C N N 224 
LYS CE   C N N 225 
LYS NZ   N N N 226 
LYS OXT  O N N 227 
LYS H    H N N 228 
LYS H2   H N N 229 
LYS HA   H N N 230 
LYS HB2  H N N 231 
LYS HB3  H N N 232 
LYS HG2  H N N 233 
LYS HG3  H N N 234 
LYS HD2  H N N 235 
LYS HD3  H N N 236 
LYS HE2  H N N 237 
LYS HE3  H N N 238 
LYS HZ1  H N N 239 
LYS HZ2  H N N 240 
LYS HZ3  H N N 241 
LYS HXT  H N N 242 
MET N    N N N 243 
MET CA   C N S 244 
MET C    C N N 245 
MET O    O N N 246 
MET CB   C N N 247 
MET CG   C N N 248 
MET SD   S N N 249 
MET CE   C N N 250 
MET OXT  O N N 251 
MET H    H N N 252 
MET H2   H N N 253 
MET HA   H N N 254 
MET HB2  H N N 255 
MET HB3  H N N 256 
MET HG2  H N N 257 
MET HG3  H N N 258 
MET HE1  H N N 259 
MET HE2  H N N 260 
MET HE3  H N N 261 
MET HXT  H N N 262 
PHE N    N N N 263 
PHE CA   C N S 264 
PHE C    C N N 265 
PHE O    O N N 266 
PHE CB   C N N 267 
PHE CG   C Y N 268 
PHE CD1  C Y N 269 
PHE CD2  C Y N 270 
PHE CE1  C Y N 271 
PHE CE2  C Y N 272 
PHE CZ   C Y N 273 
PHE OXT  O N N 274 
PHE H    H N N 275 
PHE H2   H N N 276 
PHE HA   H N N 277 
PHE HB2  H N N 278 
PHE HB3  H N N 279 
PHE HD1  H N N 280 
PHE HD2  H N N 281 
PHE HE1  H N N 282 
PHE HE2  H N N 283 
PHE HZ   H N N 284 
PHE HXT  H N N 285 
PRO N    N N N 286 
PRO CA   C N S 287 
PRO C    C N N 288 
PRO O    O N N 289 
PRO CB   C N N 290 
PRO CG   C N N 291 
PRO CD   C N N 292 
PRO OXT  O N N 293 
PRO H    H N N 294 
PRO HA   H N N 295 
PRO HB2  H N N 296 
PRO HB3  H N N 297 
PRO HG2  H N N 298 
PRO HG3  H N N 299 
PRO HD2  H N N 300 
PRO HD3  H N N 301 
PRO HXT  H N N 302 
SER N    N N N 303 
SER CA   C N S 304 
SER C    C N N 305 
SER O    O N N 306 
SER CB   C N N 307 
SER OG   O N N 308 
SER OXT  O N N 309 
SER H    H N N 310 
SER H2   H N N 311 
SER HA   H N N 312 
SER HB2  H N N 313 
SER HB3  H N N 314 
SER HG   H N N 315 
SER HXT  H N N 316 
THR N    N N N 317 
THR CA   C N S 318 
THR C    C N N 319 
THR O    O N N 320 
THR CB   C N R 321 
THR OG1  O N N 322 
THR CG2  C N N 323 
THR OXT  O N N 324 
THR H    H N N 325 
THR H2   H N N 326 
THR HA   H N N 327 
THR HB   H N N 328 
THR HG1  H N N 329 
THR HG21 H N N 330 
THR HG22 H N N 331 
THR HG23 H N N 332 
THR HXT  H N N 333 
TRP N    N N N 334 
TRP CA   C N S 335 
TRP C    C N N 336 
TRP O    O N N 337 
TRP CB   C N N 338 
TRP CG   C Y N 339 
TRP CD1  C Y N 340 
TRP CD2  C Y N 341 
TRP NE1  N Y N 342 
TRP CE2  C Y N 343 
TRP CE3  C Y N 344 
TRP CZ2  C Y N 345 
TRP CZ3  C Y N 346 
TRP CH2  C Y N 347 
TRP OXT  O N N 348 
TRP H    H N N 349 
TRP H2   H N N 350 
TRP HA   H N N 351 
TRP HB2  H N N 352 
TRP HB3  H N N 353 
TRP HD1  H N N 354 
TRP HE1  H N N 355 
TRP HE3  H N N 356 
TRP HZ2  H N N 357 
TRP HZ3  H N N 358 
TRP HH2  H N N 359 
TRP HXT  H N N 360 
TYR N    N N N 361 
TYR CA   C N S 362 
TYR C    C N N 363 
TYR O    O N N 364 
TYR CB   C N N 365 
TYR CG   C Y N 366 
TYR CD1  C Y N 367 
TYR CD2  C Y N 368 
TYR CE1  C Y N 369 
TYR CE2  C Y N 370 
TYR CZ   C Y N 371 
TYR OH   O N N 372 
TYR OXT  O N N 373 
TYR H    H N N 374 
TYR H2   H N N 375 
TYR HA   H N N 376 
TYR HB2  H N N 377 
TYR HB3  H N N 378 
TYR HD1  H N N 379 
TYR HD2  H N N 380 
TYR HE1  H N N 381 
TYR HE2  H N N 382 
TYR HH   H N N 383 
TYR HXT  H N N 384 
VAL N    N N N 385 
VAL CA   C N S 386 
VAL C    C N N 387 
VAL O    O N N 388 
VAL CB   C N N 389 
VAL CG1  C N N 390 
VAL CG2  C N N 391 
VAL OXT  O N N 392 
VAL H    H N N 393 
VAL H2   H N N 394 
VAL HA   H N N 395 
VAL HB   H N N 396 
VAL HG11 H N N 397 
VAL HG12 H N N 398 
VAL HG13 H N N 399 
VAL HG21 H N N 400 
VAL HG22 H N N 401 
VAL HG23 H N N 402 
VAL HXT  H N N 403 
# 
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 
HIS N   CA   sing N N 129 
HIS N   H    sing N N 130 
HIS N   H2   sing N N 131 
HIS CA  C    sing N N 132 
HIS CA  CB   sing N N 133 
HIS CA  HA   sing N N 134 
HIS C   O    doub N N 135 
HIS C   OXT  sing N N 136 
HIS CB  CG   sing N N 137 
HIS CB  HB2  sing N N 138 
HIS CB  HB3  sing N N 139 
HIS CG  ND1  sing Y N 140 
HIS CG  CD2  doub Y N 141 
HIS ND1 CE1  doub Y N 142 
HIS ND1 HD1  sing N N 143 
HIS CD2 NE2  sing Y N 144 
HIS CD2 HD2  sing N N 145 
HIS CE1 NE2  sing Y N 146 
HIS CE1 HE1  sing N N 147 
HIS NE2 HE2  sing N N 148 
HIS OXT HXT  sing N N 149 
HOH O   H1   sing N N 150 
HOH O   H2   sing N N 151 
ILE N   CA   sing N N 152 
ILE N   H    sing N N 153 
ILE N   H2   sing N N 154 
ILE CA  C    sing N N 155 
ILE CA  CB   sing N N 156 
ILE CA  HA   sing N N 157 
ILE C   O    doub N N 158 
ILE C   OXT  sing N N 159 
ILE CB  CG1  sing N N 160 
ILE CB  CG2  sing N N 161 
ILE CB  HB   sing N N 162 
ILE CG1 CD1  sing N N 163 
ILE CG1 HG12 sing N N 164 
ILE CG1 HG13 sing N N 165 
ILE CG2 HG21 sing N N 166 
ILE CG2 HG22 sing N N 167 
ILE CG2 HG23 sing N N 168 
ILE CD1 HD11 sing N N 169 
ILE CD1 HD12 sing N N 170 
ILE CD1 HD13 sing N N 171 
ILE OXT HXT  sing N N 172 
IRU N06 N07  sing Y N 173 
IRU N06 C05  doub Y N 174 
IRU N07 C03  sing Y N 175 
IRU C05 C04  sing Y N 176 
IRU C03 C04  doub Y N 177 
IRU C03 C02  sing N N 178 
IRU C02 O01  sing N N 179 
IRU C02 H022 sing N N 180 
IRU C02 H021 sing N N 181 
IRU C04 H041 sing N N 182 
IRU C05 H051 sing N N 183 
IRU N07 H071 sing N N 184 
IRU O01 H011 sing N N 185 
LEU N   CA   sing N N 186 
LEU N   H    sing N N 187 
LEU N   H2   sing N N 188 
LEU CA  C    sing N N 189 
LEU CA  CB   sing N N 190 
LEU CA  HA   sing N N 191 
LEU C   O    doub N N 192 
LEU C   OXT  sing N N 193 
LEU CB  CG   sing N N 194 
LEU CB  HB2  sing N N 195 
LEU CB  HB3  sing N N 196 
LEU CG  CD1  sing N N 197 
LEU CG  CD2  sing N N 198 
LEU CG  HG   sing N N 199 
LEU CD1 HD11 sing N N 200 
LEU CD1 HD12 sing N N 201 
LEU CD1 HD13 sing N N 202 
LEU CD2 HD21 sing N N 203 
LEU CD2 HD22 sing N N 204 
LEU CD2 HD23 sing N N 205 
LEU OXT HXT  sing N N 206 
LYS N   CA   sing N N 207 
LYS N   H    sing N N 208 
LYS N   H2   sing N N 209 
LYS CA  C    sing N N 210 
LYS CA  CB   sing N N 211 
LYS CA  HA   sing N N 212 
LYS C   O    doub N N 213 
LYS C   OXT  sing N N 214 
LYS CB  CG   sing N N 215 
LYS CB  HB2  sing N N 216 
LYS CB  HB3  sing N N 217 
LYS CG  CD   sing N N 218 
LYS CG  HG2  sing N N 219 
LYS CG  HG3  sing N N 220 
LYS CD  CE   sing N N 221 
LYS CD  HD2  sing N N 222 
LYS CD  HD3  sing N N 223 
LYS CE  NZ   sing N N 224 
LYS CE  HE2  sing N N 225 
LYS CE  HE3  sing N N 226 
LYS NZ  HZ1  sing N N 227 
LYS NZ  HZ2  sing N N 228 
LYS NZ  HZ3  sing N N 229 
LYS OXT HXT  sing N N 230 
MET N   CA   sing N N 231 
MET N   H    sing N N 232 
MET N   H2   sing N N 233 
MET CA  C    sing N N 234 
MET CA  CB   sing N N 235 
MET CA  HA   sing N N 236 
MET C   O    doub N N 237 
MET C   OXT  sing N N 238 
MET CB  CG   sing N N 239 
MET CB  HB2  sing N N 240 
MET CB  HB3  sing N N 241 
MET CG  SD   sing N N 242 
MET CG  HG2  sing N N 243 
MET CG  HG3  sing N N 244 
MET SD  CE   sing N N 245 
MET CE  HE1  sing N N 246 
MET CE  HE2  sing N N 247 
MET CE  HE3  sing N N 248 
MET OXT HXT  sing N N 249 
PHE N   CA   sing N N 250 
PHE N   H    sing N N 251 
PHE N   H2   sing N N 252 
PHE CA  C    sing N N 253 
PHE CA  CB   sing N N 254 
PHE CA  HA   sing N N 255 
PHE C   O    doub N N 256 
PHE C   OXT  sing N N 257 
PHE CB  CG   sing N N 258 
PHE CB  HB2  sing N N 259 
PHE CB  HB3  sing N N 260 
PHE CG  CD1  doub Y N 261 
PHE CG  CD2  sing Y N 262 
PHE CD1 CE1  sing Y N 263 
PHE CD1 HD1  sing N N 264 
PHE CD2 CE2  doub Y N 265 
PHE CD2 HD2  sing N N 266 
PHE CE1 CZ   doub Y N 267 
PHE CE1 HE1  sing N N 268 
PHE CE2 CZ   sing Y N 269 
PHE CE2 HE2  sing N N 270 
PHE CZ  HZ   sing N N 271 
PHE OXT HXT  sing N N 272 
PRO N   CA   sing N N 273 
PRO N   CD   sing N N 274 
PRO N   H    sing N N 275 
PRO CA  C    sing N N 276 
PRO CA  CB   sing N N 277 
PRO CA  HA   sing N N 278 
PRO C   O    doub N N 279 
PRO C   OXT  sing N N 280 
PRO CB  CG   sing N N 281 
PRO CB  HB2  sing N N 282 
PRO CB  HB3  sing N N 283 
PRO CG  CD   sing N N 284 
PRO CG  HG2  sing N N 285 
PRO CG  HG3  sing N N 286 
PRO CD  HD2  sing N N 287 
PRO CD  HD3  sing N N 288 
PRO OXT HXT  sing N N 289 
SER N   CA   sing N N 290 
SER N   H    sing N N 291 
SER N   H2   sing N N 292 
SER CA  C    sing N N 293 
SER CA  CB   sing N N 294 
SER CA  HA   sing N N 295 
SER C   O    doub N N 296 
SER C   OXT  sing N N 297 
SER CB  OG   sing N N 298 
SER CB  HB2  sing N N 299 
SER CB  HB3  sing N N 300 
SER OG  HG   sing N N 301 
SER OXT HXT  sing N N 302 
THR N   CA   sing N N 303 
THR N   H    sing N N 304 
THR N   H2   sing N N 305 
THR CA  C    sing N N 306 
THR CA  CB   sing N N 307 
THR CA  HA   sing N N 308 
THR C   O    doub N N 309 
THR C   OXT  sing N N 310 
THR CB  OG1  sing N N 311 
THR CB  CG2  sing N N 312 
THR CB  HB   sing N N 313 
THR OG1 HG1  sing N N 314 
THR CG2 HG21 sing N N 315 
THR CG2 HG22 sing N N 316 
THR CG2 HG23 sing N N 317 
THR OXT HXT  sing N N 318 
TRP N   CA   sing N N 319 
TRP N   H    sing N N 320 
TRP N   H2   sing N N 321 
TRP CA  C    sing N N 322 
TRP CA  CB   sing N N 323 
TRP CA  HA   sing N N 324 
TRP C   O    doub N N 325 
TRP C   OXT  sing N N 326 
TRP CB  CG   sing N N 327 
TRP CB  HB2  sing N N 328 
TRP CB  HB3  sing N N 329 
TRP CG  CD1  doub Y N 330 
TRP CG  CD2  sing Y N 331 
TRP CD1 NE1  sing Y N 332 
TRP CD1 HD1  sing N N 333 
TRP CD2 CE2  doub Y N 334 
TRP CD2 CE3  sing Y N 335 
TRP NE1 CE2  sing Y N 336 
TRP NE1 HE1  sing N N 337 
TRP CE2 CZ2  sing Y N 338 
TRP CE3 CZ3  doub Y N 339 
TRP CE3 HE3  sing N N 340 
TRP CZ2 CH2  doub Y N 341 
TRP CZ2 HZ2  sing N N 342 
TRP CZ3 CH2  sing Y N 343 
TRP CZ3 HZ3  sing N N 344 
TRP CH2 HH2  sing N N 345 
TRP OXT HXT  sing N N 346 
TYR N   CA   sing N N 347 
TYR N   H    sing N N 348 
TYR N   H2   sing N N 349 
TYR CA  C    sing N N 350 
TYR CA  CB   sing N N 351 
TYR CA  HA   sing N N 352 
TYR C   O    doub N N 353 
TYR C   OXT  sing N N 354 
TYR CB  CG   sing N N 355 
TYR CB  HB2  sing N N 356 
TYR CB  HB3  sing N N 357 
TYR CG  CD1  doub Y N 358 
TYR CG  CD2  sing Y N 359 
TYR CD1 CE1  sing Y N 360 
TYR CD1 HD1  sing N N 361 
TYR CD2 CE2  doub Y N 362 
TYR CD2 HD2  sing N N 363 
TYR CE1 CZ   doub Y N 364 
TYR CE1 HE1  sing N N 365 
TYR CE2 CZ   sing Y N 366 
TYR CE2 HE2  sing N N 367 
TYR CZ  OH   sing N N 368 
TYR OH  HH   sing N N 369 
TYR OXT HXT  sing N N 370 
VAL N   CA   sing N N 371 
VAL N   H    sing N N 372 
VAL N   H2   sing N N 373 
VAL CA  C    sing N N 374 
VAL CA  CB   sing N N 375 
VAL CA  HA   sing N N 376 
VAL C   O    doub N N 377 
VAL C   OXT  sing N N 378 
VAL CB  CG1  sing N N 379 
VAL CB  CG2  sing N N 380 
VAL CB  HB   sing N N 381 
VAL CG1 HG11 sing N N 382 
VAL CG1 HG12 sing N N 383 
VAL CG1 HG13 sing N N 384 
VAL CG2 HG21 sing N N 385 
VAL CG2 HG22 sing N N 386 
VAL CG2 HG23 sing N N 387 
VAL OXT HXT  sing N N 388 
# 
_pdbx_audit_support.funding_organization   'Agence Nationale de la Recherche (ANR)' 
_pdbx_audit_support.country                France 
_pdbx_audit_support.grant_number           ANR-20-CE44-0012 
_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   4ZCS 
_pdbx_initial_refinement_model.details          ? 
# 
_space_group.name_H-M_alt     'I 2 2 2' 
_space_group.name_Hall        'I 2 2' 
_space_group.IT_number        23 
_space_group.crystal_system   orthorhombic 
_space_group.id               1 
# 
_atom_sites.entry_id                    9HSV 
_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]   0.019940 
_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]   0.014062 
_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]   0.008409 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
_atom_type.scat_dispersion_real 
_atom_type.scat_dispersion_imag 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
_atom_type.scat_source 
_atom_type.scat_dispersion_source 
C ? ? 3.54356 2.42580 ? ? 25.62398 1.50364  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
H ? ? 0.51345 0.48472 ? ? 24.73122 6.32584  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
N ? ? 4.01032 2.96436 ? ? 19.97189 1.75589  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
O ? ? 4.49882 3.47563 ? ? 15.80542 1.70748  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
S ? ? 9.55732 6.39887 ? ? 1.23737  29.19336 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N N    . LYS A 1 39  ? -9.25566  -21.95057 -44.73272 1.000 53.49920 ? 616  LYS A N    1 
ATOM   2    C CA   . LYS A 1 39  ? -9.89887  -23.06477 -44.04945 1.000 48.49114 ? 616  LYS A CA   1 
ATOM   3    C C    . LYS A 1 39  ? -9.25742  -23.35069 -42.68309 1.000 42.86207 ? 616  LYS A C    1 
ATOM   4    O O    . LYS A 1 39  ? -9.93369  -23.84038 -41.78281 1.000 42.92717 ? 616  LYS A O    1 
ATOM   5    C CB   . LYS A 1 39  ? -9.86630  -24.32670 -44.92333 1.000 50.64296 ? 616  LYS A CB   1 
ATOM   6    C CG   . LYS A 1 39  ? -10.95221 -25.34384 -44.58024 1.000 53.55067 ? 616  LYS A CG   1 
ATOM   7    C CD   . LYS A 1 39  ? -10.85877 -26.62265 -45.41701 1.000 56.11339 ? 616  LYS A CD   1 
ATOM   8    C CE   . LYS A 1 39  ? -10.83350 -26.33978 -46.91296 1.000 61.07610 ? 616  LYS A CE   1 
ATOM   9    N NZ   . LYS A 1 39  ? -9.46268  -26.01904 -47.41166 1.000 62.92884 ? 616  LYS A NZ   1 
ATOM   10   N N    . ASN A 1 40  ? -7.96626  -23.05745 -42.51666 1.000 35.75822 ? 617  ASN A N    1 
ATOM   11   C CA   . ASN A 1 40  ? -7.33039  -23.26168 -41.21802 1.000 33.61316 ? 617  ASN A CA   1 
ATOM   12   C C    . ASN A 1 40  ? -7.67227  -22.11270 -40.28007 1.000 31.80302 ? 617  ASN A C    1 
ATOM   13   O O    . ASN A 1 40  ? -7.53884  -20.93696 -40.64369 1.000 35.58482 ? 617  ASN A O    1 
ATOM   14   C CB   . ASN A 1 40  ? -5.81304  -23.38330 -41.33089 1.000 31.22831 ? 617  ASN A CB   1 
ATOM   15   C CG   . ASN A 1 40  ? -5.17899  -23.82522 -40.01548 1.000 29.82237 ? 617  ASN A CG   1 
ATOM   16   O OD1  . ASN A 1 40  ? -4.55376  -23.03411 -39.30963 1.000 32.56351 ? 617  ASN A OD1  1 
ATOM   17   N ND2  . ASN A 1 40  ? -5.37363  -25.09106 -39.66725 1.000 29.76553 ? 617  ASN A ND2  1 
ATOM   18   N N    . VAL A 1 41  ? -8.09518  -22.46046 -39.06975 1.000 26.35269 ? 618  VAL A N    1 
ATOM   19   C CA   . VAL A 1 41  ? -8.58632  -21.51040 -38.08097 1.000 25.15227 ? 618  VAL A CA   1 
ATOM   20   C C    . VAL A 1 41  ? -7.61476  -21.52255 -36.90668 1.000 21.75258 ? 618  VAL A C    1 
ATOM   21   O O    . VAL A 1 41  ? -7.25367  -22.59766 -36.41279 1.000 22.68833 ? 618  VAL A O    1 
ATOM   22   C CB   . VAL A 1 41  ? -10.01295 -21.88353 -37.63612 1.000 25.33800 ? 618  VAL A CB   1 
ATOM   23   C CG1  . VAL A 1 41  ? -10.58663 -20.82526 -36.71925 1.000 23.45820 ? 618  VAL A CG1  1 
ATOM   24   C CG2  . VAL A 1 41  ? -10.92378 -22.09614 -38.85735 1.000 24.27918 ? 618  VAL A CG2  1 
ATOM   25   N N    . VAL A 1 42  ? -7.16556  -20.34017 -36.48151 1.000 21.49292 ? 619  VAL A N    1 
ATOM   26   C CA   . VAL A 1 42  ? -6.20715  -20.23473 -35.38141 1.000 18.50959 ? 619  VAL A CA   1 
ATOM   27   C C    . VAL A 1 42  ? -6.97747  -20.04643 -34.07845 1.000 18.77512 ? 619  VAL A C    1 
ATOM   28   O O    . VAL A 1 42  ? -7.77151  -19.10673 -33.94434 1.000 18.10443 ? 619  VAL A O    1 
ATOM   29   C CB   . VAL A 1 42  ? -5.20975  -19.08643 -35.60753 1.000 20.29926 ? 619  VAL A CB   1 
ATOM   30   C CG1  . VAL A 1 42  ? -4.28443  -18.95065 -34.40437 1.000 20.25909 ? 619  VAL A CG1  1 
ATOM   31   C CG2  . VAL A 1 42  ? -4.40732  -19.32084 -36.88478 1.000 25.16427 ? 619  VAL A CG2  1 
ATOM   32   N N    . ILE A 1 43  ? -6.75044  -20.95601 -33.13344 1.000 17.30708 ? 620  ILE A N    1 
ATOM   33   C CA   . ILE A 1 43  ? -7.42228  -21.00219 -31.83971 1.000 18.37209 ? 620  ILE A CA   1 
ATOM   34   C C    . ILE A 1 43  ? -6.37785  -20.71032 -30.78058 1.000 19.61297 ? 620  ILE A C    1 
ATOM   35   O O    . ILE A 1 43  ? -5.27864  -21.26963 -30.82810 1.000 18.00664 ? 620  ILE A O    1 
ATOM   36   C CB   . ILE A 1 43  ? -8.04988  -22.38492 -31.55693 1.000 17.45577 ? 620  ILE A CB   1 
ATOM   37   C CG1  . ILE A 1 43  ? -8.96641  -22.83238 -32.70269 1.000 18.47560 ? 620  ILE A CG1  1 
ATOM   38   C CG2  . ILE A 1 43  ? -8.78821  -22.35211 -30.21378 1.000 18.56979 ? 620  ILE A CG2  1 
ATOM   39   C CD1  . ILE A 1 43  ? -10.12772 -21.89923 -32.93199 1.000 18.74287 ? 620  ILE A CD1  1 
ATOM   40   N N    . TYR A 1 44  ? -6.71247  -19.84155 -29.82623 1.000 17.89673 ? 621  TYR A N    1 
ATOM   41   C CA   . TYR A 1 44  ? -5.82026  -19.51329 -28.72042 1.000 18.59244 ? 621  TYR A CA   1 
ATOM   42   C C    . TYR A 1 44  ? -6.47099  -19.92749 -27.40956 1.000 19.65837 ? 621  TYR A C    1 
ATOM   43   O O    . TYR A 1 44  ? -7.57482  -19.47871 -27.10010 1.000 19.62515 ? 621  TYR A O    1 
ATOM   44   C CB   . TYR A 1 44  ? -5.51608  -18.01024 -28.68074 1.000 19.98586 ? 621  TYR A CB   1 
ATOM   45   C CG   . TYR A 1 44  ? -4.60828  -17.58959 -27.54781 1.000 19.07756 ? 621  TYR A CG   1 
ATOM   46   C CD1  . TYR A 1 44  ? -3.26845  -17.96259 -27.54314 1.000 19.80246 ? 621  TYR A CD1  1 
ATOM   47   C CD2  . TYR A 1 44  ? -5.06994  -16.80684 -26.50280 1.000 18.72005 ? 621  TYR A CD2  1 
ATOM   48   C CE1  . TYR A 1 44  ? -2.42386  -17.58496 -26.52385 1.000 20.03887 ? 621  TYR A CE1  1 
ATOM   49   C CE2  . TYR A 1 44  ? -4.22120  -16.40786 -25.47450 1.000 22.06963 ? 621  TYR A CE2  1 
ATOM   50   C CZ   . TYR A 1 44  ? -2.89422  -16.79609 -25.49571 1.000 20.94080 ? 621  TYR A CZ   1 
ATOM   51   O OH   . TYR A 1 44  ? -2.04892  -16.40527 -24.47336 1.000 22.12983 ? 621  TYR A OH   1 
ATOM   52   N N    . ALA A 1 45  ? -5.76657  -20.74168 -26.62784 1.000 17.19813 ? 622  ALA A N    1 
ATOM   53   C CA   . ALA A 1 45  ? -6.23624  -21.20896 -25.32191 1.000 18.79548 ? 622  ALA A CA   1 
ATOM   54   C C    . ALA A 1 45  ? -5.16289  -20.87696 -24.29112 1.000 20.73710 ? 622  ALA A C    1 
ATOM   55   O O    . ALA A 1 45  ? -4.09027  -21.48258 -24.30966 1.000 23.45540 ? 622  ALA A O    1 
ATOM   56   C CB   . ALA A 1 45  ? -6.49336  -22.72060 -25.35189 1.000 17.19228 ? 622  ALA A CB   1 
ATOM   57   N N    . ASP A 1 46  ? -5.41828  -19.92200 -23.40502 1.000 23.01082 ? 623  ASP A N    1 
ATOM   58   C CA   . ASP A 1 46  ? -4.39909  -19.60913 -22.41136 1.000 23.70183 ? 623  ASP A CA   1 
ATOM   59   C C    . ASP A 1 46  ? -4.78025  -20.20808 -21.06178 1.000 26.63465 ? 623  ASP A C    1 
ATOM   60   O O    . ASP A 1 46  ? -5.91600  -20.64860 -20.84215 1.000 24.26141 ? 623  ASP A O    1 
ATOM   61   C CB   . ASP A 1 46  ? -4.15087  -18.09926 -22.30713 1.000 24.08805 ? 623  ASP A CB   1 
ATOM   62   C CG   . ASP A 1 46  ? -5.36382  -17.31282 -21.82370 1.000 30.51532 ? 623  ASP A CG   1 
ATOM   63   O OD1  . ASP A 1 46  ? -6.38309  -17.91900 -21.43564 1.000 32.19444 ? 623  ASP A OD1  1 
ATOM   64   O OD2  . ASP A 1 46  ? -5.28239  -16.06370 -21.82860 1.000 27.06168 ? 623  ASP A OD2  1 
ATOM   65   N N    . GLY A 1 47  ? -3.80617  -20.24545 -20.16203 1.000 22.56942 ? 624  GLY A N    1 
ATOM   66   C CA   . GLY A 1 47  ? -4.03382  -20.85843 -18.87072 1.000 25.09631 ? 624  GLY A CA   1 
ATOM   67   C C    . GLY A 1 47  ? -2.74618  -20.97046 -18.08708 1.000 24.48703 ? 624  GLY A C    1 
ATOM   68   O O    . GLY A 1 47  ? -1.65356  -20.67643 -18.58613 1.000 20.55272 ? 624  GLY A O    1 
ATOM   69   N N    . VAL A 1 48  ? -2.90055  -21.40675 -16.83416 1.000 20.59474 ? 625  VAL A N    1 
ATOM   70   C CA   . VAL A 1 48  ? -1.73594  -21.69474 -16.00158 1.000 21.44783 ? 625  VAL A CA   1 
ATOM   71   C C    . VAL A 1 48  ? -1.16675  -23.06688 -16.33880 1.000 20.96653 ? 625  VAL A C    1 
ATOM   72   O O    . VAL A 1 48  ? 0.05742   -23.24847 -16.40269 1.000 20.59341 ? 625  VAL A O    1 
ATOM   73   C CB   . VAL A 1 48  ? -2.10161  -21.58718 -14.50824 1.000 25.30153 ? 625  VAL A CB   1 
ATOM   74   C CG1  . VAL A 1 48  ? -0.84716  -21.74011 -13.64138 1.000 23.02942 ? 625  VAL A CG1  1 
ATOM   75   C CG2  . VAL A 1 48  ? -2.83249  -20.26482 -14.21222 1.000 25.73333 ? 625  VAL A CG2  1 
ATOM   76   N N    . TYR A 1 49  ? -2.04194  -24.05416 -16.56532 1.000 21.92965 ? 626  TYR A N    1 
ATOM   77   C CA   . TYR A 1 49  ? -1.61920  -25.42796 -16.86032 1.000 21.18021 ? 626  TYR A CA   1 
ATOM   78   C C    . TYR A 1 49  ? -0.67733  -25.97465 -15.78297 1.000 23.80764 ? 626  TYR A C    1 
ATOM   79   O O    . TYR A 1 49  ? 0.27850   -26.69776 -16.06854 1.000 24.20780 ? 626  TYR A O    1 
ATOM   80   C CB   . TYR A 1 49  ? -0.98498  -25.51297 -18.25187 1.000 18.59957 ? 626  TYR A CB   1 
ATOM   81   C CG   . TYR A 1 49  ? -1.93676  -25.05122 -19.33577 1.000 20.37018 ? 626  TYR A CG   1 
ATOM   82   C CD1  . TYR A 1 49  ? -3.01750  -25.83974 -19.71966 1.000 19.42637 ? 626  TYR A CD1  1 
ATOM   83   C CD2  . TYR A 1 49  ? -1.77251  -23.81542 -19.95019 1.000 21.63726 ? 626  TYR A CD2  1 
ATOM   84   C CE1  . TYR A 1 49  ? -3.90600  -25.40867 -20.71131 1.000 21.61844 ? 626  TYR A CE1  1 
ATOM   85   C CE2  . TYR A 1 49  ? -2.65215  -23.37528 -20.93887 1.000 19.18620 ? 626  TYR A CE2  1 
ATOM   86   C CZ   . TYR A 1 49  ? -3.71386  -24.17224 -21.30674 1.000 20.61783 ? 626  TYR A CZ   1 
ATOM   87   O OH   . TYR A 1 49  ? -4.57753  -23.73351 -22.28792 1.000 21.34509 ? 626  TYR A OH   1 
ATOM   88   N N    . ASP A 1 50  ? -0.96142  -25.64826 -14.52389 1.000 23.08868 ? 627  ASP A N    1 
ATOM   89   C CA   . ASP A 1 50  ? -0.19095  -26.20113 -13.41807 1.000 24.73533 ? 627  ASP A CA   1 
ATOM   90   C C    . ASP A 1 50  ? -0.56620  -27.66906 -13.19989 1.000 30.50772 ? 627  ASP A C    1 
ATOM   91   O O    . ASP A 1 50  ? -1.75228  -28.01895 -13.18839 1.000 28.41220 ? 627  ASP A O    1 
ATOM   92   C CB   . ASP A 1 50  ? -0.45618  -25.38321 -12.15201 1.000 26.33485 ? 627  ASP A CB   1 
ATOM   93   C CG   . ASP A 1 50  ? 0.61800   -25.54788 -11.10154 1.000 31.12049 ? 627  ASP A CG   1 
ATOM   94   O OD1  . ASP A 1 50  ? 1.72690   -26.03652 -11.42429 1.000 29.57416 ? 627  ASP A OD1  1 
ATOM   95   O OD2  . ASP A 1 50  ? 0.35072   -25.17808 -9.93494  1.000 34.04999 ? 627  ASP A OD2  1 
ATOM   96   N N    . MET A 1 51  ? 0.43968   -28.52924 -13.03578 1.000 26.13906 ? 628  MET A N    1 
ATOM   97   C CA   . MET A 1 51  ? 0.23681   -29.96294 -12.79596 1.000 27.65485 ? 628  MET A CA   1 
ATOM   98   C C    . MET A 1 51  ? -0.82329  -30.52825 -13.74100 1.000 28.80188 ? 628  MET A C    1 
ATOM   99   O O    . MET A 1 51  ? -1.87200  -31.03212 -13.33446 1.000 29.31826 ? 628  MET A O    1 
ATOM   100  C CB   . MET A 1 51  ? -0.12637  -30.23068 -11.33791 1.000 30.41879 ? 628  MET A CB   1 
ATOM   101  C CG   . MET A 1 51  ? 0.97159   -29.84418 -10.36017 1.000 32.10387 ? 628  MET A CG   1 
ATOM   102  S SD   . MET A 1 51  ? 0.49095   -30.05732 -8.63613  1.000 46.92594 ? 628  MET A SD   1 
ATOM   103  C CE   . MET A 1 51  ? -0.95240  -28.99393 -8.54070  1.000 44.11048 ? 628  MET A CE   1 
ATOM   104  N N    . LEU A 1 52  ? -0.49583  -30.46205 -15.02734 1.000 25.31695 ? 629  LEU A N    1 
ATOM   105  C CA   . LEU A 1 52  ? -1.44015  -30.76867 -16.09099 1.000 23.71229 ? 629  LEU A CA   1 
ATOM   106  C C    . LEU A 1 52  ? -2.14145  -32.09869 -15.84690 1.000 25.62132 ? 629  LEU A C    1 
ATOM   107  O O    . LEU A 1 52  ? -1.49754  -33.10809 -15.56192 1.000 24.62263 ? 629  LEU A O    1 
ATOM   108  C CB   . LEU A 1 52  ? -0.69144  -30.80581 -17.42264 1.000 23.27027 ? 629  LEU A CB   1 
ATOM   109  C CG   . LEU A 1 52  ? -1.53245  -30.71544 -18.68729 1.000 23.26002 ? 629  LEU A CG   1 
ATOM   110  C CD1  . LEU A 1 52  ? -1.96046  -29.27432 -18.91839 1.000 22.37317 ? 629  LEU A CD1  1 
ATOM   111  C CD2  . LEU A 1 52  ? -0.72451  -31.24115 -19.86403 1.000 27.76074 ? 629  LEU A CD2  1 
ATOM   112  N N    . HIS A 1 53  ? -3.46651  -32.10125 -15.96916 1.000 25.39436 ? 630  HIS A N    1 
ATOM   113  C CA   . HIS A 1 53  ? -4.23513  -33.31264 -15.71716 1.000 28.98796 ? 630  HIS A CA   1 
ATOM   114  C C    . HIS A 1 53  ? -5.24686  -33.52123 -16.83931 1.000 23.54665 ? 630  HIS A C    1 
ATOM   115  O O    . HIS A 1 53  ? -5.31132  -32.74778 -17.79825 1.000 22.84019 ? 630  HIS A O    1 
ATOM   116  C CB   . HIS A 1 53  ? -4.91347  -33.26541 -14.34069 1.000 34.04948 ? 630  HIS A CB   1 
ATOM   117  C CG   . HIS A 1 53  ? -5.77465  -32.06063 -14.12395 1.000 35.49951 ? 630  HIS A CG   1 
ATOM   118  N ND1  . HIS A 1 53  ? -6.91256  -31.81143 -14.86287 1.000 35.29342 ? 630  HIS A ND1  1 
ATOM   119  C CD2  . HIS A 1 53  ? -5.66556  -31.03786 -13.24317 1.000 36.79740 ? 630  HIS A CD2  1 
ATOM   120  C CE1  . HIS A 1 53  ? -7.46135  -30.68176 -14.45106 1.000 38.44650 ? 630  HIS A CE1  1 
ATOM   121  N NE2  . HIS A 1 53  ? -6.72862  -30.19721 -13.46373 1.000 38.14717 ? 630  HIS A NE2  1 
ATOM   122  N N    . LEU A 1 54  ? -6.03187  -34.59874 -16.71903 1.000 28.18916 ? 631  LEU A N    1 
ATOM   123  C CA   . LEU A 1 54  ? -6.95772  -34.96481 -17.78879 1.000 26.42899 ? 631  LEU A CA   1 
ATOM   124  C C    . LEU A 1 54  ? -7.96761  -33.85907 -18.06881 1.000 26.40491 ? 631  LEU A C    1 
ATOM   125  O O    . LEU A 1 54  ? -8.41186  -33.70536 -19.21092 1.000 25.54325 ? 631  LEU A O    1 
ATOM   126  C CB   . LEU A 1 54  ? -7.67793  -36.26903 -17.44638 1.000 28.91102 ? 631  LEU A CB   1 
ATOM   127  C CG   . LEU A 1 54  ? -8.70055  -36.76841 -18.47556 1.000 29.12887 ? 631  LEU A CG   1 
ATOM   128  C CD1  . LEU A 1 54  ? -8.03435  -37.21964 -19.76610 1.000 29.87526 ? 631  LEU A CD1  1 
ATOM   129  C CD2  . LEU A 1 54  ? -9.55910  -37.88603 -17.88874 1.000 31.66161 ? 631  LEU A CD2  1 
ATOM   130  N N    . GLY A 1 55  ? -8.33961  -33.07710 -17.05376 1.000 28.20693 ? 632  GLY A N    1 
ATOM   131  C CA   . GLY A 1 55  ? -9.23127  -31.95296 -17.30266 1.000 29.36180 ? 632  GLY A CA   1 
ATOM   132  C C    . GLY A 1 55  ? -8.65318  -30.96534 -18.29955 1.000 29.85907 ? 632  GLY A C    1 
ATOM   133  O O    . GLY A 1 55  ? -9.33172  -30.54656 -19.24514 1.000 25.80695 ? 632  GLY A O    1 
ATOM   134  N N    . HIS A 1 56  ? -7.39307  -30.56224 -18.08609 1.000 25.33810 ? 633  HIS A N    1 
ATOM   135  C CA   . HIS A 1 56  ? -6.70645  -29.68823 -19.03378 1.000 25.50969 ? 633  HIS A CA   1 
ATOM   136  C C    . HIS A 1 56  ? -6.66058  -30.32170 -20.41536 1.000 21.20512 ? 633  HIS A C    1 
ATOM   137  O O    . HIS A 1 56  ? -6.85467  -29.64752 -21.43653 1.000 20.89667 ? 633  HIS A O    1 
ATOM   138  C CB   . HIS A 1 56  ? -5.26455  -29.42032 -18.58556 1.000 23.08370 ? 633  HIS A CB   1 
ATOM   139  C CG   . HIS A 1 56  ? -5.11982  -28.68809 -17.28911 1.000 26.41738 ? 633  HIS A CG   1 
ATOM   140  N ND1  . HIS A 1 56  ? -4.59736  -29.28250 -16.15986 1.000 26.19553 ? 633  HIS A ND1  1 
ATOM   141  C CD2  . HIS A 1 56  ? -5.33339  -27.39026 -16.96594 1.000 28.31356 ? 633  HIS A CD2  1 
ATOM   142  C CE1  . HIS A 1 56  ? -4.53603  -28.39358 -15.18445 1.000 29.77274 ? 633  HIS A CE1  1 
ATOM   143  N NE2  . HIS A 1 56  ? -4.97697  -27.23687 -15.64735 1.000 31.42237 ? 633  HIS A NE2  1 
ATOM   144  N N    . MET A 1 57  ? -6.32072  -31.61357 -20.46225 1.000 21.20316 ? 634  MET A N    1 
ATOM   145  C CA   . MET A 1 57  ? -6.13002  -32.29522 -21.73578 1.000 20.51392 ? 634  MET A CA   1 
ATOM   146  C C    . MET A 1 57  ? -7.41268  -32.32101 -22.54878 1.000 22.33093 ? 634  MET A C    1 
ATOM   147  O O    . MET A 1 57  ? -7.38309  -32.13100 -23.77002 1.000 19.13147 ? 634  MET A O    1 
ATOM   148  C CB   . MET A 1 57  ? -5.63163  -33.71653 -21.48574 1.000 23.20648 ? 634  MET A CB   1 
ATOM   149  C CG   . MET A 1 57  ? -4.29971  -33.73626 -20.75471 1.000 22.54208 ? 634  MET A CG   1 
ATOM   150  S SD   . MET A 1 57  ? -3.76656  -35.39461 -20.33903 1.000 23.58804 ? 634  MET A SD   1 
ATOM   151  C CE   . MET A 1 57  ? -2.30051  -35.01935 -19.34209 1.000 23.70200 ? 634  MET A CE   1 
ATOM   152  N N    . LYS A 1 58  ? -8.54376  -32.60150 -21.89230 1.000 21.61783 ? 635  LYS A N    1 
ATOM   153  C CA   . LYS A 1 58  ? -9.82866  -32.62064 -22.58428 1.000 21.02824 ? 635  LYS A CA   1 
ATOM   154  C C    . LYS A 1 58  ? -10.23560 -31.22968 -23.05364 1.000 22.16216 ? 635  LYS A C    1 
ATOM   155  O O    . LYS A 1 58  ? -10.86826 -31.08578 -24.10932 1.000 24.52389 ? 635  LYS A O    1 
ATOM   156  C CB   . LYS A 1 58  ? -10.90253 -33.21208 -21.67451 1.000 23.39340 ? 635  LYS A CB   1 
ATOM   157  C CG   . LYS A 1 58  ? -10.69442 -34.69499 -21.38595 1.000 24.90826 ? 635  LYS A CG   1 
ATOM   158  C CD   . LYS A 1 58  ? -11.68147 -35.21180 -20.35292 1.000 32.30584 ? 635  LYS A CD   1 
ATOM   159  C CE   . LYS A 1 58  ? -13.10482 -34.95051 -20.77142 1.000 34.34196 ? 635  LYS A CE   1 
ATOM   160  N NZ   . LYS A 1 58  ? -14.04980 -35.35432 -19.69269 1.000 41.66162 ? 635  LYS A NZ   1 
ATOM   161  N N    . GLN A 1 59  ? -9.89425  -30.19349 -22.28683 1.000 22.06895 ? 636  GLN A N    1 
ATOM   162  C CA   . GLN A 1 59  ? -10.18026 -28.83104 -22.73510 1.000 21.96848 ? 636  GLN A CA   1 
ATOM   163  C C    . GLN A 1 59  ? -9.34994  -28.47853 -23.95093 1.000 22.57308 ? 636  GLN A C    1 
ATOM   164  O O    . GLN A 1 59  ? -9.82461  -27.80738 -24.87475 1.000 19.36421 ? 636  GLN A O    1 
ATOM   165  C CB   . GLN A 1 59  ? -9.88847  -27.82501 -21.62275 1.000 27.14041 ? 636  GLN A CB   1 
ATOM   166  C CG   . GLN A 1 59  ? -11.07283 -27.45957 -20.79259 1.000 35.15484 ? 636  GLN A CG   1 
ATOM   167  C CD   . GLN A 1 59  ? -10.78198 -26.29544 -19.88102 1.000 39.57664 ? 636  GLN A CD   1 
ATOM   168  O OE1  . GLN A 1 59  ? -10.03338 -26.42475 -18.91018 1.000 41.52619 ? 636  GLN A OE1  1 
ATOM   169  N NE2  . GLN A 1 59  ? -11.36065 -25.13870 -20.19775 1.000 36.94544 ? 636  GLN A NE2  1 
ATOM   170  N N    . LEU A 1 60  ? -8.08892  -28.89358 -23.94768 1.000 19.48279 ? 637  LEU A N    1 
ATOM   171  C CA   . LEU A 1 60  ? -7.24846  -28.64619 -25.10397 1.000 16.86896 ? 637  LEU A CA   1 
ATOM   172  C C    . LEU A 1 60  ? -7.75530  -29.41465 -26.31646 1.000 18.27559 ? 637  LEU A C    1 
ATOM   173  O O    . LEU A 1 60  ? -7.73499  -28.88757 -27.43551 1.000 18.42373 ? 637  LEU A O    1 
ATOM   174  C CB   . LEU A 1 60  ? -5.80196  -29.01569 -24.77471 1.000 17.03694 ? 637  LEU A CB   1 
ATOM   175  C CG   . LEU A 1 60  ? -5.12933  -28.13420 -23.72231 1.000 16.25974 ? 637  LEU A CG   1 
ATOM   176  C CD1  . LEU A 1 60  ? -3.80765  -28.78188 -23.31847 1.000 19.46800 ? 637  LEU A CD1  1 
ATOM   177  C CD2  . LEU A 1 60  ? -4.87023  -26.75214 -24.30749 1.000 18.95879 ? 637  LEU A CD2  1 
ATOM   178  N N    . GLU A 1 61  ? -8.20978  -30.66016 -26.11508 1.000 18.10969 ? 638  GLU A N    1 
ATOM   179  C CA   . GLU A 1 61  ? -8.80022  -31.42054 -27.21456 1.000 18.75250 ? 638  GLU A CA   1 
ATOM   180  C C    . GLU A 1 61  ? -10.00935 -30.68992 -27.77768 1.000 20.42605 ? 638  GLU A C    1 
ATOM   181  O O    . GLU A 1 61  ? -10.17852 -30.58855 -29.00119 1.000 18.82049 ? 638  GLU A O    1 
ATOM   182  C CB   . GLU A 1 61  ? -9.20313  -32.82233 -26.74027 1.000 20.63838 ? 638  GLU A CB   1 
ATOM   183  C CG   . GLU A 1 61  ? -9.86836  -33.65082 -27.83651 1.000 21.57805 ? 638  GLU A CG   1 
ATOM   184  C CD   . GLU A 1 61  ? -10.37906 -34.98698 -27.34482 1.000 26.30370 ? 638  GLU A CD   1 
ATOM   185  O OE1  . GLU A 1 61  ? -10.52670 -35.15777 -26.11379 1.000 27.78502 ? 638  GLU A OE1  1 
ATOM   186  O OE2  . GLU A 1 61  ? -10.65211 -35.85913 -28.19652 1.000 27.18678 ? 638  GLU A OE2  1 
ATOM   187  N N    . GLN A 1 62  ? -10.85631 -30.16874 -26.89528 1.000 18.82437 ? 639  GLN A N    1 
ATOM   188  C CA   . GLN A 1 62  ? -12.04378 -29.45691 -27.34628 1.000 19.72748 ? 639  GLN A CA   1 
ATOM   189  C C    . GLN A 1 62  ? -11.66207 -28.23344 -28.16784 1.000 20.25782 ? 639  GLN A C    1 
ATOM   190  O O    . GLN A 1 62  ? -12.24503 -27.97033 -29.22590 1.000 21.13806 ? 639  GLN A O    1 
ATOM   191  C CB   . GLN A 1 62  ? -12.89709 -29.05192 -26.14573 1.000 21.72873 ? 639  GLN A CB   1 
ATOM   192  C CG   . GLN A 1 62  ? -14.25081 -28.51836 -26.55118 1.000 25.88553 ? 639  GLN A CG   1 
ATOM   193  C CD   . GLN A 1 62  ? -15.12273 -28.16899 -25.36502 1.000 30.45581 ? 639  GLN A CD   1 
ATOM   194  O OE1  . GLN A 1 62  ? -14.73419 -28.37369 -24.21228 1.000 31.35541 ? 639  GLN A OE1  1 
ATOM   195  N NE2  . GLN A 1 62  ? -16.31409 -27.63843 -25.64236 1.000 32.23950 ? 639  GLN A NE2  1 
ATOM   196  N N    . ALA A 1 63  ? -10.69781 -27.45875 -27.67795 1.000 18.93744 ? 640  ALA A N    1 
ATOM   197  C CA   . ALA A 1 63  ? -10.24339 -26.27916 -28.41002 1.000 19.11482 ? 640  ALA A CA   1 
ATOM   198  C C    . ALA A 1 63  ? -9.72887  -26.66442 -29.79015 1.000 18.59525 ? 640  ALA A C    1 
ATOM   199  O O    . ALA A 1 63  ? -10.05956 -26.02345 -30.79573 1.000 18.65626 ? 640  ALA A O    1 
ATOM   200  C CB   . ALA A 1 63  ? -9.14515  -25.56834 -27.61592 1.000 18.32781 ? 640  ALA A CB   1 
ATOM   201  N N    . LYS A 1 64  ? -8.91159  -27.72617 -29.85000 1.000 16.27177 ? 641  LYS A N    1 
ATOM   202  C CA   . LYS A 1 64  ? -8.31472  -28.15624 -31.10836 1.000 15.66506 ? 641  LYS A CA   1 
ATOM   203  C C    . LYS A 1 64  ? -9.37118  -28.55349 -32.11995 1.000 19.64658 ? 641  LYS A C    1 
ATOM   204  O O    . LYS A 1 64  ? -9.19223  -28.33835 -33.32499 1.000 19.49139 ? 641  LYS A O    1 
ATOM   205  C CB   . LYS A 1 64  ? -7.36826  -29.33722 -30.84437 1.000 15.82639 ? 641  LYS A CB   1 
ATOM   206  C CG   . LYS A 1 64  ? -6.85178  -29.99702 -32.08629 1.000 17.64706 ? 641  LYS A CG   1 
ATOM   207  C CD   . LYS A 1 64  ? -5.89661  -29.10338 -32.86384 1.000 20.34968 ? 641  LYS A CD   1 
ATOM   208  C CE   . LYS A 1 64  ? -5.49666  -29.76846 -34.18165 1.000 21.65680 ? 641  LYS A CE   1 
ATOM   209  N NZ   . LYS A 1 64  ? -4.77679  -28.85879 -35.12219 1.000 21.30005 ? 641  LYS A NZ   1 
ATOM   210  N N    . LYS A 1 65  ? -10.47959 -29.12516 -31.64890 1.000 18.65482 ? 642  LYS A N    1 
ATOM   211  C CA   . LYS A 1 65  ? -11.51190 -29.67856 -32.51313 1.000 17.94989 ? 642  LYS A CA   1 
ATOM   212  C C    . LYS A 1 65  ? -12.67764 -28.71959 -32.75909 1.000 20.40647 ? 642  LYS A C    1 
ATOM   213  O O    . LYS A 1 65  ? -13.71522 -29.14251 -33.27818 1.000 22.42227 ? 642  LYS A O    1 
ATOM   214  C CB   . LYS A 1 65  ? -12.01611 -30.99520 -31.92293 1.000 22.32102 ? 642  LYS A CB   1 
ATOM   215  C CG   . LYS A 1 65  ? -10.97609 -32.10017 -32.02765 1.000 20.49725 ? 642  LYS A CG   1 
ATOM   216  C CD   . LYS A 1 65  ? -11.49395 -33.40740 -31.47172 1.000 25.92852 ? 642  LYS A CD   1 
ATOM   217  C CE   . LYS A 1 65  ? -10.40379 -34.45596 -31.51831 1.000 27.36546 ? 642  LYS A CE   1 
ATOM   218  N NZ   . LYS A 1 65  ? -10.82646 -35.73524 -30.86765 1.000 25.66934 ? 642  LYS A NZ   1 
ATOM   219  N N    . LEU A 1 66  ? -12.51413 -27.42975 -32.45321 1.000 21.12931 ? 643  LEU A N    1 
ATOM   220  C CA   . LEU A 1 66  ? -13.61819 -26.48627 -32.65357 1.000 19.03171 ? 643  LEU A CA   1 
ATOM   221  C C    . LEU A 1 66  ? -13.99219 -26.34145 -34.12788 1.000 22.75070 ? 643  LEU A C    1 
ATOM   222  O O    . LEU A 1 66  ? -15.15292 -26.05169 -34.45289 1.000 22.56884 ? 643  LEU A O    1 
ATOM   223  C CB   . LEU A 1 66  ? -13.24129 -25.12784 -32.06294 1.000 22.15150 ? 643  LEU A CB   1 
ATOM   224  C CG   . LEU A 1 66  ? -13.21164 -25.05288 -30.53882 1.000 20.91582 ? 643  LEU A CG   1 
ATOM   225  C CD1  . LEU A 1 66  ? -12.57675 -23.73338 -30.12112 1.000 19.16821 ? 643  LEU A CD1  1 
ATOM   226  C CD2  . LEU A 1 66  ? -14.62124 -25.16445 -29.99428 1.000 22.49644 ? 643  LEU A CD2  1 
ATOM   227  N N    . PHE A 1 67  ? -13.02632 -26.52616 -35.02739 1.000 22.27415 ? 644  PHE A N    1 
ATOM   228  C CA   . PHE A 1 67  ? -13.25603 -26.49584 -36.46366 1.000 21.97987 ? 644  PHE A CA   1 
ATOM   229  C C    . PHE A 1 67  ? -12.47639 -27.63976 -37.09560 1.000 23.22088 ? 644  PHE A C    1 
ATOM   230  O O    . PHE A 1 67  ? -11.65915 -28.30187 -36.44624 1.000 22.93269 ? 644  PHE A O    1 
ATOM   231  C CB   . PHE A 1 67  ? -12.85792 -25.13814 -37.06939 1.000 23.95571 ? 644  PHE A CB   1 
ATOM   232  C CG   . PHE A 1 67  ? -13.63982 -23.98147 -36.51319 1.000 23.42972 ? 644  PHE A CG   1 
ATOM   233  C CD1  . PHE A 1 67  ? -14.83377 -23.59488 -37.10159 1.000 26.66759 ? 644  PHE A CD1  1 
ATOM   234  C CD2  . PHE A 1 67  ? -13.18743 -23.29038 -35.39381 1.000 22.85626 ? 644  PHE A CD2  1 
ATOM   235  C CE1  . PHE A 1 67  ? -15.56386 -22.52832 -36.58565 1.000 27.07546 ? 644  PHE A CE1  1 
ATOM   236  C CE2  . PHE A 1 67  ? -13.91770 -22.22280 -34.88102 1.000 22.91248 ? 644  PHE A CE2  1 
ATOM   237  C CZ   . PHE A 1 67  ? -15.09646 -21.84886 -35.47099 1.000 22.23462 ? 644  PHE A CZ   1 
ATOM   238  N N    . GLU A 1 68  ? -12.74599 -27.87674 -38.37927 1.000 25.96426 ? 645  GLU A N    1 
ATOM   239  C CA   . GLU A 1 68  ? -12.16416 -29.03093 -39.05941 1.000 28.49741 ? 645  GLU A CA   1 
ATOM   240  C C    . GLU A 1 68  ? -10.64427 -28.93819 -39.11263 1.000 30.35836 ? 645  GLU A C    1 
ATOM   241  O O    . GLU A 1 68  ? -9.93832  -29.91383 -38.82327 1.000 27.53287 ? 645  GLU A O    1 
ATOM   242  C CB   . GLU A 1 68  ? -12.73834 -29.13950 -40.46968 1.000 33.05656 ? 645  GLU A CB   1 
ATOM   243  C CG   . GLU A 1 68  ? -12.19365 -30.30779 -41.25411 1.000 34.76847 ? 645  GLU A CG   1 
ATOM   244  C CD   . GLU A 1 68  ? -12.78427 -30.41338 -42.64677 1.000 45.72718 ? 645  GLU A CD   1 
ATOM   245  O OE1  . GLU A 1 68  ? -13.51054 -29.48431 -43.07232 1.000 50.15879 ? 645  GLU A OE1  1 
ATOM   246  O OE2  . GLU A 1 68  ? -12.52006 -31.43576 -43.31767 1.000 51.57952 ? 645  GLU A OE2  1 
ATOM   247  N N    . ASN A 1 69  ? -10.12703 -27.77256 -39.50173 1.000 26.40744 ? 646  ASN A N    1 
ATOM   248  C CA   . ASN A 1 69  ? -8.69848  -27.52815 -39.67246 1.000 27.47925 ? 646  ASN A CA   1 
ATOM   249  C C    . ASN A 1 69  ? -8.32911  -26.36963 -38.76633 1.000 26.78444 ? 646  ASN A C    1 
ATOM   250  O O    . ASN A 1 69  ? -8.76484  -25.23863 -39.00522 1.000 25.43301 ? 646  ASN A O    1 
ATOM   251  C CB   . ASN A 1 69  ? -8.35995  -27.19546 -41.12370 1.000 28.95535 ? 646  ASN A CB   1 
ATOM   252  C CG   . ASN A 1 69  ? -8.58340  -28.36969 -42.04909 1.000 38.03741 ? 646  ASN A CG   1 
ATOM   253  O OD1  . ASN A 1 69  ? -9.20721  -28.24350 -43.10625 1.000 43.67213 ? 646  ASN A OD1  1 
ATOM   254  N ND2  . ASN A 1 69  ? -8.08953  -29.52970 -41.64398 1.000 31.39186 ? 646  ASN A ND2  1 
ATOM   255  N N    . THR A 1 70  ? -7.52962  -26.64281 -37.73480 1.000 24.52777 ? 647  THR A N    1 
ATOM   256  C CA   . THR A 1 70  ? -7.12799  -25.60861 -36.78830 1.000 22.08473 ? 647  THR A CA   1 
ATOM   257  C C    . THR A 1 70  ? -5.62125  -25.62673 -36.56420 1.000 23.02281 ? 647  THR A C    1 
ATOM   258  O O    . THR A 1 70  ? -4.93622  -26.62010 -36.82171 1.000 22.30336 ? 647  THR A O    1 
ATOM   259  C CB   . THR A 1 70  ? -7.79115  -25.78475 -35.41298 1.000 21.45524 ? 647  THR A CB   1 
ATOM   260  O OG1  . THR A 1 70  ? -7.34169  -27.01955 -34.83683 1.000 21.38654 ? 647  THR A OG1  1 
ATOM   261  C CG2  . THR A 1 70  ? -9.32255  -25.78031 -35.51389 1.000 19.14205 ? 647  THR A CG2  1 
ATOM   262  N N    . THR A 1 71  ? -5.12812  -24.50041 -36.05672 1.000 20.66047 ? 648  THR A N    1 
ATOM   263  C CA   . THR A 1 71  ? -3.86828  -24.41697 -35.33008 1.000 20.67423 ? 648  THR A CA   1 
ATOM   264  C C    . THR A 1 71  ? -4.20596  -23.99771 -33.91021 1.000 19.16073 ? 648  THR A C    1 
ATOM   265  O O    . THR A 1 71  ? -4.75822  -22.91244 -33.70342 1.000 19.87311 ? 648  THR A O    1 
ATOM   266  C CB   . THR A 1 71  ? -2.91762  -23.39203 -35.95375 1.000 21.99519 ? 648  THR A CB   1 
ATOM   267  O OG1  . THR A 1 71  ? -2.61115  -23.76520 -37.29163 1.000 22.99381 ? 648  THR A OG1  1 
ATOM   268  C CG2  . THR A 1 71  ? -1.61935  -23.32703 -35.15855 1.000 20.55457 ? 648  THR A CG2  1 
ATOM   269  N N    . LEU A 1 72  ? -3.88853  -24.84589 -32.93398 1.000 16.25997 ? 649  LEU A N    1 
ATOM   270  C CA   . LEU A 1 72  ? -4.14799  -24.52197 -31.53535 1.000 15.33823 ? 649  LEU A CA   1 
ATOM   271  C C    . LEU A 1 72  ? -2.87924  -23.95042 -30.92367 1.000 16.13476 ? 649  LEU A C    1 
ATOM   272  O O    . LEU A 1 72  ? -1.87605  -24.65682 -30.79912 1.000 17.68960 ? 649  LEU A O    1 
ATOM   273  C CB   . LEU A 1 72  ? -4.62007  -25.74468 -30.75365 1.000 15.89487 ? 649  LEU A CB   1 
ATOM   274  C CG   . LEU A 1 72  ? -4.81396  -25.45135 -29.25672 1.000 15.75691 ? 649  LEU A CG   1 
ATOM   275  C CD1  . LEU A 1 72  ? -5.87842  -24.39273 -29.02253 1.000 16.66383 ? 649  LEU A CD1  1 
ATOM   276  C CD2  . LEU A 1 72  ? -5.19131  -26.74051 -28.54400 1.000 16.88195 ? 649  LEU A CD2  1 
ATOM   277  N N    . ILE A 1 73  ? -2.92404  -22.66737 -30.56362 1.000 17.40345 ? 650  ILE A N    1 
ATOM   278  C CA   . ILE A 1 73  ? -1.84195  -21.99543 -29.84612 1.000 16.89435 ? 650  ILE A CA   1 
ATOM   279  C C    . ILE A 1 73  ? -2.21998  -21.98214 -28.37547 1.000 17.59736 ? 650  ILE A C    1 
ATOM   280  O O    . ILE A 1 73  ? -3.30882  -21.52764 -28.01660 1.000 18.08065 ? 650  ILE A O    1 
ATOM   281  C CB   . ILE A 1 73  ? -1.62966  -20.55292 -30.34811 1.000 16.07281 ? 650  ILE A CB   1 
ATOM   282  C CG1  . ILE A 1 73  ? -1.48407  -20.51776 -31.87789 1.000 16.66168 ? 650  ILE A CG1  1 
ATOM   283  C CG2  . ILE A 1 73  ? -0.41175  -19.93004 -29.66388 1.000 18.28773 ? 650  ILE A CG2  1 
ATOM   284  C CD1  . ILE A 1 73  ? -1.30849  -19.10647 -32.43689 1.000 19.61626 ? 650  ILE A CD1  1 
ATOM   285  N N    . VAL A 1 74  ? -1.32557  -22.45988 -27.52049 1.000 15.77269 ? 651  VAL A N    1 
ATOM   286  C CA   . VAL A 1 74  ? -1.56196  -22.47281 -26.08577 1.000 14.62139 ? 651  VAL A CA   1 
ATOM   287  C C    . VAL A 1 74  ? -0.66763  -21.42327 -25.45356 1.000 17.86055 ? 651  VAL A C    1 
ATOM   288  O O    . VAL A 1 74  ? 0.53545   -21.39555 -25.71498 1.000 18.09158 ? 651  VAL A O    1 
ATOM   289  C CB   . VAL A 1 74  ? -1.28127  -23.86249 -25.49202 1.000 19.42595 ? 651  VAL A CB   1 
ATOM   290  C CG1  . VAL A 1 74  ? -1.43017  -23.81506 -23.98817 1.000 20.07172 ? 651  VAL A CG1  1 
ATOM   291  C CG2  . VAL A 1 74  ? -2.23355  -24.89487 -26.12360 1.000 19.68649 ? 651  VAL A CG2  1 
ATOM   292  N N    . GLY A 1 75  ? -1.25343  -20.55317 -24.63252 1.000 18.33011 ? 652  GLY A N    1 
ATOM   293  C CA   . GLY A 1 75  ? -0.48886  -19.56402 -23.89635 1.000 17.93681 ? 652  GLY A CA   1 
ATOM   294  C C    . GLY A 1 75  ? -0.35210  -19.99402 -22.45361 1.000 19.11667 ? 652  GLY A C    1 
ATOM   295  O O    . GLY A 1 75  ? -1.32371  -20.41400 -21.82271 1.000 18.37584 ? 652  GLY A O    1 
ATOM   296  N N    . VAL A 1 76  ? 0.85900   -19.85816 -21.92164 1.000 17.94846 ? 653  VAL A N    1 
ATOM   297  C CA   . VAL A 1 76  ? 1.18961   -20.33540 -20.58343 1.000 16.55413 ? 653  VAL A CA   1 
ATOM   298  C C    . VAL A 1 76  ? 1.56838   -19.13487 -19.73330 1.000 19.82999 ? 653  VAL A C    1 
ATOM   299  O O    . VAL A 1 76  ? 2.51316   -18.41042 -20.06680 1.000 20.13907 ? 653  VAL A O    1 
ATOM   300  C CB   . VAL A 1 76  ? 2.33017   -21.35658 -20.61571 1.000 17.77982 ? 653  VAL A CB   1 
ATOM   301  C CG1  . VAL A 1 76  ? 2.51687   -21.94615 -19.23091 1.000 19.58199 ? 653  VAL A CG1  1 
ATOM   302  C CG2  . VAL A 1 76  ? 2.02612   -22.43408 -21.64550 1.000 18.48976 ? 653  VAL A CG2  1 
ATOM   303  N N    . THR A 1 77  ? 0.84259   -18.92303 -18.63548 1.000 21.36782 ? 654  THR A N    1 
ATOM   304  C CA   . THR A 1 77  ? 1.01791   -17.69775 -17.86126 1.000 22.06854 ? 654  THR A CA   1 
ATOM   305  C C    . THR A 1 77  ? 2.33475   -17.69931 -17.08333 1.000 22.80294 ? 654  THR A C    1 
ATOM   306  O O    . THR A 1 77  ? 2.84083   -18.73844 -16.65499 1.000 24.97788 ? 654  THR A O    1 
ATOM   307  C CB   . THR A 1 77  ? -0.14642  -17.50644 -16.88270 1.000 23.75301 ? 654  THR A CB   1 
ATOM   308  O OG1  . THR A 1 77  ? -0.28922  -18.69210 -16.09696 1.000 24.08821 ? 654  THR A OG1  1 
ATOM   309  C CG2  . THR A 1 77  ? -1.45374  -17.25218 -17.62839 1.000 23.73348 ? 654  THR A CG2  1 
ATOM   310  N N    . SER A 1 78  ? 2.87106   -16.50404 -16.86006 1.000 22.25242 ? 655  SER A N    1 
ATOM   311  C CA   . SER A 1 78  ? 4.13402   -16.37763 -16.14698 1.000 25.81660 ? 655  SER A CA   1 
ATOM   312  C C    . SER A 1 78  ? 3.97141   -16.71514 -14.66526 1.000 26.72243 ? 655  SER A C    1 
ATOM   313  O O    . SER A 1 78  ? 2.88003   -16.64221 -14.09708 1.000 28.30881 ? 655  SER A O    1 
ATOM   314  C CB   . SER A 1 78  ? 4.68599   -14.95860 -16.28074 1.000 29.79378 ? 655  SER A CB   1 
ATOM   315  O OG   . SER A 1 78  ? 3.88614   -14.03749 -15.55636 1.000 31.02028 ? 655  SER A OG   1 
ATOM   316  N N    . ASP A 1 79  ? 5.09206   -17.07156 -14.03225 1.000 28.16730 ? 656  ASP A N    1 
ATOM   317  C CA   . ASP A 1 79  ? 5.06484   -17.39886 -12.60902 1.000 29.14694 ? 656  ASP A CA   1 
ATOM   318  C C    . ASP A 1 79  ? 4.61866   -16.19972 -11.77820 1.000 33.37654 ? 656  ASP A C    1 
ATOM   319  O O    . ASP A 1 79  ? 3.73025   -16.31700 -10.92776 1.000 34.58819 ? 656  ASP A O    1 
ATOM   320  C CB   . ASP A 1 79  ? 6.44252   -17.88267 -12.14776 1.000 33.27836 ? 656  ASP A CB   1 
ATOM   321  C CG   . ASP A 1 79  ? 6.74593   -19.30933 -12.58532 1.000 35.31735 ? 656  ASP A CG   1 
ATOM   322  O OD1  . ASP A 1 79  ? 5.82131   -20.15883 -12.56689 1.000 32.83321 ? 656  ASP A OD1  1 
ATOM   323  O OD2  . ASP A 1 79  ? 7.92395   -19.58814 -12.92527 1.000 38.48842 ? 656  ASP A OD2  1 
ATOM   324  N N    . ASN A 1 80  ? 5.23057   -15.03563 -12.01168 1.000 32.20410 ? 657  ASN A N    1 
ATOM   325  C CA   . ASN A 1 80  ? 4.95015   -13.86427 -11.18423 1.000 36.05192 ? 657  ASN A CA   1 
ATOM   326  C C    . ASN A 1 80  ? 3.48311   -13.46355 -11.28102 1.000 37.20017 ? 657  ASN A C    1 
ATOM   327  O O    . ASN A 1 80  ? 2.82996   -13.18696 -10.26647 1.000 36.31350 ? 657  ASN A O    1 
ATOM   328  C CB   . ASN A 1 80  ? 5.85072   -12.69732 -11.60229 1.000 39.08746 ? 657  ASN A CB   1 
ATOM   329  C CG   . ASN A 1 80  ? 7.30122   -12.88280 -11.17132 1.000 46.97070 ? 657  ASN A CG   1 
ATOM   330  O OD1  . ASN A 1 80  ? 7.67547   -13.92198 -10.62357 1.000 50.36670 ? 657  ASN A OD1  1 
ATOM   331  N ND2  . ASN A 1 80  ? 8.12625   -11.86993 -11.42344 1.000 51.55373 ? 657  ASN A ND2  1 
ATOM   332  N N    . GLU A 1 81  ? 2.95024   -13.42232 -12.50179 1.000 35.75538 ? 658  GLU A N    1 
ATOM   333  C CA   . GLU A 1 81  ? 1.58213   -12.95488 -12.69405 1.000 36.65048 ? 658  GLU A CA   1 
ATOM   334  C C    . GLU A 1 81  ? 0.57268   -13.95217 -12.14373 1.000 35.59483 ? 658  GLU A C    1 
ATOM   335  O O    . GLU A 1 81  ? -0.44113  -13.55484 -11.55974 1.000 35.85479 ? 658  GLU A O    1 
ATOM   336  C CB   . GLU A 1 81  ? 1.33824   -12.66880 -14.17502 1.000 33.64981 ? 658  GLU A CB   1 
ATOM   337  C CG   . GLU A 1 81  ? 2.01782   -11.37236 -14.62660 1.000 35.71592 ? 658  GLU A CG   1 
ATOM   338  C CD   . GLU A 1 81  ? 1.99416   -11.18069 -16.12816 1.000 34.60126 ? 658  GLU A CD   1 
ATOM   339  O OE1  . GLU A 1 81  ? 2.25542   -12.15862 -16.85876 1.000 34.64352 ? 658  GLU A OE1  1 
ATOM   340  O OE2  . GLU A 1 81  ? 1.71875   -10.04458 -16.57237 1.000 35.82916 ? 658  GLU A OE2  1 
ATOM   341  N N    . THR A 1 82  ? 0.84627   -15.25044 -12.28727 1.000 32.92869 ? 659  THR A N    1 
ATOM   342  C CA   . THR A 1 82  ? -0.02918  -16.25372 -11.68907 1.000 34.86809 ? 659  THR A CA   1 
ATOM   343  C C    . THR A 1 82  ? -0.06862  -16.10328 -10.17258 1.000 39.58353 ? 659  THR A C    1 
ATOM   344  O O    . THR A 1 82  ? -1.14718  -16.09493 -9.56730  1.000 42.57971 ? 659  THR A O    1 
ATOM   345  C CB   . THR A 1 82  ? 0.42237   -17.66459 -12.07521 1.000 32.33027 ? 659  THR A CB   1 
ATOM   346  O OG1  . THR A 1 82  ? 0.50266   -17.78047 -13.50271 1.000 27.99003 ? 659  THR A OG1  1 
ATOM   347  C CG2  . THR A 1 82  ? -0.57229  -18.69069 -11.54830 1.000 33.38738 ? 659  THR A CG2  1 
ATOM   348  N N    . LYS A 1 83  ? 1.10313   -15.97885 -9.53678  1.000 38.35358 ? 660  LYS A N    1 
ATOM   349  C CA   . LYS A 1 83  ? 1.12798   -15.79338 -8.08894  1.000 39.79297 ? 660  LYS A CA   1 
ATOM   350  C C    . LYS A 1 83  ? 0.41037   -14.51215 -7.69998  1.000 41.28220 ? 660  LYS A C    1 
ATOM   351  O O    . LYS A 1 83  ? -0.33562  -14.48464 -6.71597  1.000 42.80152 ? 660  LYS A O    1 
ATOM   352  C CB   . LYS A 1 83  ? 2.56723   -15.77231 -7.56228  1.000 40.99076 ? 660  LYS A CB   1 
ATOM   353  C CG   . LYS A 1 83  ? 3.41296   -16.99076 -7.94234  1.000 45.48760 ? 660  LYS A CG   1 
ATOM   354  C CD   . LYS A 1 83  ? 3.90937   -17.77187 -6.72277  1.000 52.35050 ? 660  LYS A CD   1 
ATOM   355  C CE   . LYS A 1 83  ? 2.97267   -18.93651 -6.38664  1.000 52.13640 ? 660  LYS A CE   1 
ATOM   356  N NZ   . LYS A 1 83  ? 3.52815   -19.88675 -5.37057  1.000 51.10728 ? 660  LYS A NZ   1 
ATOM   357  N N    . LEU A 1 84  ? 0.60911   -13.44457 -8.47645  1.000 40.57654 ? 661  LEU A N    1 
ATOM   358  C CA   . LEU A 1 84  ? 0.03232   -12.15110 -8.12659  1.000 43.71271 ? 661  LEU A CA   1 
ATOM   359  C C    . LEU A 1 84  ? -1.48766  -12.16556 -8.24823  1.000 44.79036 ? 661  LEU A C    1 
ATOM   360  O O    . LEU A 1 84  ? -2.19424  -11.67108 -7.36147  1.000 48.13082 ? 661  LEU A O    1 
ATOM   361  C CB   . LEU A 1 84  ? 0.62927   -11.05887 -9.01290  1.000 43.84098 ? 661  LEU A CB   1 
ATOM   362  C CG   . LEU A 1 84  ? 0.18742   -9.63472  -8.68428  1.000 48.19144 ? 661  LEU A CG   1 
ATOM   363  C CD1  . LEU A 1 84  ? 0.77766   -9.20887  -7.35938  1.000 48.70084 ? 661  LEU A CD1  1 
ATOM   364  C CD2  . LEU A 1 84  ? 0.57790   -8.66691  -9.79288  1.000 48.33101 ? 661  LEU A CD2  1 
ATOM   365  N N    . PHE A 1 85  ? -2.01125  -12.72489 -9.34099  1.000 42.88114 ? 662  PHE A N    1 
ATOM   366  C CA   . PHE A 1 85  ? -3.42698  -12.59045 -9.66842  1.000 46.19548 ? 662  PHE A CA   1 
ATOM   367  C C    . PHE A 1 85  ? -4.26451  -13.81764 -9.33768  1.000 46.83961 ? 662  PHE A C    1 
ATOM   368  O O    . PHE A 1 85  ? -5.46278  -13.67635 -9.07543  1.000 51.47244 ? 662  PHE A O    1 
ATOM   369  C CB   . PHE A 1 85  ? -3.59725  -12.26532 -11.15670 1.000 43.16740 ? 662  PHE A CB   1 
ATOM   370  C CG   . PHE A 1 85  ? -2.99737  -10.95064 -11.55633 1.000 44.95329 ? 662  PHE A CG   1 
ATOM   371  C CD1  . PHE A 1 85  ? -3.14834  -9.83408  -10.74962 1.000 47.18553 ? 662  PHE A CD1  1 
ATOM   372  C CD2  . PHE A 1 85  ? -2.27101  -10.83404 -12.73003 1.000 40.33473 ? 662  PHE A CD2  1 
ATOM   373  C CE1  . PHE A 1 85  ? -2.59149  -8.62388  -11.10700 1.000 48.62671 ? 662  PHE A CE1  1 
ATOM   374  C CE2  . PHE A 1 85  ? -1.71339  -9.62456  -13.09392 1.000 44.35846 ? 662  PHE A CE2  1 
ATOM   375  C CZ   . PHE A 1 85  ? -1.87098  -8.52092  -12.28333 1.000 47.74470 ? 662  PHE A CZ   1 
ATOM   376  N N    . LYS A 1 86  ? -3.68814  -15.01445 -9.34633  1.000 48.77071 ? 663  LYS A N    1 
ATOM   377  C CA   . LYS A 1 86  ? -4.46343  -16.21773 -9.07895  1.000 50.28729 ? 663  LYS A CA   1 
ATOM   378  C C    . LYS A 1 86  ? -4.09007  -16.87832 -7.76306  1.000 52.62003 ? 663  LYS A C    1 
ATOM   379  O O    . LYS A 1 86  ? -4.96577  -17.14253 -6.93327  1.000 57.62733 ? 663  LYS A O    1 
ATOM   380  C CB   . LYS A 1 86  ? -4.31410  -17.22640 -10.22437 1.000 49.91982 ? 663  LYS A CB   1 
ATOM   381  C CG   . LYS A 1 86  ? -5.46406  -18.21224 -10.26645 1.000 55.64901 ? 663  LYS A CG   1 
ATOM   382  C CD   . LYS A 1 86  ? -5.33877  -19.22314 -11.38688 1.000 54.28312 ? 663  LYS A CD   1 
ATOM   383  C CE   . LYS A 1 86  ? -6.64687  -19.98997 -11.52457 1.000 59.45331 ? 663  LYS A CE   1 
ATOM   384  N NZ   . LYS A 1 86  ? -6.43842  -21.37299 -12.01601 1.000 60.13293 ? 663  LYS A NZ   1 
ATOM   385  N N    . GLY A 1 87  ? -2.81666  -17.14749 -7.54565  1.000 49.65519 ? 664  GLY A N    1 
ATOM   386  C CA   . GLY A 1 87  ? -2.37896  -17.74231 -6.30748  1.000 52.42447 ? 664  GLY A CA   1 
ATOM   387  C C    . GLY A 1 87  ? -1.23407  -18.69854 -6.55091  1.000 50.70679 ? 664  GLY A C    1 
ATOM   388  O O    . GLY A 1 87  ? -0.62184  -18.70234 -7.61860  1.000 48.69236 ? 664  GLY A O    1 
ATOM   389  N N    . GLN A 1 88  ? -0.97635  -19.52226 -5.53697  1.000 52.45749 ? 665  GLN A N    1 
ATOM   390  C CA   . GLN A 1 88  ? 0.18134   -20.40321 -5.53475  1.000 51.27036 ? 665  GLN A CA   1 
ATOM   391  C C    . GLN A 1 88  ? 0.23359   -21.24841 -6.79915  1.000 49.46727 ? 665  GLN A C    1 
ATOM   392  O O    . GLN A 1 88  ? -0.78332  -21.76572 -7.26930  1.000 50.81867 ? 665  GLN A O    1 
ATOM   393  C CB   . GLN A 1 88  ? 0.14411   -21.30875 -4.30234  1.000 55.48063 ? 665  GLN A CB   1 
ATOM   394  N N    . VAL A 1 89  ? 1.43385   -21.38110 -7.34991  1.000 45.72476 ? 666  VAL A N    1 
ATOM   395  C CA   . VAL A 1 89  ? 1.68951   -22.24477 -8.49113  1.000 41.55836 ? 666  VAL A CA   1 
ATOM   396  C C    . VAL A 1 89  ? 2.73750   -23.25881 -8.06110  1.000 39.34715 ? 666  VAL A C    1 
ATOM   397  O O    . VAL A 1 89  ? 3.72027   -22.89860 -7.40229  1.000 38.89433 ? 666  VAL A O    1 
ATOM   398  C CB   . VAL A 1 89  ? 2.15073   -21.43782 -9.71731  1.000 39.92924 ? 666  VAL A CB   1 
ATOM   399  C CG1  . VAL A 1 89  ? 3.46178   -20.72984 -9.41718  1.000 44.23307 ? 666  VAL A CG1  1 
ATOM   400  C CG2  . VAL A 1 89  ? 2.28569   -22.33609 -10.92581 1.000 34.59144 ? 666  VAL A CG2  1 
ATOM   401  N N    . VAL A 1 90  ? 2.51484   -24.52507 -8.40436  1.000 34.25795 ? 667  VAL A N    1 
ATOM   402  C CA   . VAL A 1 90  ? 3.40726   -25.57911 -7.93921  1.000 33.25072 ? 667  VAL A CA   1 
ATOM   403  C C    . VAL A 1 90  ? 4.60801   -25.70876 -8.86225  1.000 31.05971 ? 667  VAL A C    1 
ATOM   404  O O    . VAL A 1 90  ? 5.75780   -25.74757 -8.40623  1.000 29.69804 ? 667  VAL A O    1 
ATOM   405  C CB   . VAL A 1 90  ? 2.64762   -26.91332 -7.81356  1.000 38.98361 ? 667  VAL A CB   1 
ATOM   406  C CG1  . VAL A 1 90  ? 3.57452   -28.00195 -7.29074  1.000 39.99645 ? 667  VAL A CG1  1 
ATOM   407  C CG2  . VAL A 1 90  ? 1.42722   -26.75737 -6.91223  1.000 45.27796 ? 667  VAL A CG2  1 
ATOM   408  N N    . GLN A 1 91  ? 4.36501   -25.75528 -10.16980 1.000 29.29310 ? 668  GLN A N    1 
ATOM   409  C CA   . GLN A 1 91  ? 5.41956   -25.91922 -11.15946 1.000 27.75464 ? 668  GLN A CA   1 
ATOM   410  C C    . GLN A 1 91  ? 5.83461   -24.58137 -11.75427 1.000 27.35429 ? 668  GLN A C    1 
ATOM   411  O O    . GLN A 1 91  ? 5.01351   -23.67830 -11.94639 1.000 25.41030 ? 668  GLN A O    1 
ATOM   412  C CB   . GLN A 1 91  ? 4.97186   -26.83736 -12.29902 1.000 27.64016 ? 668  GLN A CB   1 
ATOM   413  C CG   . GLN A 1 91  ? 4.73408   -28.28720 -11.91269 1.000 30.10655 ? 668  GLN A CG   1 
ATOM   414  C CD   . GLN A 1 91  ? 4.26447   -29.08962 -13.10238 1.000 29.85265 ? 668  GLN A CD   1 
ATOM   415  O OE1  . GLN A 1 91  ? 3.17432   -28.85432 -13.62660 1.000 27.74864 ? 668  GLN A OE1  1 
ATOM   416  N NE2  . GLN A 1 91  ? 5.10321   -30.01428 -13.56723 1.000 31.79408 ? 668  GLN A NE2  1 
ATOM   417  N N    . THR A 1 92  ? 7.11612   -24.48522 -12.08897 1.000 25.10765 ? 669  THR A N    1 
ATOM   418  C CA   . THR A 1 92  ? 7.64008   -23.29075 -12.72681 1.000 26.54326 ? 669  THR A CA   1 
ATOM   419  C C    . THR A 1 92  ? 7.10315   -23.16883 -14.14657 1.000 24.97346 ? 669  THR A C    1 
ATOM   420  O O    . THR A 1 92  ? 6.58746   -24.12338 -14.73535 1.000 23.92288 ? 669  THR A O    1 
ATOM   421  C CB   . THR A 1 92  ? 9.16608   -23.33392 -12.77106 1.000 28.57378 ? 669  THR A CB   1 
ATOM   422  O OG1  . THR A 1 92  ? 9.56172   -24.37882 -13.66599 1.000 27.58429 ? 669  THR A OG1  1 
ATOM   423  C CG2  . THR A 1 92  ? 9.73270   -23.61566 -11.38547 1.000 31.80771 ? 669  THR A CG2  1 
ATOM   424  N N    . LEU A 1 93  ? 7.25285   -21.97257 -14.71279 1.000 27.23651 ? 670  LEU A N    1 
ATOM   425  C CA   . LEU A 1 93  ? 6.82615   -21.76825 -16.09310 1.000 23.59889 ? 670  LEU A CA   1 
ATOM   426  C C    . LEU A 1 93  ? 7.46046   -22.79911 -17.01474 1.000 24.62908 ? 670  LEU A C    1 
ATOM   427  O O    . LEU A 1 93  ? 6.79293   -23.36507 -17.88743 1.000 22.35965 ? 670  LEU A O    1 
ATOM   428  C CB   . LEU A 1 93  ? 7.19421   -20.35620 -16.55301 1.000 25.27330 ? 670  LEU A CB   1 
ATOM   429  C CG   . LEU A 1 93  ? 6.91860   -20.05717 -18.03055 1.000 24.30558 ? 670  LEU A CG   1 
ATOM   430  C CD1  . LEU A 1 93  ? 5.42417   -20.02833 -18.31374 1.000 23.30862 ? 670  LEU A CD1  1 
ATOM   431  C CD2  . LEU A 1 93  ? 7.56983   -18.74876 -18.46232 1.000 26.17809 ? 670  LEU A CD2  1 
ATOM   432  N N    . GLU A 1 94  ? 8.75852   -23.04299 -16.83305 1.000 24.15793 ? 671  GLU A N    1 
ATOM   433  C CA   . GLU A 1 94  ? 9.47858   -23.99793 -17.66710 1.000 24.66317 ? 671  GLU A CA   1 
ATOM   434  C C    . GLU A 1 94  ? 8.89425   -25.39960 -17.53427 1.000 24.97321 ? 671  GLU A C    1 
ATOM   435  O O    . GLU A 1 94  ? 8.69827   -26.10166 -18.53822 1.000 23.40363 ? 671  GLU A O    1 
ATOM   436  C CB   . GLU A 1 94  ? 10.96181  -23.97654 -17.28381 1.000 27.89693 ? 671  GLU A CB   1 
ATOM   437  C CG   . GLU A 1 94  ? 11.66640  -22.62353 -17.56928 1.000 35.77278 ? 671  GLU A CG   1 
ATOM   438  C CD   . GLU A 1 94  ? 11.16231  -21.41933 -16.72320 1.000 40.43857 ? 671  GLU A CD   1 
ATOM   439  O OE1  . GLU A 1 94  ? 10.79649  -21.59720 -15.53326 1.000 31.32554 ? 671  GLU A OE1  1 
ATOM   440  O OE2  . GLU A 1 94  ? 11.15070  -20.27793 -17.25661 1.000 38.57558 ? 671  GLU A OE2  1 
ATOM   441  N N    . GLU A 1 95  ? 8.59094   -25.81729 -16.30402 1.000 22.39779 ? 672  GLU A N    1 
ATOM   442  C CA   . GLU A 1 95  ? 7.99950   -27.13580 -16.09088 1.000 23.68155 ? 672  GLU A CA   1 
ATOM   443  C C    . GLU A 1 95  ? 6.60453   -27.22965 -16.69511 1.000 23.23669 ? 672  GLU A C    1 
ATOM   444  O O    . GLU A 1 95  ? 6.24536   -28.25203 -17.28999 1.000 21.84288 ? 672  GLU A O    1 
ATOM   445  C CB   . GLU A 1 95  ? 7.95122   -27.45621 -14.59520 1.000 24.54480 ? 672  GLU A CB   1 
ATOM   446  C CG   . GLU A 1 95  ? 9.31402   -27.62190 -13.96355 1.000 29.06999 ? 672  GLU A CG   1 
ATOM   447  C CD   . GLU A 1 95  ? 9.24289   -27.69704 -12.45364 1.000 32.04626 ? 672  GLU A CD   1 
ATOM   448  O OE1  . GLU A 1 95  ? 8.32913   -27.07627 -11.87476 1.000 32.43178 ? 672  GLU A OE1  1 
ATOM   449  O OE2  . GLU A 1 95  ? 10.09912  -28.36951 -11.83970 1.000 37.64937 ? 672  GLU A OE2  1 
ATOM   450  N N    . ARG A 1 96  ? 5.79205   -26.18966 -16.52727 1.000 22.63044 ? 673  ARG A N    1 
ATOM   451  C CA   . ARG A 1 96  ? 4.44178   -26.22215 -17.08063 1.000 19.43617 ? 673  ARG A CA   1 
ATOM   452  C C    . ARG A 1 96  ? 4.47565   -26.21511 -18.60052 1.000 20.93426 ? 673  ARG A C    1 
ATOM   453  O O    . ARG A 1 96  ? 3.66714   -26.88718 -19.24671 1.000 20.92791 ? 673  ARG A O    1 
ATOM   454  C CB   . ARG A 1 96  ? 3.63212   -25.03985 -16.54492 1.000 20.25955 ? 673  ARG A CB   1 
ATOM   455  C CG   . ARG A 1 96  ? 3.44686   -25.10897 -15.03428 1.000 22.98160 ? 673  ARG A CG   1 
ATOM   456  C CD   . ARG A 1 96  ? 2.62591   -23.96026 -14.46323 1.000 23.49631 ? 673  ARG A CD   1 
ATOM   457  N NE   . ARG A 1 96  ? 3.41161   -22.74831 -14.23898 1.000 23.60023 ? 673  ARG A NE   1 
ATOM   458  C CZ   . ARG A 1 96  ? 3.22343   -21.59471 -14.86864 1.000 22.11276 ? 673  ARG A CZ   1 
ATOM   459  N NH1  . ARG A 1 96  ? 2.27221   -21.44603 -15.77894 1.000 20.64270 ? 673  ARG A NH1  1 
ATOM   460  N NH2  . ARG A 1 96  ? 3.99939   -20.55344 -14.56248 1.000 22.95105 ? 673  ARG A NH2  1 
ATOM   461  N N    . THR A 1 97  ? 5.41473   -25.47751 -19.18985 1.000 18.49399 ? 674  THR A N    1 
ATOM   462  C CA   . THR A 1 97  ? 5.50087   -25.42752 -20.64444 1.000 19.57782 ? 674  THR A CA   1 
ATOM   463  C C    . THR A 1 97  ? 5.97884   -26.76259 -21.20613 1.000 19.85383 ? 674  THR A C    1 
ATOM   464  O O    . THR A 1 97  ? 5.49331   -27.21900 -22.24814 1.000 20.30249 ? 674  THR A O    1 
ATOM   465  C CB   . THR A 1 97  ? 6.43105   -24.28290 -21.05694 1.000 19.63691 ? 674  THR A CB   1 
ATOM   466  O OG1  . THR A 1 97  ? 5.88777   -23.05203 -20.56278 1.000 19.20175 ? 674  THR A OG1  1 
ATOM   467  C CG2  . THR A 1 97  ? 6.57253   -24.19853 -22.58276 1.000 19.00864 ? 674  THR A CG2  1 
ATOM   468  N N    . GLU A 1 98  ? 6.89916   -27.41900 -20.50111 1.000 20.37796 ? 675  GLU A N    1 
ATOM   469  C CA   . GLU A 1 98  ? 7.47947   -28.66458 -20.99140 1.000 20.85694 ? 675  GLU A CA   1 
ATOM   470  C C    . GLU A 1 98  ? 6.42850   -29.75935 -21.13451 1.000 22.39894 ? 675  GLU A C    1 
ATOM   471  O O    . GLU A 1 98  ? 6.44719   -30.52208 -22.11118 1.000 23.50127 ? 675  GLU A O    1 
ATOM   472  C CB   . GLU A 1 98  ? 8.58224   -29.12876 -20.04394 1.000 23.11375 ? 675  GLU A CB   1 
ATOM   473  C CG   . GLU A 1 98  ? 9.39360   -30.28893 -20.57569 1.000 27.17110 ? 675  GLU A CG   1 
ATOM   474  C CD   . GLU A 1 98  ? 10.34730  -29.86356 -21.66977 1.000 30.90438 ? 675  GLU A CD   1 
ATOM   475  O OE1  . GLU A 1 98  ? 10.46865  -28.64648 -21.91145 1.000 32.56883 ? 675  GLU A OE1  1 
ATOM   476  O OE2  . GLU A 1 98  ? 10.98634  -30.73929 -22.28326 1.000 36.84152 ? 675  GLU A OE2  1 
ATOM   477  N N    . THR A 1 99  ? 5.54183   -29.89396 -20.14988 1.000 20.39908 ? 676  THR A N    1 
ATOM   478  C CA   . THR A 1 99  ? 4.52098   -30.93670 -20.24293 1.000 20.92631 ? 676  THR A CA   1 
ATOM   479  C C    . THR A 1 99  ? 3.65142   -30.73870 -21.47989 1.000 21.21003 ? 676  THR A C    1 
ATOM   480  O O    . THR A 1 99  ? 3.26770   -31.70998 -22.14757 1.000 20.24980 ? 676  THR A O    1 
ATOM   481  C CB   . THR A 1 99  ? 3.65335   -30.96067 -18.98233 1.000 23.25211 ? 676  THR A CB   1 
ATOM   482  O OG1  . THR A 1 99  ? 4.48355   -31.03643 -17.81983 1.000 27.36069 ? 676  THR A OG1  1 
ATOM   483  C CG2  . THR A 1 99  ? 2.76588   -32.18340 -18.98473 1.000 22.65130 ? 676  THR A CG2  1 
ATOM   484  N N    . LEU A 1 100 ? 3.33164   -29.48620 -21.80415 1.000 19.47915 ? 677  LEU A N    1 
ATOM   485  C CA   . LEU A 1 100 ? 2.43992   -29.20821 -22.92755 1.000 16.99981 ? 677  LEU A CA   1 
ATOM   486  C C    . LEU A 1 100 ? 3.04475   -29.60564 -24.26818 1.000 20.15242 ? 677  LEU A C    1 
ATOM   487  O O    . LEU A 1 100 ? 2.29859   -29.82429 -25.22930 1.000 21.43733 ? 677  LEU A O    1 
ATOM   488  C CB   . LEU A 1 100 ? 2.06373   -27.72060 -22.93223 1.000 18.05542 ? 677  LEU A CB   1 
ATOM   489  C CG   . LEU A 1 100 ? 1.10397   -27.32289 -21.81347 1.000 19.99084 ? 677  LEU A CG   1 
ATOM   490  C CD1  . LEU A 1 100 ? 1.09815   -25.80001 -21.64802 1.000 18.22143 ? 677  LEU A CD1  1 
ATOM   491  C CD2  . LEU A 1 100 ? -0.29919  -27.82968 -22.11026 1.000 19.41615 ? 677  LEU A CD2  1 
ATOM   492  N N    . LYS A 1 101 ? 4.37225   -29.71472 -24.35703 1.000 20.80024 ? 678  LYS A N    1 
ATOM   493  C CA   . LYS A 1 101 ? 4.99734   -30.16621 -25.59774 1.000 22.32177 ? 678  LYS A CA   1 
ATOM   494  C C    . LYS A 1 101 ? 4.65116   -31.61653 -25.92068 1.000 23.77372 ? 678  LYS A C    1 
ATOM   495  O O    . LYS A 1 101 ? 4.89464   -32.07380 -27.04709 1.000 28.87623 ? 678  LYS A O    1 
ATOM   496  C CB   . LYS A 1 101 ? 6.52023   -30.01700 -25.50834 1.000 23.79014 ? 678  LYS A CB   1 
ATOM   497  C CG   . LYS A 1 101 ? 6.97700   -28.59633 -25.18494 1.000 24.40937 ? 678  LYS A CG   1 
ATOM   498  C CD   . LYS A 1 101 ? 8.46874   -28.55189 -24.88352 1.000 25.82819 ? 678  LYS A CD   1 
ATOM   499  C CE   . LYS A 1 101 ? 8.88088   -27.14052 -24.45719 1.000 26.80063 ? 678  LYS A CE   1 
ATOM   500  N NZ   . LYS A 1 101 ? 10.35380  -27.05564 -24.30364 1.000 29.51945 ? 678  LYS A NZ   1 
ATOM   501  N N    . HIS A 1 102 ? 4.12243   -32.35797 -24.95719 1.000 18.65183 ? 679  HIS A N    1 
ATOM   502  C CA   . HIS A 1 102 ? 3.83758   -33.76819 -25.15051 1.000 18.48358 ? 679  HIS A CA   1 
ATOM   503  C C    . HIS A 1 102 ? 2.37300   -34.03357 -25.43545 1.000 17.47793 ? 679  HIS A C    1 
ATOM   504  O O    . HIS A 1 102 ? 1.99381   -35.19828 -25.60807 1.000 20.33144 ? 679  HIS A O    1 
ATOM   505  C CB   . HIS A 1 102 ? 4.28525   -34.55628 -23.92429 1.000 19.09902 ? 679  HIS A CB   1 
ATOM   506  C CG   . HIS A 1 102 ? 5.76564   -34.52232 -23.71743 1.000 19.17291 ? 679  HIS A CG   1 
ATOM   507  N ND1  . HIS A 1 102 ? 6.61545   -35.43132 -24.30441 1.000 20.52416 ? 679  HIS A ND1  1 
ATOM   508  C CD2  . HIS A 1 102 ? 6.55154   -33.66025 -23.03179 1.000 21.14796 ? 679  HIS A CD2  1 
ATOM   509  C CE1  . HIS A 1 102 ? 7.86093   -35.15039 -23.96276 1.000 22.81474 ? 679  HIS A CE1  1 
ATOM   510  N NE2  . HIS A 1 102 ? 7.85046   -34.07648 -23.19318 1.000 22.98281 ? 679  HIS A NE2  1 
ATOM   511  N N    . ILE A 1 103 ? 1.55327   -32.99239 -25.51313 1.000 18.54161 ? 680  ILE A N    1 
ATOM   512  C CA   . ILE A 1 103 ? 0.11089   -33.16883 -25.63428 1.000 17.45862 ? 680  ILE A CA   1 
ATOM   513  C C    . ILE A 1 103 ? -0.26838  -33.11213 -27.10706 1.000 18.23405 ? 680  ILE A C    1 
ATOM   514  O O    . ILE A 1 103 ? 0.15667   -32.20615 -27.83859 1.000 19.73420 ? 680  ILE A O    1 
ATOM   515  C CB   . ILE A 1 103 ? -0.63910  -32.10794 -24.81149 1.000 17.94703 ? 680  ILE A CB   1 
ATOM   516  C CG1  . ILE A 1 103 ? -0.20482  -32.21680 -23.34421 1.000 17.67607 ? 680  ILE A CG1  1 
ATOM   517  C CG2  . ILE A 1 103 ? -2.16216  -32.27865 -24.96839 1.000 19.36885 ? 680  ILE A CG2  1 
ATOM   518  C CD1  . ILE A 1 103 ? -0.45889  -33.59938 -22.71498 1.000 20.17841 ? 680  ILE A CD1  1 
ATOM   519  N N    . ARG A 1 104 ? -1.07558  -34.08140 -27.53336 1.000 17.65852 ? 681  ARG A N    1 
ATOM   520  C CA   . ARG A 1 104 ? -1.36948  -34.28820 -28.94854 1.000 21.38379 ? 681  ARG A CA   1 
ATOM   521  C C    . ARG A 1 104 ? -1.99076  -33.05010 -29.58118 1.000 21.16581 ? 681  ARG A C    1 
ATOM   522  O O    . ARG A 1 104 ? -1.73636  -32.73584 -30.75388 1.000 20.60316 ? 681  ARG A O    1 
ATOM   523  C CB   . ARG A 1 104 ? -2.32055  -35.48041 -29.07832 1.000 24.17193 ? 681  ARG A CB   1 
ATOM   524  C CG   . ARG A 1 104 ? -2.64974  -35.90423 -30.49101 1.000 28.05169 ? 681  ARG A CG   1 
ATOM   525  C CD   . ARG A 1 104 ? -3.71314  -36.99145 -30.49015 1.000 29.07771 ? 681  ARG A CD   1 
ATOM   526  N NE   . ARG A 1 104 ? -3.41259  -38.12131 -29.61078 1.000 30.24751 ? 681  ARG A NE   1 
ATOM   527  C CZ   . ARG A 1 104 ? -2.59801  -39.13204 -29.89935 1.000 33.66190 ? 681  ARG A CZ   1 
ATOM   528  N NH1  . ARG A 1 104 ? -1.86306  -39.14201 -31.00260 1.000 33.15278 ? 681  ARG A NH1  1 
ATOM   529  N NH2  . ARG A 1 104 ? -2.52681  -40.17083 -29.06115 1.000 30.04068 ? 681  ARG A NH2  1 
ATOM   530  N N    . TRP A 1 105 ? -2.82266  -32.35222 -28.82610 1.000 18.54740 ? 682  TRP A N    1 
ATOM   531  C CA   . TRP A 1 105 ? -3.68125  -31.31326 -29.37673 1.000 16.73605 ? 682  TRP A CA   1 
ATOM   532  C C    . TRP A 1 105 ? -2.96259  -29.98775 -29.54639 1.000 18.91918 ? 682  TRP A C    1 
ATOM   533  O O    . TRP A 1 105 ? -3.49237  -29.10081 -30.22161 1.000 19.58936 ? 682  TRP A O    1 
ATOM   534  C CB   . TRP A 1 105 ? -4.88907  -31.10639 -28.46157 1.000 18.16269 ? 682  TRP A CB   1 
ATOM   535  C CG   . TRP A 1 105 ? -5.41493  -32.39090 -27.93945 1.000 18.12873 ? 682  TRP A CG   1 
ATOM   536  C CD1  . TRP A 1 105 ? -5.39405  -32.81595 -26.64367 1.000 18.07015 ? 682  TRP A CD1  1 
ATOM   537  C CD2  . TRP A 1 105 ? -5.99997  -33.44247 -28.70086 1.000 18.89526 ? 682  TRP A CD2  1 
ATOM   538  N NE1  . TRP A 1 105 ? -5.94617  -34.06101 -26.54396 1.000 20.20465 ? 682  TRP A NE1  1 
ATOM   539  C CE2  . TRP A 1 105 ? -6.32749  -34.48097 -27.79036 1.000 21.68077 ? 682  TRP A CE2  1 
ATOM   540  C CE3  . TRP A 1 105 ? -6.29182  -33.61561 -30.06135 1.000 21.10143 ? 682  TRP A CE3  1 
ATOM   541  C CZ2  . TRP A 1 105 ? -6.92061  -35.66865 -28.19146 1.000 23.86715 ? 682  TRP A CZ2  1 
ATOM   542  C CZ3  . TRP A 1 105 ? -6.88413  -34.80990 -30.45975 1.000 23.99486 ? 682  TRP A CZ3  1 
ATOM   543  C CH2  . TRP A 1 105 ? -7.19872  -35.81783 -29.52585 1.000 28.04794 ? 682  TRP A CH2  1 
ATOM   544  N N    . VAL A 1 106 ? -1.78563  -29.84001 -28.95922 1.000 17.92012 ? 683  VAL A N    1 
ATOM   545  C CA   . VAL A 1 106 ? -1.09106  -28.55413 -28.92193 1.000 19.22915 ? 683  VAL A CA   1 
ATOM   546  C C    . VAL A 1 106 ? -0.22940  -28.42687 -30.17411 1.000 18.68535 ? 683  VAL A C    1 
ATOM   547  O O    . VAL A 1 106 ? 0.63944   -29.26880 -30.43464 1.000 21.91801 ? 683  VAL A O    1 
ATOM   548  C CB   . VAL A 1 106 ? -0.24684  -28.43217 -27.64825 1.000 19.47370 ? 683  VAL A CB   1 
ATOM   549  C CG1  . VAL A 1 106 ? 0.56905   -27.12922 -27.66363 1.000 19.98034 ? 683  VAL A CG1  1 
ATOM   550  C CG2  . VAL A 1 106 ? -1.13015  -28.52140 -26.39990 1.000 19.93057 ? 683  VAL A CG2  1 
ATOM   551  N N    . ASP A 1 107 ? -0.45170  -27.35825 -30.94313 1.000 17.42082 ? 684  ASP A N    1 
ATOM   552  C CA   . ASP A 1 107 ? 0.30236   -27.11139 -32.16086 1.000 18.61894 ? 684  ASP A CA   1 
ATOM   553  C C    . ASP A 1 107 ? 1.42104   -26.09689 -31.96489 1.000 19.14364 ? 684  ASP A C    1 
ATOM   554  O O    . ASP A 1 107 ? 2.52263   -26.28264 -32.49788 1.000 20.89766 ? 684  ASP A O    1 
ATOM   555  C CB   . ASP A 1 107 ? -0.63501  -26.64359 -33.27552 1.000 18.58986 ? 684  ASP A CB   1 
ATOM   556  C CG   . ASP A 1 107 ? -1.66889  -27.69953 -33.64123 1.000 20.54446 ? 684  ASP A CG   1 
ATOM   557  O OD1  . ASP A 1 107 ? -1.28957  -28.89029 -33.82274 1.000 21.65676 ? 684  ASP A OD1  1 
ATOM   558  O OD2  . ASP A 1 107 ? -2.85167  -27.34369 -33.74027 1.000 21.59036 ? 684  ASP A OD2  1 
ATOM   559  N N    . GLU A 1 108 ? 1.16451   -25.04622 -31.19332 1.000 17.35842 ? 685  GLU A N    1 
ATOM   560  C CA   . GLU A 1 108 ? 2.12556   -23.97530 -30.95778 1.000 17.58221 ? 685  GLU A CA   1 
ATOM   561  C C    . GLU A 1 108 ? 1.96225   -23.48271 -29.52843 1.000 16.27851 ? 685  GLU A C    1 
ATOM   562  O O    . GLU A 1 108 ? 0.88822   -23.60948 -28.94133 1.000 16.93846 ? 685  GLU A O    1 
ATOM   563  C CB   . GLU A 1 108 ? 1.90877   -22.82402 -31.95677 1.000 19.51295 ? 685  GLU A CB   1 
ATOM   564  C CG   . GLU A 1 108 ? 2.04118   -23.27289 -33.38291 1.000 18.51560 ? 685  GLU A CG   1 
ATOM   565  C CD   . GLU A 1 108 ? 1.81682   -22.17396 -34.40479 1.000 22.96838 ? 685  GLU A CD   1 
ATOM   566  O OE1  . GLU A 1 108 ? 1.44855   -21.04435 -34.01507 1.000 25.27590 ? 685  GLU A OE1  1 
ATOM   567  O OE2  . GLU A 1 108 ? 1.99568   -22.45020 -35.60728 1.000 27.29756 ? 685  GLU A OE2  1 
ATOM   568  N N    . ILE A 1 109 ? 3.03249   -22.91913 -28.96248 1.000 17.86487 ? 686  ILE A N    1 
ATOM   569  C CA   . ILE A 1 109 ? 2.99946   -22.45084 -27.57664 1.000 16.12697 ? 686  ILE A CA   1 
ATOM   570  C C    . ILE A 1 109 ? 3.54859   -21.03366 -27.52151 1.000 16.93423 ? 686  ILE A C    1 
ATOM   571  O O    . ILE A 1 109 ? 4.53361   -20.72090 -28.20061 1.000 18.52007 ? 686  ILE A O    1 
ATOM   572  C CB   . ILE A 1 109 ? 3.81362   -23.36685 -26.63171 1.000 19.27600 ? 686  ILE A CB   1 
ATOM   573  C CG1  . ILE A 1 109 ? 3.13318   -24.72435 -26.44567 1.000 16.36142 ? 686  ILE A CG1  1 
ATOM   574  C CG2  . ILE A 1 109 ? 3.96206   -22.71202 -25.26668 1.000 18.71018 ? 686  ILE A CG2  1 
ATOM   575  C CD1  . ILE A 1 109 ? 3.94896   -25.72046 -25.62554 1.000 19.48474 ? 686  ILE A CD1  1 
ATOM   576  N N    . ILE A 1 110 ? 2.89415   -20.17571 -26.73222 1.000 16.81228 ? 687  ILE A N    1 
ATOM   577  C CA   . ILE A 1 110 ? 3.41626   -18.86017 -26.36027 1.000 17.48926 ? 687  ILE A CA   1 
ATOM   578  C C    . ILE A 1 110 ? 3.66641   -18.91282 -24.85899 1.000 18.19656 ? 687  ILE A C    1 
ATOM   579  O O    . ILE A 1 110 ? 2.71981   -19.03705 -24.06895 1.000 18.07692 ? 687  ILE A O    1 
ATOM   580  C CB   . ILE A 1 110 ? 2.45127   -17.72363 -26.73040 1.000 16.38487 ? 687  ILE A CB   1 
ATOM   581  C CG1  . ILE A 1 110 ? 2.19550   -17.70249 -28.23941 1.000 18.61673 ? 687  ILE A CG1  1 
ATOM   582  C CG2  . ILE A 1 110 ? 3.02525   -16.35142 -26.29283 1.000 20.88955 ? 687  ILE A CG2  1 
ATOM   583  C CD1  . ILE A 1 110 ? 1.07368   -16.77678 -28.67068 1.000 21.28367 ? 687  ILE A CD1  1 
ATOM   584  N N    . SER A 1 111 ? 4.93699   -18.83467 -24.46014 1.000 17.29170 ? 688  SER A N    1 
ATOM   585  C CA   . SER A 1 111 ? 5.31959   -19.01313 -23.05924 1.000 17.97612 ? 688  SER A CA   1 
ATOM   586  C C    . SER A 1 111 ? 6.52434   -18.13703 -22.73102 1.000 18.78228 ? 688  SER A C    1 
ATOM   587  O O    . SER A 1 111 ? 7.61701   -18.34832 -23.27483 1.000 18.89555 ? 688  SER A O    1 
ATOM   588  C CB   . SER A 1 111 ? 5.63125   -20.48891 -22.76743 1.000 17.61839 ? 688  SER A CB   1 
ATOM   589  O OG   . SER A 1 111 ? 6.24802   -20.65014 -21.50053 1.000 22.40256 ? 688  SER A OG   1 
ATOM   590  N N    . PRO A 1 112 ? 6.37094   -17.12439 -21.86791 1.000 21.95174 ? 689  PRO A N    1 
ATOM   591  C CA   . PRO A 1 112 ? 5.12603   -16.78218 -21.18182 1.000 19.82342 ? 689  PRO A CA   1 
ATOM   592  C C    . PRO A 1 112 ? 4.15220   -16.06005 -22.10219 1.000 20.80465 ? 689  PRO A C    1 
ATOM   593  O O    . PRO A 1 112 ? 4.56565   -15.44433 -23.08715 1.000 20.25183 ? 689  PRO A O    1 
ATOM   594  C CB   . PRO A 1 112 ? 5.59458   -15.85342 -20.05961 1.000 19.80752 ? 689  PRO A CB   1 
ATOM   595  C CG   . PRO A 1 112 ? 6.78679   -15.15262 -20.66578 1.000 23.83274 ? 689  PRO A CG   1 
ATOM   596  C CD   . PRO A 1 112 ? 7.47558   -16.23700 -21.47344 1.000 20.91647 ? 689  PRO A CD   1 
ATOM   597  N N    . CYS A 1 113 ? 2.87863   -16.14930 -21.78602 1.000 20.35001 ? 690  CYS A N    1 
ATOM   598  C CA   . CYS A 1 113 ? 1.86512   -15.37256 -22.47239 1.000 20.19299 ? 690  CYS A CA   1 
ATOM   599  C C    . CYS A 1 113 ? 1.41906   -14.20270 -21.61650 1.000 25.05709 ? 690  CYS A C    1 
ATOM   600  O O    . CYS A 1 113 ? 1.68567   -14.14755 -20.41145 1.000 25.41236 ? 690  CYS A O    1 
ATOM   601  C CB   . CYS A 1 113 ? 0.64466   -16.23644 -22.82131 1.000 18.03080 ? 690  CYS A CB   1 
ATOM   602  S SG   . CYS A 1 113 ? -0.29959  -16.81075 -21.37110 1.000 21.23867 ? 690  CYS A SG   1 
ATOM   603  N N    . PRO A 1 114 ? 0.74477   -13.23530 -22.21870 1.000 25.56022 ? 691  PRO A N    1 
ATOM   604  C CA   . PRO A 1 114 ? 0.19425   -12.13020 -21.43253 1.000 26.14683 ? 691  PRO A CA   1 
ATOM   605  C C    . PRO A 1 114 ? -0.90599  -12.62183 -20.50768 1.000 28.60136 ? 691  PRO A C    1 
ATOM   606  O O    . PRO A 1 114 ? -1.60485  -13.59902 -20.79280 1.000 24.82214 ? 691  PRO A O    1 
ATOM   607  C CB   . PRO A 1 114 ? -0.35259  -11.17193 -22.49873 1.000 27.03788 ? 691  PRO A CB   1 
ATOM   608  C CG   . PRO A 1 114 ? 0.40394   -11.53601 -23.75563 1.000 28.66647 ? 691  PRO A CG   1 
ATOM   609  C CD   . PRO A 1 114 ? 0.58775   -13.02440 -23.66649 1.000 26.96678 ? 691  PRO A CD   1 
ATOM   610  N N    . TRP A 1 115 ? -1.05823  -11.92944 -19.37976 1.000 28.35669 ? 692  TRP A N    1 
ATOM   611  C CA   . TRP A 1 115 ? -2.11234  -12.31529 -18.45308 1.000 31.36889 ? 692  TRP A CA   1 
ATOM   612  C C    . TRP A 1 115 ? -3.48559  -11.97453 -19.01501 1.000 31.38163 ? 692  TRP A C    1 
ATOM   613  O O    . TRP A 1 115 ? -4.43840  -12.73953 -18.83708 1.000 31.67871 ? 692  TRP A O    1 
ATOM   614  C CB   . TRP A 1 115 ? -1.90776  -11.64448 -17.09700 1.000 33.16566 ? 692  TRP A CB   1 
ATOM   615  C CG   . TRP A 1 115 ? -2.87217  -12.14659 -16.07727 1.000 33.82829 ? 692  TRP A CG   1 
ATOM   616  C CD1  . TRP A 1 115 ? -3.99073  -11.51301 -15.61545 1.000 38.07451 ? 692  TRP A CD1  1 
ATOM   617  C CD2  . TRP A 1 115 ? -2.81854  -13.40852 -15.40925 1.000 31.89766 ? 692  TRP A CD2  1 
ATOM   618  N NE1  . TRP A 1 115 ? -4.62919  -12.30275 -14.68701 1.000 38.89682 ? 692  TRP A NE1  1 
ATOM   619  C CE2  . TRP A 1 115 ? -3.93189  -13.47565 -14.55060 1.000 35.08001 ? 692  TRP A CE2  1 
ATOM   620  C CE3  . TRP A 1 115 ? -1.93056  -14.49141 -15.45350 1.000 30.52853 ? 692  TRP A CE3  1 
ATOM   621  C CZ2  . TRP A 1 115 ? -4.17978  -14.57759 -13.73923 1.000 36.87446 ? 692  TRP A CZ2  1 
ATOM   622  C CZ3  . TRP A 1 115 ? -2.17956  -15.58379 -14.65047 1.000 32.46892 ? 692  TRP A CZ3  1 
ATOM   623  C CH2  . TRP A 1 115 ? -3.29585  -15.62108 -13.80525 1.000 33.36681 ? 692  TRP A CH2  1 
ATOM   624  N N    . VAL A 1 116 ? -3.60303  -10.84375 -19.71104 1.000 33.18937 ? 693  VAL A N    1 
ATOM   625  C CA   . VAL A 1 116 ? -4.87556  -10.35412 -20.23742 1.000 34.62728 ? 693  VAL A CA   1 
ATOM   626  C C    . VAL A 1 116 ? -4.81112  -10.36850 -21.76020 1.000 32.44479 ? 693  VAL A C    1 
ATOM   627  O O    . VAL A 1 116 ? -3.92179  -9.74566  -22.35278 1.000 36.24749 ? 693  VAL A O    1 
ATOM   628  C CB   . VAL A 1 116 ? -5.19053  -8.94205  -19.71983 1.000 37.18503 ? 693  VAL A CB   1 
ATOM   629  C CG1  . VAL A 1 116 ? -6.57606  -8.49483  -20.17876 1.000 36.28839 ? 693  VAL A CG1  1 
ATOM   630  C CG2  . VAL A 1 116 ? -5.08280  -8.89518  -18.20023 1.000 34.91911 ? 693  VAL A CG2  1 
ATOM   631  N N    . VAL A 1 117 ? -5.76055  -11.06189 -22.39322 1.000 30.23666 ? 694  VAL A N    1 
ATOM   632  C CA   . VAL A 1 117 ? -5.86289  -11.03300 -23.84844 1.000 29.71750 ? 694  VAL A CA   1 
ATOM   633  C C    . VAL A 1 117 ? -6.35780  -9.66413  -24.28567 1.000 31.03232 ? 694  VAL A C    1 
ATOM   634  O O    . VAL A 1 117 ? -7.31713  -9.12085  -23.71694 1.000 32.71044 ? 694  VAL A O    1 
ATOM   635  C CB   . VAL A 1 117 ? -6.80258  -12.13606 -24.36238 1.000 30.09342 ? 694  VAL A CB   1 
ATOM   636  C CG1  . VAL A 1 117 ? -6.95387  -12.02635 -25.87285 1.000 30.07188 ? 694  VAL A CG1  1 
ATOM   637  C CG2  . VAL A 1 117 ? -6.27481  -13.51234 -24.00694 1.000 30.88003 ? 694  VAL A CG2  1 
ATOM   638  N N    . THR A 1 118 ? -5.70724  -9.09329  -25.29557 1.000 30.53038 ? 695  THR A N    1 
ATOM   639  C CA   . THR A 1 118 ? -6.10168  -7.81287  -25.86254 1.000 30.45110 ? 695  THR A CA   1 
ATOM   640  C C    . THR A 1 118 ? -6.47201  -7.97074  -27.33147 1.000 28.85479 ? 695  THR A C    1 
ATOM   641  O O    . THR A 1 118 ? -6.07866  -8.94637  -27.98165 1.000 27.35455 ? 695  THR A O    1 
ATOM   642  C CB   . THR A 1 118 ? -4.96414  -6.78884  -25.75397 1.000 33.14302 ? 695  THR A CB   1 
ATOM   643  O OG1  . THR A 1 118 ? -3.87615  -7.23113  -26.57458 1.000 31.51771 ? 695  THR A OG1  1 
ATOM   644  C CG2  . THR A 1 118 ? -4.48788  -6.67887  -24.31801 1.000 32.35411 ? 695  THR A CG2  1 
ATOM   645  N N    . PRO A 1 119 ? -7.22024  -7.01627  -27.88947 1.000 29.06643 ? 696  PRO A N    1 
ATOM   646  C CA   . PRO A 1 119 ? -7.43984  -7.03260  -29.34498 1.000 32.79908 ? 696  PRO A CA   1 
ATOM   647  C C    . PRO A 1 119 ? -6.14571  -6.97936  -30.13242 1.000 31.54540 ? 696  PRO A C    1 
ATOM   648  O O    . PRO A 1 119 ? -6.03003  -7.63392  -31.17559 1.000 33.10479 ? 696  PRO A O    1 
ATOM   649  C CB   . PRO A 1 119 ? -8.29740  -5.77830  -29.58300 1.000 37.50828 ? 696  PRO A CB   1 
ATOM   650  C CG   . PRO A 1 119 ? -9.01020  -5.56914  -28.29754 1.000 36.51034 ? 696  PRO A CG   1 
ATOM   651  C CD   . PRO A 1 119 ? -8.04076  -5.99724  -27.21594 1.000 33.53368 ? 696  PRO A CD   1 
ATOM   652  N N    . GLU A 1 120 ? -5.16665  -6.20273  -29.66128 1.000 31.74601 ? 697  GLU A N    1 
ATOM   653  C CA   . GLU A 1 120 ? -3.88792  -6.11642  -30.35835 1.000 32.32193 ? 697  GLU A CA   1 
ATOM   654  C C    . GLU A 1 120 ? -3.18344  -7.46423  -30.38615 1.000 32.11451 ? 697  GLU A C    1 
ATOM   655  O O    . GLU A 1 120 ? -2.49812  -7.79030  -31.36535 1.000 32.16950 ? 697  GLU A O    1 
ATOM   656  C CB   . GLU A 1 120 ? -2.99331  -5.06796  -29.69602 1.000 32.61249 ? 697  GLU A CB   1 
ATOM   657  C CG   . GLU A 1 120 ? -3.44413  -3.63467  -29.89788 1.000 37.86892 ? 697  GLU A CG   1 
ATOM   658  C CD   . GLU A 1 120 ? -4.71548  -3.31142  -29.14349 1.000 44.19107 ? 697  GLU A CD   1 
ATOM   659  O OE1  . GLU A 1 120 ? -5.02136  -4.01532  -28.15380 1.000 38.49778 ? 697  GLU A OE1  1 
ATOM   660  O OE2  . GLU A 1 120 ? -5.41123  -2.35053  -29.54356 1.000 49.64371 ? 697  GLU A OE2  1 
ATOM   661  N N    . PHE A 1 121 ? -3.32633  -8.24434  -29.31334 1.000 26.88535 ? 698  PHE A N    1 
ATOM   662  C CA   . PHE A 1 121 ? -2.76102  -9.59169  -29.27873 1.000 26.38832 ? 698  PHE A CA   1 
ATOM   663  C C    . PHE A 1 121 ? -3.37367  -10.47008 -30.36305 1.000 26.63490 ? 698  PHE A C    1 
ATOM   664  O O    . PHE A 1 121 ? -2.66738  -11.23493 -31.03284 1.000 24.85044 ? 698  PHE A O    1 
ATOM   665  C CB   . PHE A 1 121 ? -2.99162  -10.20513 -27.89282 1.000 26.04607 ? 698  PHE A CB   1 
ATOM   666  C CG   . PHE A 1 121 ? -2.38010  -11.58298 -27.69829 1.000 24.79621 ? 698  PHE A CG   1 
ATOM   667  C CD1  . PHE A 1 121 ? -1.06246  -11.72160 -27.29329 1.000 25.58642 ? 698  PHE A CD1  1 
ATOM   668  C CD2  . PHE A 1 121 ? -3.14327  -12.73255 -27.86867 1.000 26.20180 ? 698  PHE A CD2  1 
ATOM   669  C CE1  . PHE A 1 121 ? -0.50134  -12.97839 -27.08856 1.000 26.04304 ? 698  PHE A CE1  1 
ATOM   670  C CE2  . PHE A 1 121 ? -2.58314  -13.99837 -27.66331 1.000 23.04788 ? 698  PHE A CE2  1 
ATOM   671  C CZ   . PHE A 1 121 ? -1.27030  -14.11957 -27.28088 1.000 25.09400 ? 698  PHE A CZ   1 
ATOM   672  N N    . LEU A 1 122 ? -4.69324  -10.39475 -30.54372 1.000 25.08460 ? 699  LEU A N    1 
ATOM   673  C CA   . LEU A 1 122 ? -5.32215  -11.24337 -31.54841 1.000 25.27554 ? 699  LEU A CA   1 
ATOM   674  C C    . LEU A 1 122 ? -4.80781  -10.90286 -32.93917 1.000 27.28391 ? 699  LEU A C    1 
ATOM   675  O O    . LEU A 1 122 ? -4.58674  -11.79671 -33.76272 1.000 25.14492 ? 699  LEU A O    1 
ATOM   676  C CB   . LEU A 1 122 ? -6.84352  -11.10210 -31.49121 1.000 27.47205 ? 699  LEU A CB   1 
ATOM   677  C CG   . LEU A 1 122 ? -7.50504  -11.42790 -30.15372 1.000 25.96848 ? 699  LEU A CG   1 
ATOM   678  C CD1  . LEU A 1 122 ? -9.01273  -11.27078 -30.30083 1.000 31.29968 ? 699  LEU A CD1  1 
ATOM   679  C CD2  . LEU A 1 122 ? -7.16354  -12.82741 -29.66453 1.000 25.94054 ? 699  LEU A CD2  1 
ATOM   680  N N    . GLU A 1 123 ? -4.59964  -9.61063  -33.21863 1.000 28.26094 ? 700  GLU A N    1 
ATOM   681  C CA   . GLU A 1 123 ? -4.06389  -9.23264  -34.52057 1.000 29.15209 ? 700  GLU A CA   1 
ATOM   682  C C    . GLU A 1 123 ? -2.61798  -9.68010  -34.66530 1.000 32.96506 ? 700  GLU A C    1 
ATOM   683  O O    . GLU A 1 123 ? -2.21773  -10.17653 -35.72725 1.000 33.63397 ? 700  GLU A O    1 
ATOM   684  C CB   . GLU A 1 123 ? -4.18054  -7.71848  -34.73173 1.000 32.41919 ? 700  GLU A CB   1 
ATOM   685  C CG   . GLU A 1 123 ? -4.48628  -7.33703  -36.16822 1.000 41.85971 ? 700  GLU A CG   1 
ATOM   686  C CD   . GLU A 1 123 ? -5.78110  -7.95687  -36.67379 1.000 48.10355 ? 700  GLU A CD   1 
ATOM   687  O OE1  . GLU A 1 123 ? -6.80305  -7.89115  -35.95665 1.000 50.78771 ? 700  GLU A OE1  1 
ATOM   688  O OE2  . GLU A 1 123 ? -5.77679  -8.52291  -37.78771 1.000 56.39088 ? 700  GLU A OE2  1 
ATOM   689  N N    . LYS A 1 124 ? -1.82365  -9.52699  -33.60215 1.000 29.75629 ? 701  LYS A N    1 
ATOM   690  C CA   . LYS A 1 124 ? -0.40253  -9.85237  -33.68162 1.000 31.21816 ? 701  LYS A CA   1 
ATOM   691  C C    . LYS A 1 124 ? -0.18492  -11.30815 -34.08193 1.000 29.78575 ? 701  LYS A C    1 
ATOM   692  O O    . LYS A 1 124 ? 0.64729   -11.60228 -34.94849 1.000 32.38850 ? 701  LYS A O    1 
ATOM   693  C CB   . LYS A 1 124 ? 0.26859   -9.54051  -32.34030 1.000 32.72937 ? 701  LYS A CB   1 
ATOM   694  C CG   . LYS A 1 124 ? 1.69875   -10.03734 -32.19195 1.000 32.39378 ? 701  LYS A CG   1 
ATOM   695  C CD   . LYS A 1 124 ? 2.34002   -9.43634  -30.94236 1.000 34.07559 ? 701  LYS A CD   1 
ATOM   696  C CE   . LYS A 1 124 ? 3.74493   -9.97547  -30.71436 1.000 34.40046 ? 701  LYS A CE   1 
ATOM   697  N NZ   . LYS A 1 124 ? 4.40132   -9.36085  -29.52689 1.000 35.77689 ? 701  LYS A NZ   1 
ATOM   698  N N    . TYR A 1 125 ? -0.93702  -12.23097 -33.48369 1.000 27.12617 ? 702  TYR A N    1 
ATOM   699  C CA   . TYR A 1 125 ? -0.76117  -13.65706 -33.71534 1.000 27.56085 ? 702  TYR A CA   1 
ATOM   700  C C    . TYR A 1 125 ? -1.79482  -14.23358 -34.68681 1.000 27.24435 ? 702  TYR A C    1 
ATOM   701  O O    . TYR A 1 125 ? -1.83907  -15.45054 -34.87999 1.000 26.07511 ? 702  TYR A O    1 
ATOM   702  C CB   . TYR A 1 125 ? -0.78229  -14.40992 -32.37518 1.000 25.81478 ? 702  TYR A CB   1 
ATOM   703  C CG   . TYR A 1 125 ? 0.38998   -14.05169 -31.47547 1.000 27.11257 ? 702  TYR A CG   1 
ATOM   704  C CD1  . TYR A 1 125 ? 1.62601   -14.67757 -31.62434 1.000 26.70788 ? 702  TYR A CD1  1 
ATOM   705  C CD2  . TYR A 1 125 ? 0.26884   -13.07783 -30.49201 1.000 25.78373 ? 702  TYR A CD2  1 
ATOM   706  C CE1  . TYR A 1 125 ? 2.69736   -14.35089 -30.81342 1.000 28.27980 ? 702  TYR A CE1  1 
ATOM   707  C CE2  . TYR A 1 125 ? 1.33828   -12.74363 -29.67407 1.000 28.66827 ? 702  TYR A CE2  1 
ATOM   708  C CZ   . TYR A 1 125 ? 2.55074   -13.38735 -29.84254 1.000 28.26455 ? 702  TYR A CZ   1 
ATOM   709  O OH   . TYR A 1 125 ? 3.61120   -13.05700 -29.03659 1.000 31.50691 ? 702  TYR A OH   1 
ATOM   710  N N    . LYS A 1 126 ? -2.59889  -13.38080 -35.32949 1.000 26.08947 ? 703  LYS A N    1 
ATOM   711  C CA   . LYS A 1 126 ? -3.58060  -13.81065 -36.32670 1.000 27.07345 ? 703  LYS A CA   1 
ATOM   712  C C    . LYS A 1 126 ? -4.53447  -14.84759 -35.74153 1.000 24.54255 ? 703  LYS A C    1 
ATOM   713  O O    . LYS A 1 126 ? -4.87566  -15.84572 -36.38406 1.000 24.06351 ? 703  LYS A O    1 
ATOM   714  C CB   . LYS A 1 126 ? -2.89562  -14.33915 -37.59008 1.000 28.62277 ? 703  LYS A CB   1 
ATOM   715  C CG   . LYS A 1 126 ? -1.96327  -13.32139 -38.23496 1.000 36.36107 ? 703  LYS A CG   1 
ATOM   716  C CD   . LYS A 1 126 ? -2.22336  -13.18516 -39.72434 1.000 43.72908 ? 703  LYS A CD   1 
ATOM   717  C CE   . LYS A 1 126 ? -1.30525  -12.14509 -40.33905 1.000 51.33804 ? 703  LYS A CE   1 
ATOM   718  N NZ   . LYS A 1 126 ? 0.12476   -12.44780 -40.04508 1.000 55.95016 ? 703  LYS A NZ   1 
ATOM   719  N N    . ILE A 1 127 ? -4.97521  -14.59718 -34.51361 1.000 20.53002 ? 704  ILE A N    1 
ATOM   720  C CA   . ILE A 1 127 ? -5.87122  -15.50908 -33.80605 1.000 20.53376 ? 704  ILE A CA   1 
ATOM   721  C C    . ILE A 1 127 ? -7.30854  -15.24831 -34.22994 1.000 20.29971 ? 704  ILE A C    1 
ATOM   722  O O    . ILE A 1 127 ? -7.76943  -14.10227 -34.20809 1.000 23.99789 ? 704  ILE A O    1 
ATOM   723  C CB   . ILE A 1 127 ? -5.72176  -15.32949 -32.29240 1.000 18.04448 ? 704  ILE A CB   1 
ATOM   724  C CG1  . ILE A 1 127 ? -4.32864  -15.77282 -31.85575 1.000 21.43805 ? 704  ILE A CG1  1 
ATOM   725  C CG2  . ILE A 1 127 ? -6.80592  -16.11686 -31.54893 1.000 19.29393 ? 704  ILE A CG2  1 
ATOM   726  C CD1  . ILE A 1 127 ? -3.92444  -15.21115 -30.51632 1.000 22.23054 ? 704  ILE A CD1  1 
ATOM   727  N N    . ASP A 1 128 ? -8.03352  -16.31887 -34.58381 1.000 17.91665 ? 705  ASP A N    1 
ATOM   728  C CA   . ASP A 1 128 ? -9.43985  -16.19950 -34.96473 1.000 18.84728 ? 705  ASP A CA   1 
ATOM   729  C C    . ASP A 1 128 ? -10.40460 -16.32124 -33.77533 1.000 20.12455 ? 705  ASP A C    1 
ATOM   730  O O    . ASP A 1 128 ? -11.41796 -15.60613 -33.72586 1.000 20.80641 ? 705  ASP A O    1 
ATOM   731  C CB   . ASP A 1 128 ? -9.76298  -17.25253 -36.03087 1.000 20.56829 ? 705  ASP A CB   1 
ATOM   732  C CG   . ASP A 1 128 ? -8.98507  -17.01943 -37.32462 1.000 26.00983 ? 705  ASP A CG   1 
ATOM   733  O OD1  . ASP A 1 128 ? -9.13720  -15.92218 -37.90751 1.000 27.65115 ? 705  ASP A OD1  1 
ATOM   734  O OD2  . ASP A 1 128 ? -8.21111  -17.90942 -37.75393 1.000 24.02429 ? 705  ASP A OD2  1 
ATOM   735  N N    . TYR A 1 129 ? -10.12715 -17.22381 -32.82821 1.000 19.97302 ? 706  TYR A N    1 
ATOM   736  C CA   . TYR A 1 129 ? -10.98621 -17.45981 -31.66993 1.000 19.00213 ? 706  TYR A CA   1 
ATOM   737  C C    . TYR A 1 129 ? -10.14328 -17.70881 -30.43434 1.000 19.02266 ? 706  TYR A C    1 
ATOM   738  O O    . TYR A 1 129 ? -9.08642  -18.34256 -30.50609 1.000 17.58461 ? 706  TYR A O    1 
ATOM   739  C CB   . TYR A 1 129 ? -11.91890 -18.68018 -31.85124 1.000 18.63560 ? 706  TYR A CB   1 
ATOM   740  C CG   . TYR A 1 129 ? -12.78944 -18.56444 -33.07102 1.000 19.83469 ? 706  TYR A CG   1 
ATOM   741  C CD1  . TYR A 1 129 ? -12.34012 -19.00568 -34.30109 1.000 18.35454 ? 706  TYR A CD1  1 
ATOM   742  C CD2  . TYR A 1 129 ? -14.03946 -17.97579 -33.00314 1.000 18.34618 ? 706  TYR A CD2  1 
ATOM   743  C CE1  . TYR A 1 129 ? -13.09395 -18.87230 -35.42277 1.000 21.30224 ? 706  TYR A CE1  1 
ATOM   744  C CE2  . TYR A 1 129 ? -14.82213 -17.84772 -34.13809 1.000 21.00349 ? 706  TYR A CE2  1 
ATOM   745  C CZ   . TYR A 1 129 ? -14.34600 -18.29941 -35.34485 1.000 18.90659 ? 706  TYR A CZ   1 
ATOM   746  O OH   . TYR A 1 129 ? -15.08068 -18.18142 -36.49110 1.000 21.97641 ? 706  TYR A OH   1 
ATOM   747  N N    . VAL A 1 130 ? -10.63521 -17.22738 -29.30228 1.000 20.90765 ? 707  VAL A N    1 
ATOM   748  C CA   . VAL A 1 130 ? -10.08778 -17.55037 -27.99147 1.000 18.17151 ? 707  VAL A CA   1 
ATOM   749  C C    . VAL A 1 130 ? -10.98189 -18.60756 -27.36276 1.000 20.36095 ? 707  VAL A C    1 
ATOM   750  O O    . VAL A 1 130 ? -12.20884 -18.44225 -27.31307 1.000 20.90482 ? 707  VAL A O    1 
ATOM   751  C CB   . VAL A 1 130 ? -10.01624 -16.30298 -27.09611 1.000 18.04835 ? 707  VAL A CB   1 
ATOM   752  C CG1  . VAL A 1 130 ? -9.60814  -16.70334 -25.68179 1.000 23.46910 ? 707  VAL A CG1  1 
ATOM   753  C CG2  . VAL A 1 130 ? -9.05384  -15.26869 -27.68245 1.000 21.79652 ? 707  VAL A CG2  1 
ATOM   754  N N    . ALA A 1 131 ? -10.37681 -19.69625 -26.90234 1.000 19.33199 ? 708  ALA A N    1 
ATOM   755  C CA   . ALA A 1 131 ? -11.09072 -20.81161 -26.30069 1.000 20.79110 ? 708  ALA A CA   1 
ATOM   756  C C    . ALA A 1 131 ? -10.76994 -20.85214 -24.81910 1.000 25.56360 ? 708  ALA A C    1 
ATOM   757  O O    . ALA A 1 131 ? -9.59348  -20.90668 -24.43994 1.000 26.92869 ? 708  ALA A O    1 
ATOM   758  C CB   . ALA A 1 131 ? -10.69376 -22.13464 -26.95878 1.000 20.79039 ? 708  ALA A CB   1 
ATOM   759  N N    . HIS A 1 132 ? -11.80956 -20.84475 -23.98831 1.000 21.68450 ? 709  HIS A N    1 
ATOM   760  C CA   . HIS A 1 132 ? -11.60526 -20.77798 -22.55144 1.000 29.66843 ? 709  HIS A CA   1 
ATOM   761  C C    . HIS A 1 132 ? -12.86585 -21.27195 -21.85833 1.000 31.33114 ? 709  HIS A C    1 
ATOM   762  O O    . HIS A 1 132 ? -13.95851 -21.22831 -22.42917 1.000 27.45426 ? 709  HIS A O    1 
ATOM   763  C CB   . HIS A 1 132 ? -11.26335 -19.34581 -22.11311 1.000 30.62102 ? 709  HIS A CB   1 
ATOM   764  C CG   . HIS A 1 132 ? -10.56387 -19.26994 -20.79352 1.000 34.36148 ? 709  HIS A CG   1 
ATOM   765  N ND1  . HIS A 1 132 ? -11.23755 -19.28250 -19.59035 1.000 34.66056 ? 709  HIS A ND1  1 
ATOM   766  C CD2  . HIS A 1 132 ? -9.24765  -19.18434 -20.48772 1.000 33.87726 ? 709  HIS A CD2  1 
ATOM   767  C CE1  . HIS A 1 132 ? -10.36603 -19.20993 -18.59983 1.000 36.47375 ? 709  HIS A CE1  1 
ATOM   768  N NE2  . HIS A 1 132 ? -9.15174  -19.15009 -19.11745 1.000 38.32852 ? 709  HIS A NE2  1 
ATOM   769  N N    . ASP A 1 133 ? -12.70805 -21.75579 -20.63166 1.000 31.20134 ? 710  ASP A N    1 
ATOM   770  C CA   . ASP A 1 133 ? -13.89103 -22.03127 -19.83422 1.000 33.88669 ? 710  ASP A CA   1 
ATOM   771  C C    . ASP A 1 133 ? -14.64346 -20.72415 -19.60561 1.000 36.20764 ? 710  ASP A C    1 
ATOM   772  O O    . ASP A 1 133 ? -14.05310 -19.64262 -19.56517 1.000 37.20995 ? 710  ASP A O    1 
ATOM   773  C CB   . ASP A 1 133 ? -13.51164 -22.68896 -18.51037 1.000 40.79231 ? 710  ASP A CB   1 
ATOM   774  C CG   . ASP A 1 133 ? -12.47172 -21.90274 -17.75277 1.000 46.03921 ? 710  ASP A CG   1 
ATOM   775  O OD1  . ASP A 1 133 ? -12.74125 -20.72729 -17.42748 1.000 48.89693 ? 710  ASP A OD1  1 
ATOM   776  O OD2  . ASP A 1 133 ? -11.38507 -22.45542 -17.48295 1.000 52.00321 ? 710  ASP A OD2  1 
ATOM   777  N N    . ASP A 1 134 ? -15.96032 -20.82277 -19.48290 1.000 37.43197 ? 711  ASP A N    1 
ATOM   778  C CA   . ASP A 1 134 ? -16.80858 -19.63195 -19.46492 1.000 41.08526 ? 711  ASP A CA   1 
ATOM   779  C C    . ASP A 1 134 ? -17.33609 -19.37622 -18.06095 1.000 44.44017 ? 711  ASP A C    1 
ATOM   780  O O    . ASP A 1 134 ? -17.84411 -20.28657 -17.41766 1.000 43.69788 ? 711  ASP A O    1 
ATOM   781  C CB   . ASP A 1 134 ? -17.97117 -19.79656 -20.45111 1.000 41.66843 ? 711  ASP A CB   1 
ATOM   782  C CG   . ASP A 1 134 ? -18.65550 -18.47851 -20.79803 1.000 43.01250 ? 711  ASP A CG   1 
ATOM   783  O OD1  . ASP A 1 134 ? -18.30497 -17.42903 -20.21447 1.000 43.54419 ? 711  ASP A OD1  1 
ATOM   784  O OD2  . ASP A 1 134 ? -19.55600 -18.50495 -21.66693 1.000 41.18111 ? 711  ASP A OD2  1 
ATOM   785  N N    . ASP A 1 144 ? -17.46902 -10.11300 -16.48715 1.000 48.90084 ? 739  ASP A N    1 
ATOM   786  C CA   . ASP A 1 144 ? -17.15705 -11.06004 -17.54718 1.000 43.61169 ? 739  ASP A CA   1 
ATOM   787  C C    . ASP A 1 144 ? -15.99704 -10.53723 -18.39058 1.000 44.69640 ? 739  ASP A C    1 
ATOM   788  O O    . ASP A 1 144 ? -16.18908 -9.72291  -19.29413 1.000 41.38536 ? 739  ASP A O    1 
ATOM   789  C CB   . ASP A 1 144 ? -18.39373 -11.31194 -18.41633 1.000 46.96123 ? 739  ASP A CB   1 
ATOM   790  C CG   . ASP A 1 144 ? -18.16857 -12.38443 -19.47953 1.000 45.33965 ? 739  ASP A CG   1 
ATOM   791  O OD1  . ASP A 1 144 ? -17.05863 -12.96362 -19.55195 1.000 44.71281 ? 739  ASP A OD1  1 
ATOM   792  O OD2  . ASP A 1 144 ? -19.11580 -12.64852 -20.25627 1.000 45.99994 ? 739  ASP A OD2  1 
ATOM   793  N N    . ILE A 1 145 ? -14.78204 -11.00678 -18.09409 1.000 41.64283 ? 740  ILE A N    1 
ATOM   794  C CA   . ILE A 1 145 ? -13.61255 -10.53481 -18.82573 1.000 42.40795 ? 740  ILE A CA   1 
ATOM   795  C C    . ILE A 1 145 ? -13.63201 -10.95979 -20.28338 1.000 41.80594 ? 740  ILE A C    1 
ATOM   796  O O    . ILE A 1 145 ? -12.82737 -10.46416 -21.08167 1.000 40.94466 ? 740  ILE A O    1 
ATOM   797  C CB   . ILE A 1 145 ? -12.31392 -11.02379 -18.15168 1.000 42.39501 ? 740  ILE A CB   1 
ATOM   798  C CG1  . ILE A 1 145 ? -12.19185 -12.54235 -18.25152 1.000 44.74163 ? 740  ILE A CG1  1 
ATOM   799  C CG2  . ILE A 1 145 ? -12.27781 -10.59226 -16.70031 1.000 44.69306 ? 740  ILE A CG2  1 
ATOM   800  C CD1  . ILE A 1 145 ? -10.90187 -13.08307 -17.65789 1.000 46.92106 ? 740  ILE A CD1  1 
ATOM   801  N N    . TYR A 1 146 ? -14.54115 -11.85556 -20.65617 1.000 40.11895 ? 741  TYR A N    1 
ATOM   802  C CA   . TYR A 1 146 ? -14.62955 -12.34445 -22.01990 1.000 35.35996 ? 741  TYR A CA   1 
ATOM   803  C C    . TYR A 1 146 ? -15.82820 -11.78069 -22.77602 1.000 32.20889 ? 741  TYR A C    1 
ATOM   804  O O    . TYR A 1 146 ? -16.08036 -12.20136 -23.91162 1.000 30.25934 ? 741  TYR A O    1 
ATOM   805  C CB   . TYR A 1 146 ? -14.65606 -13.87343 -22.01047 1.000 39.68099 ? 741  TYR A CB   1 
ATOM   806  C CG   . TYR A 1 146 ? -13.38341 -14.45478 -21.43346 1.000 42.53855 ? 741  TYR A CG   1 
ATOM   807  C CD1  . TYR A 1 146 ? -12.14418 -14.06553 -21.92679 1.000 42.62333 ? 741  TYR A CD1  1 
ATOM   808  C CD2  . TYR A 1 146 ? -13.41462 -15.35321 -20.37091 1.000 41.55139 ? 741  TYR A CD2  1 
ATOM   809  C CE1  . TYR A 1 146 ? -10.96999 -14.57370 -21.40306 1.000 42.93684 ? 741  TYR A CE1  1 
ATOM   810  C CE2  . TYR A 1 146 ? -12.23945 -15.86362 -19.83285 1.000 41.71420 ? 741  TYR A CE2  1 
ATOM   811  C CZ   . TYR A 1 146 ? -11.02080 -15.46905 -20.35613 1.000 43.29544 ? 741  TYR A CZ   1 
ATOM   812  O OH   . TYR A 1 146 ? -9.83712  -15.96195 -19.84835 1.000 39.37723 ? 741  TYR A OH   1 
ATOM   813  N N    . ALA A 1 147 ? -16.55715 -10.82697 -22.18913 1.000 29.33588 ? 742  ALA A N    1 
ATOM   814  C CA   . ALA A 1 147 ? -17.69508 -10.24572 -22.89789 1.000 31.22401 ? 742  ALA A CA   1 
ATOM   815  C C    . ALA A 1 147 ? -17.25694 -9.57679  -24.19820 1.000 29.13467 ? 742  ALA A C    1 
ATOM   816  O O    . ALA A 1 147 ? -17.95507 -9.66753  -25.21740 1.000 25.43617 ? 742  ALA A O    1 
ATOM   817  C CB   . ALA A 1 147 ? -18.43652 -9.25582  -22.00281 1.000 32.66838 ? 742  ALA A CB   1 
ATOM   818  N N    . TRP A 1 148 ? -16.09602 -8.91462  -24.20004 1.000 25.64559 ? 743  TRP A N    1 
ATOM   819  C CA   . TRP A 1 148 ? -15.66256 -8.29645  -25.45054 1.000 24.03405 ? 743  TRP A CA   1 
ATOM   820  C C    . TRP A 1 148 ? -15.37828 -9.33479  -26.53177 1.000 21.82067 ? 743  TRP A C    1 
ATOM   821  O O    . TRP A 1 148 ? -15.60856 -9.06418  -27.71588 1.000 21.60658 ? 743  TRP A O    1 
ATOM   822  C CB   . TRP A 1 148 ? -14.44299 -7.39446  -25.22384 1.000 27.39470 ? 743  TRP A CB   1 
ATOM   823  C CG   . TRP A 1 148 ? -13.13714 -8.08825  -24.94095 1.000 29.99004 ? 743  TRP A CG   1 
ATOM   824  C CD1  . TRP A 1 148 ? -12.65922 -8.48148  -23.72096 1.000 33.80595 ? 743  TRP A CD1  1 
ATOM   825  C CD2  . TRP A 1 148 ? -12.11759 -8.41554  -25.89526 1.000 28.46327 ? 743  TRP A CD2  1 
ATOM   826  N NE1  . TRP A 1 148 ? -11.40922 -9.05360  -23.86071 1.000 32.33895 ? 743  TRP A NE1  1 
ATOM   827  C CE2  . TRP A 1 148 ? -11.05650 -9.02482  -25.18493 1.000 30.84512 ? 743  TRP A CE2  1 
ATOM   828  C CE3  . TRP A 1 148 ? -12.00615 -8.26749  -27.28321 1.000 26.16837 ? 743  TRP A CE3  1 
ATOM   829  C CZ2  . TRP A 1 148 ? -9.89340  -9.47433  -25.81620 1.000 31.02018 ? 743  TRP A CZ2  1 
ATOM   830  C CZ3  . TRP A 1 148 ? -10.85279 -8.72193  -27.90953 1.000 31.71565 ? 743  TRP A CZ3  1 
ATOM   831  C CH2  . TRP A 1 148 ? -9.81231  -9.31829  -27.17462 1.000 30.66940 ? 743  TRP A CH2  1 
ATOM   832  N N    . LEU A 1 149 ? -14.87872 -10.51750 -26.16176 1.000 21.74871 ? 744  LEU A N    1 
ATOM   833  C CA   . LEU A 1 149 ? -14.66504 -11.55463 -27.16533 1.000 21.68412 ? 744  LEU A CA   1 
ATOM   834  C C    . LEU A 1 149 ? -15.98979 -12.08750 -27.70105 1.000 20.42031 ? 744  LEU A C    1 
ATOM   835  O O    . LEU A 1 149 ? -16.13254 -12.29826 -28.91192 1.000 20.24078 ? 744  LEU A O    1 
ATOM   836  C CB   . LEU A 1 149 ? -13.81985 -12.68993 -26.58343 1.000 22.19630 ? 744  LEU A CB   1 
ATOM   837  C CG   . LEU A 1 149 ? -12.34929 -12.27184 -26.43518 1.000 26.16040 ? 744  LEU A CG   1 
ATOM   838  C CD1  . LEU A 1 149 ? -11.63750 -13.15000 -25.42474 1.000 27.84780 ? 744  LEU A CD1  1 
ATOM   839  C CD2  . LEU A 1 149 ? -11.64292 -12.32883 -27.77849 1.000 24.62755 ? 744  LEU A CD2  1 
ATOM   840  N N    . LYS A 1 150 ? -16.95857 -12.32415 -26.81589 1.000 19.84124 ? 745  LYS A N    1 
ATOM   841  C CA   . LYS A 1 150 ? -18.28447 -12.76260 -27.25953 1.000 18.78350 ? 745  LYS A CA   1 
ATOM   842  C C    . LYS A 1 150 ? -18.92917 -11.72628 -28.16348 1.000 22.77253 ? 745  LYS A C    1 
ATOM   843  O O    . LYS A 1 150 ? -19.56781 -12.06982 -29.16706 1.000 22.21539 ? 745  LYS A O    1 
ATOM   844  C CB   . LYS A 1 150 ? -19.18103 -13.03026 -26.05353 1.000 23.39706 ? 745  LYS A CB   1 
ATOM   845  C CG   . LYS A 1 150 ? -18.72051 -14.20097 -25.19265 1.000 22.30395 ? 745  LYS A CG   1 
ATOM   846  C CD   . LYS A 1 150 ? -19.47217 -14.22258 -23.86636 1.000 29.86666 ? 745  LYS A CD   1 
ATOM   847  C CE   . LYS A 1 150 ? -18.90854 -15.29082 -22.93326 1.000 31.79930 ? 745  LYS A CE   1 
ATOM   848  N NZ   . LYS A 1 150 ? -19.48070 -15.17845 -21.55604 1.000 35.20516 ? 745  LYS A NZ   1 
ATOM   849  N N    . ARG A 1 151 ? -18.80429 -10.44937 -27.80307 1.000 21.24329 ? 746  ARG A N    1 
ATOM   850  C CA   . ARG A 1 151 ? -19.38225 -9.39843  -28.62930 1.000 22.16205 ? 746  ARG A CA   1 
ATOM   851  C C    . ARG A 1 151 ? -18.76588 -9.38767  -30.01870 1.000 22.72975 ? 746  ARG A C    1 
ATOM   852  O O    . ARG A 1 151 ? -19.44795 -9.04967  -30.99308 1.000 24.78244 ? 746  ARG A O    1 
ATOM   853  C CB   . ARG A 1 151 ? -19.21782 -8.03670  -27.94459 1.000 24.25257 ? 746  ARG A CB   1 
ATOM   854  C CG   . ARG A 1 151 ? -19.40243 -6.84565  -28.87892 1.000 30.31307 ? 746  ARG A CG   1 
ATOM   855  C CD   . ARG A 1 151 ? -20.40910 -5.83218  -28.38642 1.000 40.51716 ? 746  ARG A CD   1 
ATOM   856  N NE   . ARG A 1 151 ? -20.06559 -5.14929  -27.14004 1.000 42.67046 ? 746  ARG A NE   1 
ATOM   857  C CZ   . ARG A 1 151 ? -19.53738 -3.93192  -27.04277 1.000 45.17196 ? 746  ARG A CZ   1 
ATOM   858  N NH1  . ARG A 1 151 ? -19.08141 -3.27844  -28.10382 1.000 40.76278 ? 746  ARG A NH1  1 
ATOM   859  N NH2  . ARG A 1 151 ? -19.47947 -3.34506  -25.84937 1.000 46.71300 ? 746  ARG A NH2  1 
ATOM   860  N N    . ALA A 1 152 ? -17.48901 -9.77384  -30.13769 1.000 20.02731 ? 747  ALA A N    1 
ATOM   861  C CA   . ALA A 1 152 ? -16.79043 -9.76164  -31.41700 1.000 22.85709 ? 747  ALA A CA   1 
ATOM   862  C C    . ALA A 1 152 ? -16.96272 -11.06093 -32.19667 1.000 22.09646 ? 747  ALA A C    1 
ATOM   863  O O    . ALA A 1 152 ? -16.51723 -11.14115 -33.34953 1.000 21.87466 ? 747  ALA A O    1 
ATOM   864  C CB   . ALA A 1 152 ? -15.29204 -9.47580  -31.19737 1.000 22.78936 ? 747  ALA A CB   1 
ATOM   865  N N    . GLY A 1 153 ? -17.60853 -12.06361 -31.60586 1.000 18.28992 ? 748  GLY A N    1 
ATOM   866  C CA   . GLY A 1 153 ? -17.78082 -13.34356 -32.26502 1.000 18.23576 ? 748  GLY A CA   1 
ATOM   867  C C    . GLY A 1 153 ? -16.55196 -14.20684 -32.18070 1.000 17.96226 ? 748  GLY A C    1 
ATOM   868  O O    . GLY A 1 153 ? -16.42686 -15.17548 -32.93383 1.000 18.47087 ? 748  GLY A O    1 
ATOM   869  N N    . LYS A 1 154 ? -15.63467 -13.88061 -31.27832 1.000 19.77262 ? 749  LYS A N    1 
ATOM   870  C CA   . LYS A 1 154 ? -14.35294 -14.56626 -31.20899 1.000 19.66203 ? 749  LYS A CA   1 
ATOM   871  C C    . LYS A 1 154 ? -14.19734 -15.42671 -29.96244 1.000 20.57673 ? 749  LYS A C    1 
ATOM   872  O O    . LYS A 1 154 ? -13.08374 -15.89919 -29.69953 1.000 23.32518 ? 749  LYS A O    1 
ATOM   873  C CB   . LYS A 1 154 ? -13.21766 -13.54185 -31.27178 1.000 20.75387 ? 749  LYS A CB   1 
ATOM   874  C CG   . LYS A 1 154 ? -13.24533 -12.68545 -32.52077 1.000 21.04906 ? 749  LYS A CG   1 
ATOM   875  C CD   . LYS A 1 154 ? -12.06420 -11.71849 -32.52844 1.000 22.96584 ? 749  LYS A CD   1 
ATOM   876  C CE   . LYS A 1 154 ? -12.04304 -10.87502 -33.80132 1.000 27.04309 ? 749  LYS A CE   1 
ATOM   877  N NZ   . LYS A 1 154 ? -11.87007 -11.70338 -35.02979 1.000 29.75443 ? 749  LYS A NZ   1 
ATOM   878  N N    . PHE A 1 155 ? -15.26099 -15.65051 -29.18976 1.000 19.88331 ? 750  PHE A N    1 
ATOM   879  C CA   . PHE A 1 155 ? -15.16308 -16.47435 -27.99205 1.000 19.72902 ? 750  PHE A CA   1 
ATOM   880  C C    . PHE A 1 155 ? -15.71094 -17.87085 -28.25439 1.000 22.13278 ? 750  PHE A C    1 
ATOM   881  O O    . PHE A 1 155 ? -16.82767 -18.01493 -28.74809 1.000 21.47934 ? 750  PHE A O    1 
ATOM   882  C CB   . PHE A 1 155 ? -15.91829 -15.86283 -26.81359 1.000 20.17334 ? 750  PHE A CB   1 
ATOM   883  C CG   . PHE A 1 155 ? -15.69754 -16.60247 -25.54057 1.000 22.60118 ? 750  PHE A CG   1 
ATOM   884  C CD1  . PHE A 1 155 ? -14.44084 -16.62902 -24.96175 1.000 25.93922 ? 750  PHE A CD1  1 
ATOM   885  C CD2  . PHE A 1 155 ? -16.72335 -17.30782 -24.93857 1.000 25.06129 ? 750  PHE A CD2  1 
ATOM   886  C CE1  . PHE A 1 155 ? -14.21818 -17.33135 -23.78789 1.000 27.99445 ? 750  PHE A CE1  1 
ATOM   887  C CE2  . PHE A 1 155 ? -16.50295 -18.00695 -23.76819 1.000 29.86196 ? 750  PHE A CE2  1 
ATOM   888  C CZ   . PHE A 1 155 ? -15.24740 -18.01185 -23.19241 1.000 27.82971 ? 750  PHE A CZ   1 
ATOM   889  N N    . LYS A 1 156 ? -14.93931 -18.88716 -27.88489 1.000 19.17057 ? 751  LYS A N    1 
ATOM   890  C CA   . LYS A 1 156 ? -15.38684 -20.27698 -27.93736 1.000 20.15863 ? 751  LYS A CA   1 
ATOM   891  C C    . LYS A 1 156 ? -15.28144 -20.87551 -26.54086 1.000 23.58067 ? 751  LYS A C    1 
ATOM   892  O O    . LYS A 1 156 ? -14.18749 -20.94711 -25.97477 1.000 22.32492 ? 751  LYS A O    1 
ATOM   893  C CB   . LYS A 1 156 ? -14.54899 -21.08217 -28.92998 1.000 20.78850 ? 751  LYS A CB   1 
ATOM   894  C CG   . LYS A 1 156 ? -14.84150 -20.74825 -30.38785 1.000 23.41651 ? 751  LYS A CG   1 
ATOM   895  C CD   . LYS A 1 156 ? -16.13442 -21.42773 -30.82649 1.000 25.20665 ? 751  LYS A CD   1 
ATOM   896  C CE   . LYS A 1 156 ? -16.65337 -20.88029 -32.14362 1.000 25.58122 ? 751  LYS A CE   1 
ATOM   897  N NZ   . LYS A 1 156 ? -17.89366 -21.61548 -32.56165 1.000 21.54112 ? 751  LYS A NZ   1 
ATOM   898  N N    . ALA A 1 157 ? -16.40539 -21.32822 -25.99533 1.000 21.52593 ? 752  ALA A N    1 
ATOM   899  C CA   . ALA A 1 157 ? -16.39234 -21.91650 -24.66326 1.000 25.63168 ? 752  ALA A CA   1 
ATOM   900  C C    . ALA A 1 157 ? -15.87473 -23.35264 -24.70207 1.000 28.03350 ? 752  ALA A C    1 
ATOM   901  O O    . ALA A 1 157 ? -16.19981 -24.12154 -25.61410 1.000 26.30831 ? 752  ALA A O    1 
ATOM   902  C CB   . ALA A 1 157 ? -17.79566 -21.88242 -24.05566 1.000 28.07853 ? 752  ALA A CB   1 
ATOM   903  N N    . THR A 1 158 ? -15.04600 -23.70249 -23.71258 1.000 27.56869 ? 753  THR A N    1 
ATOM   904  C CA   . THR A 1 158 ? -14.63319 -25.07706 -23.46480 1.000 28.89600 ? 753  THR A CA   1 
ATOM   905  C C    . THR A 1 158 ? -14.95406 -25.40009 -22.01359 1.000 35.19916 ? 753  THR A C    1 
ATOM   906  O O    . THR A 1 158 ? -15.05540 -24.50103 -21.17409 1.000 36.23725 ? 753  THR A O    1 
ATOM   907  C CB   . THR A 1 158 ? -13.13552 -25.31796 -23.74390 1.000 30.39676 ? 753  THR A CB   1 
ATOM   908  O OG1  . THR A 1 158 ? -12.34511 -24.47667 -22.89999 1.000 30.40299 ? 753  THR A OG1  1 
ATOM   909  C CG2  . THR A 1 158 ? -12.79951 -25.02611 -25.20473 1.000 26.24716 ? 753  THR A CG2  1 
ATOM   910  N N    . GLN A 1 159 ? -15.12881 -26.68814 -21.72779 1.000 41.19713 ? 754  GLN A N    1 
ATOM   911  C CA   . GLN A 1 159 ? -15.64947 -27.14530 -20.44701 1.000 43.27617 ? 754  GLN A CA   1 
ATOM   912  C C    . GLN A 1 159 ? -14.56884 -27.82979 -19.62267 1.000 43.62707 ? 754  GLN A C    1 
ATOM   913  O O    . GLN A 1 159 ? -13.72375 -28.55023 -20.16074 1.000 42.40315 ? 754  GLN A O    1 
ATOM   914  C CB   . GLN A 1 159 ? -16.82163 -28.10416 -20.64773 1.000 44.51204 ? 754  GLN A CB   1 
ATOM   915  C CG   . GLN A 1 159 ? -18.11375 -27.41272 -21.01329 1.000 45.33240 ? 754  GLN A CG   1 
ATOM   916  C CD   . GLN A 1 159 ? -18.10670 -26.87140 -22.42840 1.000 43.29338 ? 754  GLN A CD   1 
ATOM   917  O OE1  . GLN A 1 159 ? -17.77035 -27.58233 -23.37334 1.000 42.37087 ? 754  GLN A OE1  1 
ATOM   918  N NE2  . GLN A 1 159 ? -18.48936 -25.60490 -22.58185 1.000 43.20109 ? 754  GLN A NE2  1 
ATOM   919  N N    . ARG A 1 160 ? -14.61246 -27.59749 -18.31459 1.000 45.84822 ? 755  ARG A N    1 
ATOM   920  C CA   . ARG A 1 160 ? -13.74978 -28.27035 -17.35963 1.000 46.90805 ? 755  ARG A CA   1 
ATOM   921  C C    . ARG A 1 160 ? -14.34350 -29.62017 -16.97038 1.000 48.52353 ? 755  ARG A C    1 
ATOM   922  O O    . ARG A 1 160 ? -15.55125 -29.85136 -17.07197 1.000 49.90419 ? 755  ARG A O    1 
ATOM   923  C CB   . ARG A 1 160 ? -13.55533 -27.40718 -16.11201 1.000 51.09011 ? 755  ARG A CB   1 
ATOM   924  C CG   . ARG A 1 160 ? -12.66327 -26.19570 -16.32942 1.000 53.85186 ? 755  ARG A CG   1 
ATOM   925  C CD   . ARG A 1 160 ? -13.00408 -25.07731 -15.36028 1.000 58.14947 ? 755  ARG A CD   1 
ATOM   926  N NE   . ARG A 1 160 ? -12.95372 -25.51527 -13.97040 1.000 65.03967 ? 755  ARG A NE   1 
ATOM   927  C CZ   . ARG A 1 160 ? -12.00907 -25.16466 -13.10845 1.000 69.41054 ? 755  ARG A CZ   1 
ATOM   928  N NH1  . ARG A 1 160 ? -11.01906 -24.35922 -13.45879 1.000 67.53687 ? 755  ARG A NH1  1 
ATOM   929  N NH2  . ARG A 1 160 ? -12.06312 -25.62791 -11.86175 1.000 69.71490 ? 755  ARG A NH2  1 
ATOM   930  N N    . THR A 1 161 ? -13.46922 -30.51409 -16.51734 1.000 48.80589 ? 756  THR A N    1 
ATOM   931  C CA   . THR A 1 161 ? -13.85713 -31.81294 -15.98320 1.000 51.05985 ? 756  THR A CA   1 
ATOM   932  C C    . THR A 1 161 ? -13.46595 -31.86818 -14.51429 1.000 55.52598 ? 756  THR A C    1 
ATOM   933  O O    . THR A 1 161 ? -12.31957 -31.56860 -14.16568 1.000 55.32540 ? 756  THR A O    1 
ATOM   934  C CB   . THR A 1 161 ? -13.17890 -32.94954 -16.74857 1.000 49.66244 ? 756  THR A CB   1 
ATOM   935  O OG1  . THR A 1 161 ? -13.39930 -32.77732 -18.15378 1.000 47.51615 ? 756  THR A OG1  1 
ATOM   936  C CG2  . THR A 1 161 ? -13.73078 -34.30559 -16.29699 1.000 52.61467 ? 756  THR A CG2  1 
ATOM   937  N N    . GLU A 1 162 ? -14.40760 -32.25005 -13.65778 1.000 59.00680 ? 757  GLU A N    1 
ATOM   938  C CA   . GLU A 1 162 ? -14.14268 -32.26539 -12.22758 1.000 61.82448 ? 757  GLU A CA   1 
ATOM   939  C C    . GLU A 1 162 ? -13.65000 -33.64080 -11.77790 1.000 62.85462 ? 757  GLU A C    1 
ATOM   940  O O    . GLU A 1 162 ? -13.80001 -34.64571 -12.47744 1.000 61.91850 ? 757  GLU A O    1 
ATOM   941  C CB   . GLU A 1 162 ? -15.39357 -31.86439 -11.43971 1.000 66.06977 ? 757  GLU A CB   1 
ATOM   942  C CG   . GLU A 1 162 ? -16.07739 -30.58445 -11.93311 1.000 70.03665 ? 757  GLU A CG   1 
ATOM   943  C CD   . GLU A 1 162 ? -15.13902 -29.38333 -12.01593 1.000 70.75458 ? 757  GLU A CD   1 
ATOM   944  O OE1  . GLU A 1 162 ? -13.98779 -29.47646 -11.53437 1.000 70.39830 ? 757  GLU A OE1  1 
ATOM   945  O OE2  . GLU A 1 162 ? -15.55771 -28.34129 -12.56942 1.000 71.41276 ? 757  GLU A OE2  1 
ATOM   946  N N    . GLY A 1 163 ? -13.03617 -33.66415 -10.59438 1.000 65.60880 ? 758  GLY A N    1 
ATOM   947  C CA   . GLY A 1 163 ? -12.60916 -34.89278 -9.95746  1.000 67.84241 ? 758  GLY A CA   1 
ATOM   948  C C    . GLY A 1 163 ? -11.42816 -35.59131 -10.59173 1.000 64.47720 ? 758  GLY A C    1 
ATOM   949  O O    . GLY A 1 163 ? -11.05355 -36.67557 -10.13117 1.000 66.35905 ? 758  GLY A O    1 
ATOM   950  N N    . VAL A 1 164 ? -10.81240 -35.00736 -11.61675 1.000 60.14688 ? 759  VAL A N    1 
ATOM   951  C CA   . VAL A 1 164 ? -9.75584  -35.67433 -12.36511 1.000 57.53381 ? 759  VAL A CA   1 
ATOM   952  C C    . VAL A 1 164 ? -8.38251  -35.08798 -12.09140 1.000 56.63104 ? 759  VAL A C    1 
ATOM   953  O O    . VAL A 1 164 ? -7.40475  -35.51601 -12.72482 1.000 54.58818 ? 759  VAL A O    1 
ATOM   954  C CB   . VAL A 1 164 ? -10.05161 -35.65358 -13.87719 1.000 54.42570 ? 759  VAL A CB   1 
ATOM   955  C CG1  . VAL A 1 164 ? -11.29315 -36.48222 -14.19000 1.000 56.19299 ? 759  VAL A CG1  1 
ATOM   956  C CG2  . VAL A 1 164 ? -10.23281 -34.22446 -14.35628 1.000 52.27733 ? 759  VAL A CG2  1 
ATOM   957  N N    . SER A 1 165 ? -8.26377  -34.13610 -11.16851 1.000 58.20126 ? 760  SER A N    1 
ATOM   958  C CA   . SER A 1 165 ? -7.00018  -33.43256 -10.99970 1.000 57.61426 ? 760  SER A CA   1 
ATOM   959  C C    . SER A 1 165 ? -5.99772  -34.26992 -10.21367 1.000 59.45160 ? 760  SER A C    1 
ATOM   960  O O    . SER A 1 165 ? -6.36145  -35.07967 -9.35364  1.000 62.38870 ? 760  SER A O    1 
ATOM   961  C CB   . SER A 1 165 ? -7.21061  -32.09160 -10.29507 1.000 59.76125 ? 760  SER A CB   1 
ATOM   962  O OG   . SER A 1 165 ? -7.29617  -32.25938 -8.89333  1.000 64.31741 ? 760  SER A OG   1 
ATOM   963  N N    . THR A 1 166 ? -4.71550  -34.06140 -10.52781 1.000 50.70530 ? 761  THR A N    1 
ATOM   964  C CA   . THR A 1 166 ? -3.63395  -34.66739 -9.75911  1.000 51.73366 ? 761  THR A CA   1 
ATOM   965  C C    . THR A 1 166 ? -3.88579  -34.52253 -8.26210  1.000 53.50169 ? 761  THR A C    1 
ATOM   966  O O    . THR A 1 166 ? -3.74053  -35.48150 -7.49605  1.000 55.46455 ? 761  THR A O    1 
ATOM   967  C CB   . THR A 1 166 ? -2.30038  -34.02415 -10.15609 1.000 53.78556 ? 761  THR A CB   1 
ATOM   968  O OG1  . THR A 1 166 ? -2.02576  -34.30637 -11.53438 1.000 46.18306 ? 761  THR A OG1  1 
ATOM   969  C CG2  . THR A 1 166 ? -1.16860  -34.55866 -9.29896  1.000 53.99986 ? 761  THR A CG2  1 
ATOM   970  N N    . THR A 1 167 ? -4.28523  -33.32110 -7.83968  1.000 49.67515 ? 762  THR A N    1 
ATOM   971  C CA   . THR A 1 167 ? -4.71300  -33.08339 -6.46330  1.000 58.01374 ? 762  THR A CA   1 
ATOM   972  C C    . THR A 1 167 ? -5.64745  -34.17341 -5.94964  1.000 57.55846 ? 762  THR A C    1 
ATOM   973  O O    . THR A 1 167 ? -5.40624  -34.77452 -4.89732  1.000 58.39716 ? 762  THR A O    1 
ATOM   974  C CB   . THR A 1 167 ? -5.41417  -31.72561 -6.37349  1.000 53.98040 ? 762  THR A CB   1 
ATOM   975  O OG1  . THR A 1 167 ? -4.44011  -30.67637 -6.32032  1.000 61.70428 ? 762  THR A OG1  1 
ATOM   976  C CG2  . THR A 1 167 ? -6.31032  -31.67038 -5.13523  1.000 63.13165 ? 762  THR A CG2  1 
ATOM   977  N N    . ASP A 1 168 ? -6.73958  -34.42056 -6.67783  1.000 54.55080 ? 763  ASP A N    1 
ATOM   978  C CA   . ASP A 1 168 ? -7.74764  -35.38007 -6.23870  1.000 55.44268 ? 763  ASP A CA   1 
ATOM   979  C C    . ASP A 1 168 ? -7.21915  -36.80849 -6.18585  1.000 55.92624 ? 763  ASP A C    1 
ATOM   980  O O    . ASP A 1 168 ? -7.76634  -37.62900 -5.44102  1.000 53.31335 ? 763  ASP A O    1 
ATOM   981  C CB   . ASP A 1 168 ? -8.96326  -35.32395 -7.16748  1.000 59.44746 ? 763  ASP A CB   1 
ATOM   982  C CG   . ASP A 1 168 ? -9.47426  -33.91832 -7.37263  1.000 57.39549 ? 763  ASP A CG   1 
ATOM   983  O OD1  . ASP A 1 168 ? -9.43238  -33.12469 -6.41170  1.000 61.84870 ? 763  ASP A OD1  1 
ATOM   984  O OD2  . ASP A 1 168 ? -9.91200  -33.60468 -8.49792  1.000 60.15079 ? 763  ASP A OD2  1 
ATOM   985  N N    . LEU A 1 169 ? -6.18721  -37.13211 -6.97248  1.000 53.75758 ? 764  LEU A N    1 
ATOM   986  C CA   . LEU A 1 169 ? -5.64079  -38.48638 -6.96086  1.000 53.08968 ? 764  LEU A CA   1 
ATOM   987  C C    . LEU A 1 169 ? -4.79616  -38.75908 -5.72084  1.000 52.74000 ? 764  LEU A C    1 
ATOM   988  O O    . LEU A 1 169 ? -4.75380  -39.89953 -5.24627  1.000 53.93014 ? 764  LEU A O    1 
ATOM   989  C CB   . LEU A 1 169 ? -4.81712  -38.74025 -8.22907  1.000 54.91196 ? 764  LEU A CB   1 
ATOM   990  C CG   . LEU A 1 169 ? -5.61325  -38.85551 -9.53193  1.000 50.69562 ? 764  LEU A CG   1 
ATOM   991  C CD1  . LEU A 1 169 ? -4.67986  -38.97651 -10.72746 1.000 49.98913 ? 764  LEU A CD1  1 
ATOM   992  C CD2  . LEU A 1 169 ? -6.57778  -40.04177 -9.47833  1.000 45.92717 ? 764  LEU A CD2  1 
ATOM   993  N N    . ILE A 1 170 ? -4.11118  -37.74782 -5.18651  1.000 53.10739 ? 765  ILE A N    1 
ATOM   994  C CA   . ILE A 1 170 ? -3.45285  -37.92768 -3.89594  1.000 56.41875 ? 765  ILE A CA   1 
ATOM   995  C C    . ILE A 1 170 ? -4.49375  -38.07678 -2.79801  1.000 58.05313 ? 765  ILE A C    1 
ATOM   996  O O    . ILE A 1 170 ? -4.30852  -38.84022 -1.84177  1.000 55.59936 ? 765  ILE A O    1 
ATOM   997  C CB   . ILE A 1 170 ? -2.49218  -36.76378 -3.59796  1.000 58.34858 ? 765  ILE A CB   1 
ATOM   998  C CG1  . ILE A 1 170 ? -1.39378  -36.68997 -4.65630  1.000 60.58516 ? 765  ILE A CG1  1 
ATOM   999  C CG2  . ILE A 1 170 ? -1.89385  -36.91417 -2.20815  1.000 58.31482 ? 765  ILE A CG2  1 
ATOM   1000 C CD1  . ILE A 1 170 ? -1.54297  -35.51524 -5.59670  1.000 63.25209 ? 765  ILE A CD1  1 
ATOM   1001 N N    . VAL A 1 171 ? -5.60627  -37.34893 -2.91783  1.000 55.51778 ? 766  VAL A N    1 
ATOM   1002 C CA   . VAL A 1 171 ? -6.70135  -37.52268 -1.97303  1.000 57.87943 ? 766  VAL A CA   1 
ATOM   1003 C C    . VAL A 1 171 ? -7.26544  -38.93257 -2.06768  1.000 58.05951 ? 766  VAL A C    1 
ATOM   1004 O O    . VAL A 1 171 ? -7.68743  -39.50610 -1.05677  1.000 59.36226 ? 766  VAL A O    1 
ATOM   1005 C CB   . VAL A 1 171 ? -7.78974  -36.45708 -2.20820  1.000 56.33688 ? 766  VAL A CB   1 
ATOM   1006 C CG1  . VAL A 1 171 ? -8.92353  -36.63409 -1.21285  1.000 55.46976 ? 766  VAL A CG1  1 
ATOM   1007 C CG2  . VAL A 1 171 ? -7.19439  -35.05618 -2.11076  1.000 57.13089 ? 766  VAL A CG2  1 
ATOM   1008 N N    . ARG A 1 172 ? -7.27788  -39.52068 -3.27156  1.000 55.54995 ? 767  ARG A N    1 
ATOM   1009 C CA   . ARG A 1 172 ? -7.73902  -40.90050 -3.40277  1.000 55.94335 ? 767  ARG A CA   1 
ATOM   1010 C C    . ARG A 1 172 ? -6.80849  -41.86449 -2.67743  1.000 58.21690 ? 767  ARG A C    1 
ATOM   1011 O O    . ARG A 1 172 ? -7.26722  -42.84366 -2.07772  1.000 61.09739 ? 767  ARG A O    1 
ATOM   1012 C CB   . ARG A 1 172 ? -7.86310  -41.29786 -4.87534  1.000 52.28415 ? 767  ARG A CB   1 
ATOM   1013 C CG   . ARG A 1 172 ? -7.14540  -42.60515 -5.19200  1.000 48.62649 ? 767  ARG A CG   1 
ATOM   1014 C CD   . ARG A 1 172 ? -7.80741  -43.44331 -6.29161  1.000 44.57295 ? 767  ARG A CD   1 
ATOM   1015 N NE   . ARG A 1 172 ? -8.76591  -42.72569 -7.12559  1.000 40.55193 ? 767  ARG A NE   1 
ATOM   1016 C CZ   . ARG A 1 172 ? -8.94155  -42.96841 -8.41925  1.000 38.52657 ? 767  ARG A CZ   1 
ATOM   1017 N NH1  . ARG A 1 172 ? -8.18292  -43.83729 -9.06666  1.000 37.95892 ? 767  ARG A NH1  1 
ATOM   1018 N NH2  . ARG A 1 172 ? -9.89219  -42.31507 -9.08207  1.000 37.29421 ? 767  ARG A NH2  1 
ATOM   1019 N N    . ILE A 1 173 ? -5.50034  -41.61196 -2.72886  1.000 57.46727 ? 768  ILE A N    1 
ATOM   1020 C CA   . ILE A 1 173 ? -4.54669  -42.45303 -2.00779  1.000 60.75343 ? 768  ILE A CA   1 
ATOM   1021 C C    . ILE A 1 173 ? -4.71947  -42.27805 -0.50457  1.000 62.60915 ? 768  ILE A C    1 
ATOM   1022 O O    . ILE A 1 173 ? -4.93115  -43.24472 0.23694   1.000 65.66150 ? 768  ILE A O    1 
ATOM   1023 C CB   . ILE A 1 173 ? -3.10711  -42.12841 -2.43954  1.000 58.78571 ? 768  ILE A CB   1 
ATOM   1024 C CG1  . ILE A 1 173 ? -2.96901  -42.24684 -3.95934  1.000 56.94712 ? 768  ILE A CG1  1 
ATOM   1025 C CG2  . ILE A 1 173 ? -2.12034  -43.03293 -1.70896  1.000 60.04484 ? 768  ILE A CG2  1 
ATOM   1026 C CD1  . ILE A 1 173 ? -1.67845  -41.66584 -4.50958  1.000 55.45313 ? 768  ILE A CD1  1 
ATOM   1027 N N    . LEU A 1 174 ? -4.62354  -41.03675 -0.03412  1.000 62.16724 ? 769  LEU A N    1 
ATOM   1028 C CA   . LEU A 1 174 ? -4.74904  -40.77000 1.39245   1.000 63.94286 ? 769  LEU A CA   1 
ATOM   1029 C C    . LEU A 1 174 ? -6.10004  -41.20489 1.95057   1.000 67.33470 ? 769  LEU A C    1 
ATOM   1030 O O    . LEU A 1 174 ? -6.20976  -41.44752 3.15742   1.000 68.04472 ? 769  LEU A O    1 
ATOM   1031 C CB   . LEU A 1 174 ? -4.51863  -39.28465 1.65511   1.000 62.35383 ? 769  LEU A CB   1 
ATOM   1032 C CG   . LEU A 1 174 ? -3.16919  -38.76573 1.15805   1.000 64.58054 ? 769  LEU A CG   1 
ATOM   1033 C CD1  . LEU A 1 174 ? -3.02204  -37.27591 1.44352   1.000 64.49499 ? 769  LEU A CD1  1 
ATOM   1034 C CD2  . LEU A 1 174 ? -2.03052  -39.55606 1.78986   1.000 64.41871 ? 769  LEU A CD2  1 
ATOM   1035 N N    . LYS A 1 175 ? -7.13046  -41.31122 1.10678   1.000 64.89531 ? 770  LYS A N    1 
ATOM   1036 C CA   . LYS A 1 175 ? -8.43248  -41.75329 1.59758   1.000 69.09265 ? 770  LYS A CA   1 
ATOM   1037 C C    . LYS A 1 175 ? -8.44046  -43.24743 1.90198   1.000 70.35574 ? 770  LYS A C    1 
ATOM   1038 O O    . LYS A 1 175 ? -9.19491  -43.69554 2.77321   1.000 73.49589 ? 770  LYS A O    1 
ATOM   1039 C CB   . LYS A 1 175 ? -9.52419  -41.40354 0.58759   1.000 68.55715 ? 770  LYS A CB   1 
ATOM   1040 N N    . ASN A 1 176 ? -7.61227  -44.02601 1.20709   1.000 69.07772 ? 771  ASN A N    1 
ATOM   1041 C CA   . ASN A 1 176 ? -7.39709  -45.43123 1.52184   1.000 70.29715 ? 771  ASN A CA   1 
ATOM   1042 C C    . ASN A 1 176 ? -6.28771  -45.63482 2.54730   1.000 73.64284 ? 771  ASN A C    1 
ATOM   1043 O O    . ASN A 1 176 ? -5.84568  -46.77022 2.75269   1.000 74.84719 ? 771  ASN A O    1 
ATOM   1044 C CB   . ASN A 1 176 ? -7.07363  -46.21218 0.24673   1.000 68.87147 ? 771  ASN A CB   1 
ATOM   1045 N N    . TYR A 1 177 ? -5.83098  -44.56667 3.19042   1.000 74.17325 ? 772  TYR A N    1 
ATOM   1046 C CA   . TYR A 1 177 ? -4.73688  -44.66035 4.14805   1.000 76.66464 ? 772  TYR A CA   1 
ATOM   1047 C C    . TYR A 1 177 ? -5.14089  -44.09810 5.50938   1.000 74.23341 ? 772  TYR A C    1 
ATOM   1048 O O    . TYR A 1 177 ? -6.11393  -44.55145 6.11588   1.000 77.44900 ? 772  TYR A O    1 
ATOM   1049 C CB   . TYR A 1 177 ? -3.50705  -43.92625 3.61447   1.000 71.62749 ? 772  TYR A CB   1 
ATOM   1050 C CG   . TYR A 1 177 ? -2.20968  -44.65981 3.85746   1.000 75.96964 ? 772  TYR A CG   1 
ATOM   1051 C CD1  . TYR A 1 177 ? -1.98860  -45.34967 5.04423   1.000 73.65418 ? 772  TYR A CD1  1 
ATOM   1052 C CD2  . TYR A 1 177 ? -1.20792  -44.67141 2.89512   1.000 73.21518 ? 772  TYR A CD2  1 
ATOM   1053 C CE1  . TYR A 1 177 ? -0.80070  -46.02493 5.26662   1.000 72.78723 ? 772  TYR A CE1  1 
ATOM   1054 C CE2  . TYR A 1 177 ? -0.01880  -45.34292 3.10673   1.000 70.23441 ? 772  TYR A CE2  1 
ATOM   1055 C CZ   . TYR A 1 177 ? 0.18101   -46.01742 4.29323   1.000 71.27636 ? 772  TYR A CZ   1 
ATOM   1056 O OH   . TYR A 1 177 ? 1.36505   -46.68697 4.50526   1.000 73.11776 ? 772  TYR A OH   1 
HETATM 1057 C C02  . IRU B 2 .   ? 5.31554   -16.48927 -33.78637 1.000 34.71890 ? 801  IRU A C02  1 
HETATM 1058 C C03  . IRU B 2 .   ? 4.55022   -17.53495 -33.03081 1.000 31.76643 ? 801  IRU A C03  1 
HETATM 1059 C C04  . IRU B 2 .   ? 4.55242   -17.85949 -31.67754 1.000 29.17720 ? 801  IRU A C04  1 
HETATM 1060 C C05  . IRU B 2 .   ? 3.65154   -18.93506 -31.50793 1.000 28.55240 ? 801  IRU A C05  1 
HETATM 1061 N N06  . IRU B 2 .   ? 3.09968   -19.27002 -32.70348 1.000 32.31312 ? 801  IRU A N06  1 
HETATM 1062 N N07  . IRU B 2 .   ? 3.66366   -18.41624 -33.58578 1.000 31.06645 ? 801  IRU A N07  1 
HETATM 1063 O O01  . IRU B 2 .   ? 4.72670   -15.24671 -33.52287 1.000 36.52872 ? 801  IRU A O01  1 
HETATM 1064 C C02  . IRU C 2 .   ? -8.74887  -26.82535 -16.30574 1.000 45.71129 ? 802  IRU A C02  1 
HETATM 1065 C C03  . IRU C 2 .   ? -9.60929  -27.78462 -15.66018 1.000 46.80517 ? 802  IRU A C03  1 
HETATM 1066 C C04  . IRU C 2 .   ? -9.99587  -27.88046 -14.34110 1.000 53.30368 ? 802  IRU A C04  1 
HETATM 1067 C C05  . IRU C 2 .   ? -10.84467 -29.00338 -14.26303 1.000 51.18677 ? 802  IRU A C05  1 
HETATM 1068 N N06  . IRU C 2 .   ? -10.98937 -29.57622 -15.49258 1.000 45.97044 ? 802  IRU A N06  1 
HETATM 1069 N N07  . IRU C 2 .   ? -10.24273 -28.82077 -16.29827 1.000 44.10415 ? 802  IRU A N07  1 
HETATM 1070 O O01  . IRU C 2 .   ? -7.73767  -26.40552 -15.36816 1.000 47.83370 ? 802  IRU A O01  1 
HETATM 1071 H H022 . IRU C 2 .   ? -9.33882  -25.95922 -16.67766 1.000 54.85961 ? 802  IRU A H022 1 
HETATM 1072 H H021 . IRU C 2 .   ? -8.29367  -27.26252 -17.22129 1.000 54.85961 ? 802  IRU A H021 1 
HETATM 1073 H H041 . IRU C 2 .   ? -9.72698  -27.25020 -13.51799 1.000 63.97048 ? 802  IRU A H041 1 
HETATM 1074 H H051 . IRU C 2 .   ? -11.33834 -29.39745 -13.37348 1.000 61.43019 ? 802  IRU A H051 1 
HETATM 1075 H H071 . IRU C 2 .   ? -10.19755 -29.05490 -17.28280 1.000 52.93104 ? 802  IRU A H071 1 
HETATM 1076 H H011 . IRU C 2 .   ? -7.40911  -27.20412 -14.88836 1.000 57.40649 ? 802  IRU A H011 1 
HETATM 1077 C C02  . IRU D 2 .   ? -4.77902  -16.03758 -18.28894 1.000 35.60567 ? 803  IRU A C02  1 
HETATM 1078 C C03  . IRU D 2 .   ? -5.46972  -17.07417 -17.58158 1.000 34.51448 ? 803  IRU A C03  1 
HETATM 1079 C C04  . IRU D 2 .   ? -5.33188  -17.52743 -16.29133 1.000 33.10769 ? 803  IRU A C04  1 
HETATM 1080 C C05  . IRU D 2 .   ? -6.25983  -18.57148 -16.14787 1.000 38.12026 ? 803  IRU A C05  1 
HETATM 1081 N N06  . IRU D 2 .   ? -6.94767  -18.75732 -17.31772 1.000 39.28197 ? 803  IRU A N06  1 
HETATM 1082 N N07  . IRU D 2 .   ? -6.44289  -17.85034 -18.14103 1.000 35.43088 ? 803  IRU A N07  1 
HETATM 1083 O O01  . IRU D 2 .   ? -5.48785  -14.82965 -18.13433 1.000 38.83385 ? 803  IRU A O01  1 
HETATM 1084 H H022 . IRU D 2 .   ? -4.66809  -16.30498 -19.36260 1.000 42.73286 ? 803  IRU A H022 1 
HETATM 1085 H H021 . IRU D 2 .   ? -3.73465  -15.94198 -17.91921 1.000 42.73286 ? 803  IRU A H021 1 
HETATM 1086 H H041 . IRU D 2 .   ? -4.66632  -17.18076 -15.52720 1.000 39.73529 ? 803  IRU A H041 1 
HETATM 1087 H H051 . IRU D 2 .   ? -6.44389  -19.17544 -15.25813 1.000 45.75037 ? 803  IRU A H051 1 
HETATM 1088 H H071 . IRU D 2 .   ? -6.79993  -17.79929 -19.08765 1.000 42.52311 ? 803  IRU A H071 1 
HETATM 1089 H H011 . IRU D 2 .   ? -6.33805  -15.04183 -17.72659 1.000 46.60668 ? 803  IRU A H011 1 
HETATM 1090 O O    . HOH E 3 .   ? -5.13199  -22.64592 -12.91202 1.000 41.74782 ? 901  HOH A O    1 
HETATM 1091 O O    . HOH E 3 .   ? 3.409     -14.349   -35.277   1.000 40.99998 ? 902  HOH A O    1 
HETATM 1092 O O    . HOH E 3 .   ? 11.77821  -28.06655 -25.92058 1.000 34.41747 ? 903  HOH A O    1 
HETATM 1093 O O    . HOH E 3 .   ? -21.09670 -11.35531 -20.54051 1.000 40.71876 ? 904  HOH A O    1 
HETATM 1094 O O    . HOH E 3 .   ? 10.50095  -33.09230 -22.54103 1.000 27.80246 ? 905  HOH A O    1 
HETATM 1095 O O    . HOH E 3 .   ? -11.50070 -25.46955 -40.83998 1.000 32.07396 ? 906  HOH A O    1 
HETATM 1096 O O    . HOH E 3 .   ? -8.47495  -15.98255 -21.94416 1.000 41.88018 ? 907  HOH A O    1 
HETATM 1097 O O    . HOH E 3 .   ? 5.68309   -14.47335 -29.11738 1.000 23.88074 ? 908  HOH A O    1 
HETATM 1098 O O    . HOH E 3 .   ? -9.95034  -22.61204 -19.54525 1.000 36.19050 ? 909  HOH A O    1 
HETATM 1099 O O    . HOH E 3 .   ? -8.39993  -9.39088  -34.70844 1.000 38.21641 ? 910  HOH A O    1 
HETATM 1100 O O    . HOH E 3 .   ? -1.93200  -24.49903 -9.08454  1.000 42.19592 ? 911  HOH A O    1 
HETATM 1101 O O    . HOH E 3 .   ? -11.67442 -37.18918 -25.06494 1.000 31.90225 ? 912  HOH A O    1 
HETATM 1102 O O    . HOH E 3 .   ? 12.07326  -24.87716 -13.58680 1.000 35.11671 ? 913  HOH A O    1 
HETATM 1103 O O    . HOH E 3 .   ? -3.16037  -14.72213 -22.85814 1.000 24.43952 ? 914  HOH A O    1 
HETATM 1104 O O    . HOH E 3 .   ? -0.79376  -17.38441 -36.23988 1.000 34.89548 ? 915  HOH A O    1 
HETATM 1105 O O    . HOH E 3 .   ? 1.14316   -14.29726 -17.79552 1.000 27.89768 ? 916  HOH A O    1 
HETATM 1106 O O    . HOH E 3 .   ? 0.81820   -9.66964  -18.99249 1.000 30.45083 ? 917  HOH A O    1 
HETATM 1107 O O    . HOH E 3 .   ? 12.84088  -22.64673 -14.29409 1.000 40.57534 ? 918  HOH A O    1 
HETATM 1108 O O    . HOH E 3 .   ? -12.74146 -14.51789 -35.70320 1.000 22.47850 ? 919  HOH A O    1 
HETATM 1109 O O    . HOH E 3 .   ? 5.62359   -32.14350 -15.73520 1.000 38.07112 ? 920  HOH A O    1 
HETATM 1110 O O    . HOH E 3 .   ? -5.71842  -16.56077 -38.76163 1.000 32.45634 ? 921  HOH A O    1 
HETATM 1111 O O    . HOH E 3 .   ? 3.57386   -24.34995 -36.50188 1.000 34.36873 ? 922  HOH A O    1 
HETATM 1112 O O    . HOH E 3 .   ? -1.54836  -6.08371  -26.13554 1.000 37.23563 ? 923  HOH A O    1 
HETATM 1113 O O    . HOH E 3 .   ? -5.65517  -36.55353 -14.44385 1.000 33.97021 ? 924  HOH A O    1 
HETATM 1114 O O    . HOH E 3 .   ? -9.19723  -12.04271 -35.11878 1.000 31.27827 ? 925  HOH A O    1 
HETATM 1115 O O    . HOH E 3 .   ? -2.40829  -31.21675 -33.12521 1.000 27.11389 ? 926  HOH A O    1 
HETATM 1116 O O    . HOH E 3 .   ? 6.25886   -14.06594 -31.66882 1.000 24.43686 ? 927  HOH A O    1 
HETATM 1117 O O    . HOH E 3 .   ? 7.46605   -30.49232 -16.41103 1.000 31.76526 ? 928  HOH A O    1 
HETATM 1118 O O    . HOH E 3 .   ? -7.81855  -18.39432 -23.67096 1.000 33.35188 ? 929  HOH A O    1 
HETATM 1119 O O    . HOH E 3 .   ? 2.25690   -29.84237 -15.96473 1.000 24.13741 ? 930  HOH A O    1 
HETATM 1120 O O    . HOH E 3 .   ? -2.67682  -9.95198  -24.74236 1.000 26.29045 ? 931  HOH A O    1 
HETATM 1121 O O    . HOH E 3 .   ? -19.26832 -23.64029 -20.89327 1.000 44.98979 ? 932  HOH A O    1 
HETATM 1122 O O    . HOH E 3 .   ? 0.74326   -7.91864  -15.20933 1.000 44.28677 ? 933  HOH A O    1 
HETATM 1123 O O    . HOH E 3 .   ? -8.03917  -21.80067 -22.07222 1.000 26.50310 ? 934  HOH A O    1 
HETATM 1124 O O    . HOH E 3 .   ? -18.81419 -18.48118 -30.54353 1.000 22.33272 ? 935  HOH A O    1 
HETATM 1125 O O    . HOH E 3 .   ? 0.28925   -33.37820 -13.52734 1.000 37.30288 ? 936  HOH A O    1 
HETATM 1126 O O    . HOH E 3 .   ? -18.29675 -19.87751 -34.61715 1.000 21.30806 ? 937  HOH A O    1 
HETATM 1127 O O    . HOH E 3 .   ? -1.32269  -5.88476  -32.93463 1.000 33.39401 ? 938  HOH A O    1 
HETATM 1128 O O    . HOH E 3 .   ? -9.79983  -24.23420 -23.87599 1.000 33.50352 ? 939  HOH A O    1 
HETATM 1129 O O    . HOH E 3 .   ? 1.55414   -28.22168 -17.95119 1.000 21.19286 ? 940  HOH A O    1 
HETATM 1130 O O    . HOH E 3 .   ? -3.90744  -30.21210 -37.33945 1.000 39.81181 ? 941  HOH A O    1 
HETATM 1131 O O    . HOH E 3 .   ? -17.85220 -23.96822 -27.80810 1.000 30.81776 ? 942  HOH A O    1 
HETATM 1132 O O    . HOH E 3 .   ? 8.99213   -20.69833 -21.29896 1.000 26.53718 ? 943  HOH A O    1 
HETATM 1133 O O    . HOH E 3 .   ? -12.08405 -30.59072 -19.18773 1.000 31.07484 ? 944  HOH A O    1 
HETATM 1134 O O    . HOH E 3 .   ? -4.05345  -27.35208 -11.81967 1.000 36.14469 ? 945  HOH A O    1 
HETATM 1135 O O    . HOH E 3 .   ? 0.60365   -34.49853 -16.71112 1.000 34.26825 ? 946  HOH A O    1 
HETATM 1136 O O    . HOH E 3 .   ? -7.16344  -14.56619 -20.44893 1.000 41.39682 ? 947  HOH A O    1 
HETATM 1137 O O    . HOH E 3 .   ? -17.03877 -23.37803 -19.49153 1.000 38.43076 ? 948  HOH A O    1 
HETATM 1138 O O    . HOH E 3 .   ? -13.57359 -30.18285 -22.45361 1.000 34.80640 ? 949  HOH A O    1 
HETATM 1139 O O    . HOH E 3 .   ? -12.46035 -33.21479 -24.93887 1.000 30.36746 ? 950  HOH A O    1 
HETATM 1140 O O    . HOH E 3 .   ? -14.88998 -11.60840 -35.56269 1.000 28.48949 ? 951  HOH A O    1 
HETATM 1141 O O    . HOH E 3 .   ? -4.82778  -24.01380 -16.46734 1.000 29.99932 ? 952  HOH A O    1 
HETATM 1142 O O    . HOH E 3 .   ? -16.44696 -25.60595 -17.63615 1.000 45.34406 ? 953  HOH A O    1 
HETATM 1143 O O    . HOH E 3 .   ? -8.48693  -15.54813 -40.59921 1.000 42.84398 ? 954  HOH A O    1 
HETATM 1144 O O    . HOH E 3 .   ? -14.77080 -28.97615 -29.89846 1.000 24.61703 ? 955  HOH A O    1 
HETATM 1145 O O    . HOH E 3 .   ? -9.42853  -29.85327 -35.73498 1.000 23.26429 ? 956  HOH A O    1 
HETATM 1146 O O    . HOH E 3 .   ? -20.73241 -9.49338  -24.80417 1.000 32.91270 ? 957  HOH A O    1 
HETATM 1147 O O    . HOH E 3 .   ? 1.15378   -30.28802 -33.90080 1.000 30.79999 ? 958  HOH A O    1 
HETATM 1148 O O    . HOH E 3 .   ? -1.36752  -21.49090 -38.39308 1.000 34.04893 ? 959  HOH A O    1 
HETATM 1149 O O    . HOH E 3 .   ? -10.05186 -43.27779 -2.04164  1.000 56.30957 ? 960  HOH A O    1 
HETATM 1150 O O    . HOH E 3 .   ? -8.81126  -6.79565  -23.12964 1.000 38.11680 ? 961  HOH A O    1 
HETATM 1151 O O    . HOH E 3 .   ? -15.03168 -26.67183 -39.53074 1.000 31.92189 ? 962  HOH A O    1 
HETATM 1152 O O    . HOH E 3 .   ? -3.37695  -31.19890 -10.93789 1.000 43.05742 ? 963  HOH A O    1 
HETATM 1153 O O    . HOH E 3 .   ? 9.88735   -25.70191 -21.08075 1.000 30.80020 ? 964  HOH A O    1 
HETATM 1154 O O    . HOH E 3 .   ? -9.81801  -19.36713 -41.26746 1.000 40.08834 ? 965  HOH A O    1 
HETATM 1155 O O    . HOH E 3 .   ? -7.88023  -12.11795 -20.82263 1.000 34.50651 ? 966  HOH A O    1 
HETATM 1156 O O    . HOH E 3 .   ? 9.70798   -15.80445 -11.26312 1.000 47.00111 ? 967  HOH A O    1 
HETATM 1157 O O    . HOH E 3 .   ? -16.94521 -24.43936 -32.94527 1.000 32.89041 ? 968  HOH A O    1 
HETATM 1158 O O    . HOH E 3 .   ? -11.88045 -15.17147 -37.96556 1.000 33.15512 ? 969  HOH A O    1 
HETATM 1159 O O    . HOH E 3 .   ? -18.15542 -17.43823 -32.87673 1.000 18.95713 ? 970  HOH A O    1 
HETATM 1160 O O    . HOH E 3 .   ? -15.47085 -14.51242 -35.53503 1.000 24.07063 ? 971  HOH A O    1 
HETATM 1161 O O    . HOH E 3 .   ? -7.28081  -24.63476 -22.24748 1.000 31.01953 ? 972  HOH A O    1 
HETATM 1162 O O    . HOH E 3 .   ? 7.64070   -16.87014 -15.29347 1.000 29.67550 ? 973  HOH A O    1 
HETATM 1163 O O    . HOH E 3 .   ? 2.93226   -12.40276 -26.34582 1.000 32.58048 ? 974  HOH A O    1 
HETATM 1164 O O    . HOH E 3 .   ? 3.82268   -12.42134 -19.23528 1.000 31.32562 ? 975  HOH A O    1 
HETATM 1165 O O    . HOH E 3 .   ? -12.12403 -9.93219  -37.27068 1.000 35.05174 ? 976  HOH A O    1 
HETATM 1166 O O    . HOH E 3 .   ? -7.50155  -21.67678 -18.68246 1.000 36.94717 ? 977  HOH A O    1 
HETATM 1167 O O    . HOH E 3 .   ? 4.17909   -12.98688 -24.55231 1.000 33.30964 ? 978  HOH A O    1 
HETATM 1168 O O    . HOH E 3 .   ? -17.66048 -3.88430  -30.55846 1.000 39.01626 ? 979  HOH A O    1 
HETATM 1169 O O    . HOH E 3 .   ? -2.32354  -7.55112  -21.28640 1.000 35.07735 ? 980  HOH A O    1 
HETATM 1170 O O    . HOH E 3 .   ? -9.63389  -38.57570 -27.86616 1.000 38.19754 ? 981  HOH A O    1 
HETATM 1171 O O    . HOH E 3 .   ? 7.56085   -14.63128 -13.73124 1.000 37.63362 ? 982  HOH A O    1 
HETATM 1172 O O    . HOH E 3 .   ? -9.73917  -10.58797 -22.00817 1.000 41.62310 ? 983  HOH A O    1 
HETATM 1173 O O    . HOH E 3 .   ? 2.58766   -9.77546  -27.25875 1.000 35.44847 ? 984  HOH A O    1 
HETATM 1174 O O    . HOH E 3 .   ? -6.95667  -29.47379 -37.17241 1.000 23.80908 ? 985  HOH A O    1 
HETATM 1175 O O    . HOH E 3 .   ? 3.94890   -6.46039  -29.73217 1.000 43.87337 ? 986  HOH A O    1 
HETATM 1176 O O    . HOH E 3 .   ? 6.899     -20.199   -29.888   1.000 17.93383 ? 987  HOH A O    1 
HETATM 1177 O O    . HOH E 3 .   ? -7.24253  -25.72221 -19.59893 1.000 34.28338 ? 988  HOH A O    1 
HETATM 1178 O O    . HOH E 3 .   ? -8.55967  -7.93776  -32.69144 1.000 30.86715 ? 989  HOH A O    1 
HETATM 1179 O O    . HOH E 3 .   ? -6.74327  -27.59097 -12.01672 1.000 40.28331 ? 990  HOH A O    1 
HETATM 1180 O O    . HOH E 3 .   ? 7.89813   -30.81554 -12.90040 1.000 38.66972 ? 991  HOH A O    1 
HETATM 1181 O O    . HOH E 3 .   ? -9.69939  -28.32089 -49.30634 1.000 61.03956 ? 992  HOH A O    1 
HETATM 1182 O O    . HOH E 3 .   ? -3.74335  -24.99967 -13.58512 1.000 29.76543 ? 993  HOH A O    1 
HETATM 1183 O O    . HOH E 3 .   ? -1.65710  -8.58656  -19.30634 1.000 33.91289 ? 994  HOH A O    1 
HETATM 1184 O O    . HOH E 3 .   ? 12.09364  -26.44772 -10.64654 1.000 40.54456 ? 995  HOH A O    1 
HETATM 1185 O O    . HOH E 3 .   ? -8.84501  -37.29244 -32.53409 1.000 39.71628 ? 996  HOH A O    1 
HETATM 1186 O O    . HOH E 3 .   ? -10.50987 -31.95913 -11.76766 1.000 53.80854 ? 997  HOH A O    1 
HETATM 1187 O O    . HOH E 3 .   ? 10.83755  -19.20206 -20.08178 1.000 33.21214 ? 998  HOH A O    1 
HETATM 1188 O O    . HOH E 3 .   ? -14.91381 -8.03027  -21.49107 1.000 36.61062 ? 999  HOH A O    1 
HETATM 1189 O O    . HOH E 3 .   ? -16.66117 -29.01364 -32.45925 1.000 37.27368 ? 1000 HOH A O    1 
HETATM 1190 O O    . HOH E 3 .   ? -6.90664  -11.12829 -13.00132 1.000 48.03846 ? 1001 HOH A O    1 
HETATM 1191 O O    . HOH E 3 .   ? -19.38653 -25.21875 -25.50468 1.000 39.66571 ? 1002 HOH A O    1 
HETATM 1192 O O    . HOH E 3 .   ? -16.96339 -27.81264 -28.66461 1.000 27.63736 ? 1003 HOH A O    1 
HETATM 1193 O O    . HOH E 3 .   ? -17.23887 -25.87838 -36.75632 1.000 39.05161 ? 1004 HOH A O    1 
HETATM 1194 O O    . HOH E 3 .   ? -3.36136  -20.34820 -40.37549 1.000 40.51543 ? 1005 HOH A O    1 
HETATM 1195 O O    . HOH E 3 .   ? -5.68408  -21.62894 -15.40169 1.000 37.38749 ? 1006 HOH A O    1 
HETATM 1196 O O    . HOH E 3 .   ? -3.66474  -22.47938 -10.92824 1.000 42.70422 ? 1007 HOH A O    1 
HETATM 1197 O O    . HOH E 3 .   ? -20.52717 -21.54192 -22.08216 1.000 41.38104 ? 1008 HOH A O    1 
HETATM 1198 O O    . HOH E 3 .   ? -17.706   -0.642    -25.525   1.000 41.28218 ? 1009 HOH A O    1 
HETATM 1199 O O    . HOH E 3 .   ? -4.872    -29.659   -9.380    1.000 49.14332 ? 1010 HOH A O    1 
HETATM 1200 O O    . HOH E 3 .   ? -13.96216 -35.16881 -28.70365 1.000 40.95671 ? 1011 HOH A O    1 
HETATM 1201 O O    . HOH E 3 .   ? -4.25884  -28.91377 -39.28841 1.000 44.56771 ? 1012 HOH A O    1 
HETATM 1202 O O    . HOH E 3 .   ? 10.386    -31.376   -25.632   1.000 37.94261 ? 1013 HOH A O    1 
HETATM 1203 O O    . HOH E 3 .   ? -21.366   -0.302    -26.188   1.000 37.99156 ? 1014 HOH A O    1 
HETATM 1204 O O    . HOH E 3 .   ? 0.03836   -6.67721  -34.82707 1.000 42.41910 ? 1015 HOH A O    1 
HETATM 1205 O O    . HOH E 3 .   ? -2.93869  -12.79943 -24.65369 1.000 26.46960 ? 1016 HOH A O    1 
HETATM 1206 O O    . HOH E 3 .   ? -0.62313  -8.32068  -25.09148 1.000 30.77744 ? 1017 HOH A O    1 
HETATM 1207 O O    . HOH E 3 .   ? 1.25009   -15.94852 -36.99029 1.000 42.56510 ? 1018 HOH A O    1 
HETATM 1208 O O    . HOH E 3 .   ? -6.30739  -14.14535 -39.70271 1.000 43.33181 ? 1019 HOH A O    1 
HETATM 1209 O O    . HOH E 3 .   ? 2.30629   -33.71609 -15.73398 1.000 38.98960 ? 1020 HOH A O    1 
HETATM 1210 O O    . HOH E 3 .   ? -4.54938  -33.29675 -33.33512 1.000 32.39002 ? 1021 HOH A O    1 
HETATM 1211 O O    . HOH E 3 .   ? -6.56090  -12.31504 -37.81048 1.000 39.77509 ? 1022 HOH A O    1 
HETATM 1212 O O    . HOH E 3 .   ? 0.37024   -8.48896  -28.03747 1.000 34.67493 ? 1023 HOH A O    1 
HETATM 1213 O O    . HOH E 3 .   ? -10.65991 -5.19964  -24.01782 1.000 42.61985 ? 1024 HOH A O    1 
HETATM 1214 O O    . HOH E 3 .   ? -13.45506 -33.10118 -28.12628 1.000 34.71719 ? 1025 HOH A O    1 
HETATM 1215 O O    . HOH E 3 .   ? -12.23010 -12.68161 -38.94473 1.000 38.27103 ? 1026 HOH A O    1 
HETATM 1216 O O    . HOH E 3 .   ? 0.91146   -6.40882  -29.40766 1.000 42.07509 ? 1027 HOH A O    1 
HETATM 1217 O O    . HOH E 3 .   ? 10.15570  -23.09189 -21.32108 1.000 30.05124 ? 1028 HOH A O    1 
HETATM 1218 O O    . HOH E 3 .   ? -14.58162 -33.27322 -23.58124 1.000 40.98935 ? 1029 HOH A O    1 
HETATM 1219 O O    . HOH E 3 .   ? -12.66921 -5.06724  -22.47366 1.000 45.25707 ? 1030 HOH A O    1 
HETATM 1220 O O    . HOH E 3 .   ? -4.06313  -17.81354 -40.29889 1.000 39.70074 ? 1031 HOH A O    1 
HETATM 1221 O O    . HOH E 3 .   ? -8.61957  -32.36971 -35.34407 1.000 34.64136 ? 1032 HOH A O    1 
HETATM 1222 O O    . HOH E 3 .   ? 2.13529   -8.99217  -20.91037 1.000 40.40231 ? 1033 HOH A O    1 
HETATM 1223 O O    . HOH E 3 .   ? -14.80213 -31.65241 -29.15066 1.000 32.78436 ? 1034 HOH A O    1 
HETATM 1224 O O    . HOH E 3 .   ? 2.27946   -7.27833  -13.04266 1.000 51.26823 ? 1035 HOH A O    1 
HETATM 1225 O O    . HOH E 3 .   ? 10.41213  -29.93385 -16.77935 1.000 34.85598 ? 1036 HOH A O    1 
HETATM 1226 O O    . HOH E 3 .   ? 8.02266   -15.15341 -17.30142 1.000 40.09397 ? 1037 HOH A O    1 
HETATM 1227 O O    . HOH E 3 .   ? -4.18251  -5.30455  -20.92630 1.000 43.74827 ? 1038 HOH A O    1 
HETATM 1228 O O    . HOH E 3 .   ? 0.01275   -7.15254  -22.79940 1.000 42.95531 ? 1039 HOH A O    1 
HETATM 1229 O O    . HOH E 3 .   ? -2.27850  -7.47910  -16.43071 1.000 44.06385 ? 1040 HOH A O    1 
HETATM 1230 O O    . HOH E 3 .   ? 13.787    -27.488   -28.045   1.000 38.43224 ? 1041 HOH A O    1 
HETATM 1231 O O    . HOH E 3 .   ? -12.49669 -5.90778  -30.37691 1.000 38.44352 ? 1042 HOH A O    1 
HETATM 1232 O O    . HOH E 3 .   ? -6.90184  -33.52364 -33.48721 1.000 33.16369 ? 1043 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   . LYS A 39  ? 0.79999 0.77761 0.45512 -0.02632 -0.11697 0.06585  616 LYS A N   
2    C CA  . LYS A 39  ? 0.72638 0.70697 0.40909 -0.02183 -0.12602 0.04375  616 LYS A CA  
3    C C   . LYS A 39  ? 0.63546 0.62551 0.36759 -0.01478 -0.09948 0.03328  616 LYS A C   
4    O O   . LYS A 39  ? 0.61906 0.61343 0.39854 -0.00895 -0.10449 0.02364  616 LYS A O   
5    C CB  . LYS A 39  ? 0.76542 0.74718 0.41160 -0.02326 -0.12545 0.01826  616 LYS A CB  
6    C CG  . LYS A 39  ? 0.79289 0.77260 0.46919 -0.02146 -0.14697 -0.00004 616 LYS A CG  
7    C CD  . LYS A 39  ? 0.83675 0.81426 0.48104 -0.02325 -0.14595 -0.02775 616 LYS A CD  
8    C CE  . LYS A 39  ? 0.91532 0.89651 0.50879 -0.02649 -0.15076 -0.02383 616 LYS A CE  
9    N NZ  . LYS A 39  ? 0.95065 0.93763 0.50274 -0.02449 -0.12052 -0.02193 616 LYS A NZ  
10   N N   . ASN A 40  ? 0.54725 0.54240 0.26900 -0.01649 -0.07203 0.03620  617 ASN A N   
11   C CA  . ASN A 40  ? 0.50229 0.50592 0.26894 -0.01018 -0.05101 0.02819  617 ASN A CA  
12   C C   . ASN A 40  ? 0.46666 0.46702 0.27468 -0.00751 -0.05649 0.04549  617 ASN A C   
13   O O   . ASN A 40  ? 0.52121 0.51341 0.31745 -0.01250 -0.06168 0.06673  617 ASN A O   
14   C CB  . ASN A 40  ? 0.47433 0.48883 0.22337 -0.01246 -0.02157 0.02368  617 ASN A CB  
15   C CG  . ASN A 40  ? 0.43860 0.46177 0.23275 -0.00505 -0.00464 0.01266  617 ASN A CG  
16   O OD1 . ASN A 40  ? 0.46430 0.49197 0.28099 -0.00633 0.00534  0.02383  617 ASN A OD1 
17   N ND2 . ASN A 40  ? 0.43378 0.45642 0.24075 0.00184  -0.00448 -0.00847 617 ASN A ND2 
18   N N   . VAL A 41  ? 0.38058 0.38561 0.23509 0.00000  -0.05502 0.03610  618 VAL A N   
19   C CA  . VAL A 41  ? 0.35239 0.35552 0.24776 0.00531  -0.05996 0.04570  618 VAL A CA  
20   C C   . VAL A 41  ? 0.30036 0.30896 0.21718 0.00760  -0.03805 0.03978  618 VAL A C   
21   O O   . VAL A 41  ? 0.30742 0.32380 0.23084 0.00957  -0.02647 0.02496  618 VAL A O   
22   C CB  . VAL A 41  ? 0.34101 0.35006 0.27166 0.01140  -0.07627 0.03951  618 VAL A CB  
23   C CG1 . VAL A 41  ? 0.30356 0.31279 0.27496 0.01936  -0.08036 0.04689  618 VAL A CG1 
24   C CG2 . VAL A 41  ? 0.33567 0.34177 0.24506 0.00796  -0.10126 0.04267  618 VAL A CG2 
25   N N   . VAL A 42  ? 0.29594 0.29787 0.22283 0.00683  -0.03495 0.05164  619 VAL A N   
26   C CA  . VAL A 42  ? 0.25047 0.25685 0.19596 0.00759  -0.01804 0.04655  619 VAL A CA  
27   C C   . VAL A 42  ? 0.24148 0.24819 0.22370 0.01651  -0.02118 0.03983  619 VAL A C   
28   O O   . VAL A 42  ? 0.23061 0.22859 0.22869 0.02128  -0.03337 0.04606  619 VAL A O   
29   C CB  . VAL A 42  ? 0.27870 0.27733 0.21525 -0.00083 -0.01313 0.06143  619 VAL A CB  
30   C CG1 . VAL A 42  ? 0.26880 0.27250 0.22845 -0.00054 -0.00029 0.05490  619 VAL A CG1 
31   C CG2 . VAL A 42  ? 0.35094 0.35590 0.24929 -0.01105 -0.00469 0.06823  619 VAL A CG2 
32   N N   . ILE A 43  ? 0.21526 0.23216 0.21016 0.01934  -0.01013 0.02710  620 ILE A N   
33   C CA  . ILE A 43  ? 0.21782 0.23960 0.24064 0.02602  -0.00849 0.01967  620 ILE A CA  
34   C C   . ILE A 43  ? 0.23246 0.25332 0.25943 0.02555  0.00264  0.01641  620 ILE A C   
35   O O   . ILE A 43  ? 0.21419 0.23906 0.23092 0.02150  0.01098  0.01479  620 ILE A O   
36   C CB  . ILE A 43  ? 0.20008 0.23273 0.23043 0.02655  -0.00673 0.01080  620 ILE A CB  
37   C CG1 . ILE A 43  ? 0.21463 0.24824 0.23912 0.02455  -0.02048 0.01204  620 ILE A CG1 
38   C CG2 . ILE A 43  ? 0.20246 0.24404 0.25907 0.03127  -0.00203 0.00588  620 ILE A CG2 
39   C CD1 . ILE A 43  ? 0.21150 0.24641 0.25423 0.02918  -0.03493 0.01844  620 ILE A CD1 
40   N N   . TYR A 44  ? 0.20680 0.22322 0.24998 0.03056  0.00178  0.01372  621 TYR A N   
41   C CA  . TYR A 44  ? 0.21577 0.22974 0.26092 0.02974  0.00873  0.00858  621 TYR A CA  
42   C C   . TYR A 44  ? 0.22296 0.24564 0.27832 0.03558  0.01459  -0.00184 621 TYR A C   
43   O O   . TYR A 44  ? 0.21690 0.24189 0.28687 0.04277  0.01296  -0.00614 621 TYR A O   
44   C CB  . TYR A 44  ? 0.23792 0.23420 0.28725 0.02908  0.00214  0.01229  621 TYR A CB  
45   C CG  . TYR A 44  ? 0.22738 0.21906 0.27843 0.02686  0.00550  0.00508  621 TYR A CG  
46   C CD1 . TYR A 44  ? 0.23639 0.23473 0.28128 0.01806  0.00994  0.00792  621 TYR A CD1 
47   C CD2 . TYR A 44  ? 0.22316 0.20515 0.28297 0.03402  0.00331  -0.00613 621 TYR A CD2 
48   C CE1 . TYR A 44  ? 0.23934 0.23469 0.28736 0.01491  0.00899  0.00170  621 TYR A CE1 
49   C CE2 . TYR A 44  ? 0.26882 0.24439 0.32534 0.03089  0.00336  -0.01447 621 TYR A CE2 
50   C CZ  . TYR A 44  ? 0.25421 0.23629 0.30516 0.02042  0.00455  -0.00942 621 TYR A CZ  
51   O OH  . TYR A 44  ? 0.27145 0.24841 0.32097 0.01634  0.00073  -0.01748 621 TYR A OH  
52   N N   . ALA A 45  ? 0.19217 0.22084 0.24044 0.03271  0.02148  -0.00519 622 ALA A N   
53   C CA  . ALA A 45  ? 0.20932 0.24595 0.25887 0.03519  0.02814  -0.01183 622 ALA A CA  
54   C C   . ALA A 45  ? 0.23917 0.27052 0.27824 0.03329  0.02883  -0.01600 622 ALA A C   
55   O O   . ALA A 45  ? 0.27525 0.30757 0.30838 0.02888  0.02756  -0.01228 622 ALA A O   
56   C CB  . ALA A 45  ? 0.18656 0.23216 0.23451 0.03171  0.03141  -0.00843 622 ALA A CB  
57   N N   . ASP A 46  ? 0.27003 0.29608 0.30819 0.03735  0.02942  -0.02527 623 ASP A N   
58   C CA  . ASP A 46  ? 0.28522 0.30495 0.31039 0.03424  0.02657  -0.03070 623 ASP A CA  
59   C C   . ASP A 46  ? 0.32490 0.35316 0.33393 0.03530  0.03372  -0.03626 623 ASP A C   
60   O O   . ASP A 46  ? 0.29003 0.33006 0.30173 0.03833  0.04339  -0.03697 623 ASP A O   
61   C CB  . ASP A 46  ? 0.29475 0.29676 0.32373 0.03576  0.01935  -0.03891 623 ASP A CB  
62   C CG  . ASP A 46  ? 0.37577 0.37367 0.41000 0.04660  0.02333  -0.05217 623 ASP A CG  
63   O OD1 . ASP A 46  ? 0.39118 0.40574 0.42633 0.05185  0.03410  -0.05519 623 ASP A OD1 
64   O OD2 . ASP A 46  ? 0.33655 0.31457 0.37710 0.04984  0.01561  -0.05994 623 ASP A OD2 
65   N N   . GLY A 47  ? 0.28038 0.30457 0.27259 0.03122  0.02831  -0.03861 624 GLY A N   
66   C CA  . GLY A 47  ? 0.31818 0.34877 0.28660 0.03004  0.03335  -0.04054 624 GLY A CA  
67   C C   . GLY A 47  ? 0.31823 0.34301 0.26915 0.02466  0.02095  -0.03974 624 GLY A C   
68   O O   . GLY A 47  ? 0.26558 0.28572 0.22961 0.02156  0.00965  -0.03740 624 GLY A O   
69   N N   . VAL A 48  ? 0.27789 0.30550 0.19911 0.02261  0.02304  -0.04064 625 VAL A N   
70   C CA  . VAL A 48  ? 0.29675 0.31981 0.19835 0.01731  0.00762  -0.03714 625 VAL A CA  
71   C C   . VAL A 48  ? 0.28596 0.31327 0.19740 0.01476  0.00124  -0.01812 625 VAL A C   
72   O O   . VAL A 48  ? 0.27813 0.30465 0.19968 0.01333  -0.01437 -0.01355 625 VAL A O   
73   C CB  . VAL A 48  ? 0.36037 0.38264 0.21833 0.01553  0.01055  -0.04494 625 VAL A CB  
74   C CG1 . VAL A 48  ? 0.34133 0.35692 0.17676 0.00976  -0.01103 -0.04200 625 VAL A CG1 
75   C CG2 . VAL A 48  ? 0.36967 0.38750 0.22058 0.02177  0.02008  -0.06852 625 VAL A CG2 
76   N N   . TYR A 49  ? 0.29608 0.32809 0.20906 0.01446  0.01228  -0.00763 626 TYR A N   
77   C CA  . TYR A 49  ? 0.28414 0.31412 0.20649 0.01313  0.00546  0.00889  626 TYR A CA  
78   C C   . TYR A 49  ? 0.32658 0.35069 0.22731 0.01014  -0.01143 0.01826  626 TYR A C   
79   O O   . TYR A 49  ? 0.32680 0.34812 0.24486 0.01281  -0.02525 0.02687  626 TYR A O   
80   C CB  . TYR A 49  ? 0.23919 0.27060 0.19691 0.01777  0.00205  0.00822  626 TYR A CB  
81   C CG  . TYR A 49  ? 0.25511 0.29018 0.22869 0.01980  0.01498  0.00208  626 TYR A CG  
82   C CD1 . TYR A 49  ? 0.24128 0.27767 0.21916 0.01862  0.02367  0.00753  626 TYR A CD1 
83   C CD2 . TYR A 49  ? 0.26719 0.30301 0.25193 0.02159  0.01587  -0.00761 626 TYR A CD2 
84   C CE1 . TYR A 49  ? 0.26238 0.30333 0.25570 0.02054  0.03154  0.00238  626 TYR A CE1 
85   C CE2 . TYR A 49  ? 0.23143 0.26860 0.22895 0.02383  0.02397  -0.01071 626 TYR A CE2 
86   C CZ  . TYR A 49  ? 0.24692 0.28793 0.24853 0.02396  0.03108  -0.00624 626 TYR A CZ  
87   O OH  . TYR A 49  ? 0.25076 0.29423 0.26603 0.02626  0.03515  -0.00881 626 TYR A OH  
88   N N   . ASP A 50  ? 0.33084 0.35374 0.19268 0.00546  -0.01088 0.01615  627 ASP A N   
89   C CA  . ASP A 50  ? 0.36364 0.37958 0.19662 0.00126  -0.02916 0.02765  627 ASP A CA  
90   C C   . ASP A 50  ? 0.44172 0.45061 0.26682 -0.00315 -0.02944 0.05094  627 ASP A C   
91   O O   . ASP A 50  ? 0.41663 0.42886 0.23404 -0.00825 -0.01084 0.05598  627 ASP A O   
92   C CB  . ASP A 50  ? 0.39982 0.41567 0.18512 -0.00327 -0.02730 0.01662  627 ASP A CB  
93   C CG  . ASP A 50  ? 0.47292 0.48121 0.22831 -0.00718 -0.05317 0.02311  627 ASP A CG  
94   O OD1 . ASP A 50  ? 0.44509 0.45115 0.22744 -0.00440 -0.07448 0.03270  627 ASP A OD1 
95   O OD2 . ASP A 50  ? 0.52774 0.53391 0.23210 -0.01250 -0.05258 0.01754  627 ASP A OD2 
96   N N   . MET A 51  ? 0.38752 0.38662 0.21902 -0.00141 -0.05171 0.06566  628 MET A N   
97   C CA  . MET A 51  ? 0.41346 0.39805 0.23925 -0.00533 -0.05786 0.08988  628 MET A CA  
98   C C   . MET A 51  ? 0.42020 0.40414 0.27000 -0.00674 -0.03893 0.09180  628 MET A C   
99   O O   . MET A 51  ? 0.43382 0.41568 0.26447 -0.01730 -0.02641 0.10385  628 MET A O   
100  C CB  . MET A 51  ? 0.46963 0.44774 0.23841 -0.01720 -0.06064 0.10576  628 MET A CB  
101  C CG  . MET A 51  ? 0.50136 0.47651 0.24192 -0.01675 -0.08580 0.10608  628 MET A CG  
102  S SD  . MET A 51  ? 0.71340 0.68337 0.38620 -0.02806 -0.08308 0.11821  628 MET A SD  
103  C CE  . MET A 51  ? 0.67946 0.66832 0.32822 -0.03309 -0.04530 0.09694  628 MET A CE  
104  N N   . LEU A 52  ? 0.36077 0.34789 0.25327 0.00292  -0.03788 0.08017  629 LEU A N   
105  C CA  . LEU A 52  ? 0.33226 0.32050 0.24820 0.00254  -0.02230 0.07628  629 LEU A CA  
106  C C   . LEU A 52  ? 0.36372 0.33550 0.27427 -0.00644 -0.02305 0.09632  629 LEU A C   
107  O O   . LEU A 52  ? 0.35728 0.30924 0.26903 -0.00506 -0.04112 0.11138  629 LEU A O   
108  C CB  . LEU A 52  ? 0.31315 0.30256 0.26845 0.01434  -0.02663 0.06456  629 LEU A CB  
109  C CG  . LEU A 52  ? 0.30465 0.29875 0.28038 0.01520  -0.01204 0.05424  629 LEU A CG  
110  C CD1 . LEU A 52  ? 0.28868 0.29993 0.26147 0.01492  0.00082  0.04011  629 LEU A CD1 
111  C CD2 . LEU A 52  ? 0.35298 0.34286 0.35895 0.02596  -0.01820 0.04696  629 LEU A CD2 
112  N N   . HIS A 53  ? 0.35874 0.33852 0.26761 -0.01595 -0.00479 0.09722  630 HIS A N   
113  C CA  . HIS A 53  ? 0.40978 0.37559 0.31603 -0.02889 -0.00428 0.11781  630 HIS A CA  
114  C C   . HIS A 53  ? 0.32870 0.29968 0.26628 -0.03168 0.00675  0.11006  630 HIS A C   
115  O O   . HIS A 53  ? 0.30887 0.29297 0.26598 -0.02258 0.01278  0.09024  630 HIS A O   
116  C CB  . HIS A 53  ? 0.48459 0.45889 0.35025 -0.04416 0.00647  0.13372  630 HIS A CB  
117  C CG  . HIS A 53  ? 0.49568 0.50098 0.35216 -0.04533 0.03040  0.11747  630 HIS A CG  
118  N ND1 . HIS A 53  ? 0.47749 0.50127 0.36224 -0.04739 0.04789  0.10797  630 HIS A ND1 
119  C CD2 . HIS A 53  ? 0.51812 0.53801 0.34201 -0.04337 0.03801  0.10742  630 HIS A CD2 
120  C CE1 . HIS A 53  ? 0.51263 0.56176 0.38639 -0.04482 0.06587  0.09307  630 HIS A CE1 
121  N NE2 . HIS A 53  ? 0.52279 0.56862 0.35801 -0.04243 0.06110  0.09127  630 HIS A NE2 
122  N N   . LEU A 54  ? 0.39008 0.34897 0.33201 -0.04598 0.00697  0.12762  631 LEU A N   
123  C CA  . LEU A 54  ? 0.35664 0.31710 0.33044 -0.05053 0.01181  0.12119  631 LEU A CA  
124  C C   . LEU A 54  ? 0.34160 0.33719 0.32447 -0.05127 0.03203  0.10671  631 LEU A C   
125  O O   . LEU A 54  ? 0.31996 0.32095 0.32962 -0.04741 0.03229  0.09314  631 LEU A O   
126  C CB  . LEU A 54  ? 0.39300 0.33492 0.37057 -0.06991 0.00793  0.14483  631 LEU A CB  
127  C CG  . LEU A 54  ? 0.38432 0.32610 0.39635 -0.07849 0.00920  0.13952  631 LEU A CG  
128  C CD1 . LEU A 54  ? 0.39528 0.31155 0.42830 -0.06407 -0.00807 0.12215  631 LEU A CD1 
129  C CD2 . LEU A 54  ? 0.41936 0.34907 0.43456 -0.10343 0.00885  0.16634  631 LEU A CD2 
130  N N   . GLY A 55  ? 0.36414 0.38310 0.32450 -0.05498 0.04783  0.10823  632 GLY A N   
131  C CA  . GLY A 55  ? 0.36359 0.41490 0.33713 -0.05124 0.06574  0.09172  632 GLY A CA  
132  C C   . GLY A 55  ? 0.36549 0.41700 0.35202 -0.03356 0.05983  0.06976  632 GLY A C   
133  O O   . GLY A 55  ? 0.30124 0.36497 0.31433 -0.02999 0.06307  0.05878  632 GLY A O   
134  N N   . HIS A 56  ? 0.31845 0.35746 0.28682 -0.02367 0.05000  0.06484  633 HIS A N   
135  C CA  . HIS A 56  ? 0.31688 0.35495 0.29742 -0.01003 0.04421  0.04778  633 HIS A CA  
136  C C   . HIS A 56  ? 0.25769 0.28498 0.26303 -0.00739 0.03567  0.04484  633 HIS A C   
137  O O   . HIS A 56  ? 0.24665 0.28087 0.26646 -0.00128 0.03687  0.03284  633 HIS A O   
138  C CB  . HIS A 56  ? 0.29538 0.32262 0.25908 -0.00317 0.03261  0.04640  633 HIS A CB  
139  C CG  . HIS A 56  ? 0.34533 0.37956 0.27885 -0.00472 0.03673  0.04511  633 HIS A CG  
140  N ND1 . HIS A 56  ? 0.35515 0.37995 0.26021 -0.01033 0.02863  0.05886  633 HIS A ND1 
141  C CD2 . HIS A 56  ? 0.36817 0.41439 0.29322 -0.00045 0.04526  0.03017  633 HIS A CD2 
142  C CE1 . HIS A 56  ? 0.40738 0.44018 0.28366 -0.01049 0.03309  0.05149  633 HIS A CE1 
143  N NE2 . HIS A 56  ? 0.41990 0.46486 0.30914 -0.00397 0.04364  0.03259  633 HIS A NE2 
144  N N   . MET A 57  ? 0.26373 0.27075 0.27114 -0.01121 0.02513  0.05526  634 MET A N   
145  C CA  . MET A 57  ? 0.25350 0.24622 0.27972 -0.00692 0.01597  0.04849  634 MET A CA  
146  C C   . MET A 57  ? 0.26772 0.26947 0.31129 -0.01354 0.02026  0.04405  634 MET A C   
147  O O   . MET A 57  ? 0.22433 0.22526 0.27731 -0.00748 0.01644  0.03148  634 MET A O   
148  C CB  . MET A 57  ? 0.29657 0.26164 0.32353 -0.00919 0.00269  0.05978  634 MET A CB  
149  C CG  . MET A 57  ? 0.29468 0.25191 0.30990 -0.00072 -0.00613 0.06454  634 MET A CG  
150  S SD  . MET A 57  ? 0.31877 0.23994 0.33754 -0.00158 -0.02534 0.08087  634 MET A SD  
151  C CE  . MET A 57  ? 0.32381 0.24752 0.32923 0.00866  -0.03634 0.08665  634 MET A CE  
152  N N   . LYS A 58  ? 0.25372 0.26582 0.30184 -0.02707 0.02758  0.05515  635 LYS A N   
153  C CA  . LYS A 58  ? 0.23361 0.25988 0.30550 -0.03455 0.03002  0.05191  635 LYS A CA  
154  C C   . LYS A 58  ? 0.23738 0.28806 0.31663 -0.02537 0.03726  0.03888  635 LYS A C   
155  O O   . LYS A 58  ? 0.25937 0.31585 0.35658 -0.02476 0.03160  0.03137  635 LYS A O   
156  C CB  . LYS A 58  ? 0.25681 0.29507 0.33696 -0.05263 0.03877  0.06846  635 LYS A CB  
157  C CG  . LYS A 58  ? 0.28684 0.29492 0.36464 -0.06507 0.02764  0.08459  635 LYS A CG  
158  C CD  . LYS A 58  ? 0.37469 0.39640 0.45638 -0.08637 0.03891  0.10574  635 LYS A CD  
159  C CE  . LYS A 58  ? 0.37802 0.43283 0.49399 -0.09619 0.04794  0.10224  635 LYS A CE  
160  N NZ  . LYS A 58  ? 0.46129 0.53852 0.58314 -0.11786 0.06433  0.12321  635 LYS A NZ  
161  N N   . GLN A 59  ? 0.23703 0.29943 0.30206 -0.01825 0.04716  0.03602  636 GLN A N   
162  C CA  . GLN A 59  ? 0.22786 0.30604 0.30081 -0.00801 0.05115  0.02367  636 GLN A CA  
163  C C   . GLN A 59  ? 0.24146 0.30515 0.31107 0.00105  0.03987  0.01523  636 GLN A C   
164  O O   . GLN A 59  ? 0.19476 0.26495 0.27603 0.00544  0.03620  0.00898  636 GLN A O   
165  C CB  . GLN A 59  ? 0.29596 0.38316 0.35209 -0.00228 0.06210  0.01977  636 GLN A CB  
166  C CG  . GLN A 59  ? 0.38518 0.49942 0.45112 -0.00531 0.07840  0.01915  636 GLN A CG  
167  C CD  . GLN A 59  ? 0.44543 0.56532 0.49298 0.00371  0.08780  0.00842  636 GLN A CD  
168  O OE1 . GLN A 59  ? 0.48339 0.59436 0.50006 0.00123  0.08933  0.01156  636 GLN A OE1 
169  N NE2 . GLN A 59  ? 0.40183 0.53389 0.46804 0.01479  0.09142  -0.00500 636 GLN A NE2 
170  N N   . LEU A 60  ? 0.21341 0.25942 0.26742 0.00400  0.03446  0.01587  637 LEU A N   
171  C CA  . LEU A 60  ? 0.18428 0.22142 0.23524 0.01127  0.02766  0.00816  637 LEU A CA  
172  C C   . LEU A 60  ? 0.20179 0.23204 0.26056 0.00856  0.01964  0.00451  637 LEU A C   
173  O O   . LEU A 60  ? 0.20410 0.23547 0.26045 0.01238  0.01598  -0.00198 637 LEU A O   
174  C CB  . LEU A 60  ? 0.19368 0.21957 0.23408 0.01571  0.02480  0.00880  637 LEU A CB  
175  C CG  . LEU A 60  ? 0.18529 0.21682 0.21569 0.01812  0.02825  0.01007  637 LEU A CG  
176  C CD1 . LEU A 60  ? 0.23025 0.25272 0.25673 0.02142  0.02142  0.01308  637 LEU A CD1 
177  C CD2 . LEU A 60  ? 0.21689 0.25501 0.24845 0.02257  0.03014  0.00291  637 LEU A CD2 
178  N N   . GLU A 61  ? 0.20055 0.22136 0.26618 0.00064  0.01532  0.00913  638 GLU A N   
179  C CA  . GLU A 61  ? 0.20915 0.22097 0.28240 -0.00368 0.00499  0.00340  638 GLU A CA  
180  C C   . GLU A 61  ? 0.21962 0.25020 0.30628 -0.00670 0.00304  0.00178  638 GLU A C   
181  O O   . GLU A 61  ? 0.20168 0.22900 0.28441 -0.00488 -0.00648 -0.00621 638 GLU A O   
182  C CB  . GLU A 61  ? 0.23501 0.23131 0.31785 -0.01468 -0.00072 0.01074  638 GLU A CB  
183  C CG  . GLU A 61  ? 0.24809 0.23173 0.34004 -0.02110 -0.01443 0.00269  638 GLU A CG  
184  C CD  . GLU A 61  ? 0.30927 0.27494 0.41522 -0.03529 -0.02180 0.01178  638 GLU A CD  
185  O OE1 . GLU A 61  ? 0.32515 0.29554 0.43501 -0.04308 -0.01394 0.02829  638 GLU A OE1 
186  O OE2 . GLU A 61  ? 0.32555 0.27094 0.43649 -0.03995 -0.03617 0.00269  638 GLU A OE2 
187  N N   . GLN A 62  ? 0.18718 0.23875 0.28931 -0.01045 0.01161  0.00883  639 GLN A N   
188  C CA  . GLN A 62  ? 0.18425 0.25732 0.30799 -0.01081 0.00893  0.00720  639 GLN A CA  
189  C C   . GLN A 62  ? 0.19472 0.26740 0.30758 0.00079  0.00494  0.00119  639 GLN A C   
190  O O   . GLN A 62  ? 0.20292 0.27846 0.32177 0.00139  -0.00741 -0.00149 639 GLN A O   
191  C CB  . GLN A 62  ? 0.19410 0.29356 0.33794 -0.01373 0.02326  0.01315  639 GLN A CB  
192  C CG  . GLN A 62  ? 0.22626 0.35277 0.40450 -0.01371 0.01991  0.01136  639 GLN A CG  
193  C CD  . GLN A 62  ? 0.26554 0.42407 0.46757 -0.01536 0.03810  0.01449  639 GLN A CD  
194  O OE1 . GLN A 62  ? 0.28231 0.44086 0.46819 -0.01864 0.05331  0.01904  639 GLN A OE1 
195  N NE2 . GLN A 62  ? 0.26548 0.45348 0.50600 -0.01257 0.03650  0.01170  639 GLN A NE2 
196  N N   . ALA A 63  ? 0.18487 0.25317 0.28149 0.00854  0.01340  0.00063  640 ALA A N   
197  C CA  . ALA A 63  ? 0.19183 0.25638 0.27806 0.01668  0.00969  -0.00190 640 ALA A CA  
198  C C   . ALA A 63  ? 0.19601 0.24704 0.26348 0.01580  -0.00027 -0.00490 640 ALA A C   
199  O O   . ALA A 63  ? 0.19827 0.24926 0.26132 0.01749  -0.00972 -0.00421 640 ALA A O   
200  C CB  . ALA A 63  ? 0.18795 0.24749 0.26093 0.02166  0.01895  -0.00214 640 ALA A CB  
201  N N   . LYS A 64  ? 0.17485 0.21374 0.22967 0.01386  0.00140  -0.00861 641 LYS A N   
202  C CA  . LYS A 64  ? 0.17787 0.20542 0.21191 0.01482  -0.00416 -0.01573 641 LYS A CA  
203  C C   . LYS A 64  ? 0.22877 0.25470 0.26302 0.00979  -0.01883 -0.01945 641 LYS A C   
204  O O   . LYS A 64  ? 0.23592 0.25711 0.24756 0.01068  -0.02541 -0.02362 641 LYS A O   
205  C CB  . LYS A 64  ? 0.18579 0.20081 0.21473 0.01644  -0.00021 -0.02176 641 LYS A CB  
206  C CG  . LYS A 64  ? 0.21897 0.22293 0.22860 0.01908  -0.00400 -0.03421 641 LYS A CG  
207  C CD  . LYS A 64  ? 0.25745 0.26893 0.24681 0.02377  0.00389  -0.03552 641 LYS A CD  
208  C CE  . LYS A 64  ? 0.28474 0.28876 0.24936 0.02629  0.00275  -0.05028 641 LYS A CE  
209  N NZ  . LYS A 64  ? 0.28489 0.29966 0.22476 0.02701  0.01138  -0.04884 641 LYS A NZ  
210  N N   . LYS A 65  ? 0.20618 0.23764 0.26498 0.00298  -0.02453 -0.01729 642 LYS A N   
211  C CA  . LYS A 65  ? 0.19541 0.22596 0.26065 -0.00426 -0.04173 -0.02151 642 LYS A CA  
212  C C   . LYS A 65  ? 0.21308 0.26352 0.29876 -0.00434 -0.05128 -0.01508 642 LYS A C   
213  O O   . LYS A 65  ? 0.23139 0.28749 0.33306 -0.01160 -0.06753 -0.01669 642 LYS A O   
214  C CB  . LYS A 65  ? 0.24592 0.27058 0.33160 -0.01452 -0.04448 -0.02203 642 LYS A CB  
215  C CG  . LYS A 65  ? 0.23811 0.23608 0.30461 -0.01286 -0.04310 -0.03104 642 LYS A CG  
216  C CD  . LYS A 65  ? 0.30436 0.28950 0.39131 -0.02456 -0.04918 -0.02891 642 LYS A CD  
217  C CE  . LYS A 65  ? 0.33776 0.29264 0.40936 -0.01930 -0.04941 -0.03813 642 LYS A CE  
218  N NZ  . LYS A 65  ? 0.31609 0.25150 0.40773 -0.03147 -0.05681 -0.03235 642 LYS A NZ  
219  N N   . LEU A 66  ? 0.21853 0.27815 0.30613 0.00406  -0.04419 -0.00863 643 LEU A N   
220  C CA  . LEU A 66  ? 0.17791 0.25473 0.29048 0.00741  -0.05475 -0.00313 643 LEU A CA  
221  C C   . LEU A 66  ? 0.23281 0.30310 0.32851 0.00588  -0.07766 -0.00310 643 LEU A C   
222  O O   . LEU A 66  ? 0.21653 0.30172 0.33926 0.00565  -0.09432 0.00026  643 LEU A O   
223  C CB  . LEU A 66  ? 0.21567 0.29525 0.33073 0.01797  -0.04430 0.00175  643 LEU A CB  
224  C CG  . LEU A 66  ? 0.18977 0.28093 0.32401 0.02033  -0.02481 0.00075  643 LEU A CG  
225  C CD1 . LEU A 66  ? 0.17229 0.25699 0.29903 0.03021  -0.01753 0.00179  643 LEU A CD1 
226  C CD2 . LEU A 66  ? 0.18603 0.30490 0.36383 0.01912  -0.02462 0.00092  643 LEU A CD2 
227  N N   . PHE A 67  ? 0.24813 0.29877 0.29941 0.00503  -0.07890 -0.00684 644 PHE A N   
228  C CA  . PHE A 67  ? 0.25707 0.29913 0.27894 0.00199  -0.09946 -0.00770 644 PHE A CA  
229  C C   . PHE A 67  ? 0.29088 0.31564 0.27577 -0.00263 -0.09678 -0.02191 644 PHE A C   
230  O O   . PHE A 67  ? 0.28933 0.30799 0.27402 -0.00135 -0.07943 -0.02881 644 PHE A O   
231  C CB  . PHE A 67  ? 0.29176 0.32851 0.28994 0.00737  -0.10251 0.00467  644 PHE A CB  
232  C CG  . PHE A 67  ? 0.26840 0.31698 0.30485 0.01485  -0.10805 0.01606  644 PHE A CG  
233  C CD1 . PHE A 67  ? 0.30024 0.35714 0.35586 0.01622  -0.13362 0.02234  644 PHE A CD1 
234  C CD2 . PHE A 67  ? 0.25408 0.30533 0.30902 0.02168  -0.08930 0.01859  644 PHE A CD2 
235  C CE1 . PHE A 67  ? 0.28781 0.35620 0.38473 0.02658  -0.13880 0.03045  644 PHE A CE1 
236  C CE2 . PHE A 67  ? 0.23999 0.30002 0.33056 0.03105  -0.09396 0.02475  644 PHE A CE2 
237  C CZ  . PHE A 67  ? 0.22077 0.28970 0.33434 0.03458  -0.11765 0.03030  644 PHE A CZ  
238  N N   . GLU A 68  ? 0.33916 0.35525 0.29212 -0.00699 -0.11569 -0.02739 645 GLU A N   
239  C CA  . GLU A 68  ? 0.38869 0.38738 0.30670 -0.01006 -0.11528 -0.04620 645 GLU A CA  
240  C C   . GLU A 68  ? 0.42476 0.41736 0.31136 -0.00347 -0.09053 -0.05051 645 GLU A C   
241  O O   . GLU A 68  ? 0.39239 0.37577 0.27796 -0.00070 -0.07848 -0.06496 645 GLU A O   
242  C CB  . GLU A 68  ? 0.46108 0.45218 0.34274 -0.01584 -0.14107 -0.05202 645 GLU A CB  
243  C CG  . GLU A 68  ? 0.50296 0.47413 0.34396 -0.01774 -0.14163 -0.07627 645 GLU A CG  
244  C CD  . GLU A 68  ? 0.65905 0.62161 0.45676 -0.02437 -0.16905 -0.08401 645 GLU A CD  
245  O OE1 . GLU A 68  ? 0.71247 0.68484 0.50849 -0.02706 -0.18803 -0.06683 645 GLU A OE1 
246  O OE2 . GLU A 68  ? 0.74925 0.69472 0.51583 -0.02623 -0.17164 -0.10741 645 GLU A OE2 
247  N N   . ASN A 69  ? 0.38045 0.37834 0.24457 -0.00125 -0.08395 -0.03729 646 ASN A N   
248  C CA  . ASN A 69  ? 0.40277 0.40139 0.23992 0.00247  -0.06053 -0.03860 646 ASN A CA  
249  C C   . ASN A 69  ? 0.38237 0.39035 0.24497 0.00498  -0.04875 -0.02040 646 ASN A C   
250  O O   . ASN A 69  ? 0.36545 0.37442 0.22647 0.00304  -0.05851 -0.00344 646 ASN A O   
251  C CB  . ASN A 69  ? 0.44164 0.43712 0.22141 -0.00147 -0.06339 -0.03841 646 ASN A CB  
252  C CG  . ASN A 69  ? 0.57151 0.55544 0.31830 -0.00303 -0.07375 -0.06177 646 ASN A CG  
253  O OD1 . ASN A 69  ? 0.65696 0.63511 0.36727 -0.00896 -0.09379 -0.06128 646 ASN A OD1 
254  N ND2 . ASN A 69  ? 0.48528 0.46300 0.24446 0.00254  -0.06282 -0.08288 646 ASN A ND2 
255  N N   . THR A 70  ? 0.34473 0.35687 0.23034 0.00954  -0.03052 -0.02422 647 THR A N   
256  C CA  . THR A 70  ? 0.30387 0.32280 0.21245 0.01140  -0.02067 -0.01059 647 THR A CA  
257  C C   . THR A 70  ? 0.31542 0.34049 0.21885 0.01347  0.00044  -0.01349 647 THR A C   
258  O O   . THR A 70  ? 0.30914 0.33508 0.20321 0.01679  0.00943  -0.02813 647 THR A O   
259  C CB  . THR A 70  ? 0.28095 0.30306 0.23118 0.01419  -0.02196 -0.01013 647 THR A CB  
260  O OG1 . THR A 70  ? 0.27803 0.29770 0.23686 0.01614  -0.01398 -0.02213 647 THR A OG1 
261  C CG2 . THR A 70  ? 0.24513 0.26925 0.21293 0.01224  -0.04080 -0.00751 647 THR A CG2 
262  N N   . THR A 71  ? 0.28045 0.30986 0.19469 0.01201  0.00683  -0.00032 648 THR A N   
263  C CA  . THR A 71  ? 0.27293 0.31133 0.20126 0.01357  0.02311  -0.00126 648 THR A CA  
264  C C   . THR A 71  ? 0.24401 0.28031 0.20371 0.01609  0.02006  0.00279  648 THR A C   
265  O O   . THR A 71  ? 0.25255 0.28359 0.21894 0.01447  0.01276  0.01300  648 THR A O   
266  C CB  . THR A 71  ? 0.29237 0.33776 0.20559 0.00637  0.03259  0.01067  648 THR A CB  
267  O OG1 . THR A 71  ? 0.31520 0.36558 0.19288 0.00334  0.03848  0.00676  648 THR A OG1 
268  C CG2 . THR A 71  ? 0.26217 0.32093 0.19788 0.00698  0.04703  0.00915  648 THR A CG2 
269  N N   . LEU A 72  ? 0.20063 0.23947 0.17770 0.02065  0.02486  -0.00547 649 LEU A N   
270  C CA  . LEU A 72  ? 0.18188 0.22001 0.18090 0.02232  0.02370  -0.00269 649 LEU A CA  
271  C C   . LEU A 72  ? 0.18750 0.23161 0.19393 0.02144  0.03135  -0.00008 649 LEU A C   
272  O O   . LEU A 72  ? 0.20335 0.25478 0.21399 0.02384  0.03776  -0.00527 649 LEU A O   
273  C CB  . LEU A 72  ? 0.18603 0.22178 0.19612 0.02502  0.02203  -0.00905 649 LEU A CB  
274  C CG  . LEU A 72  ? 0.17879 0.21616 0.20374 0.02566  0.02351  -0.00586 649 LEU A CG  
275  C CD1 . LEU A 72  ? 0.18734 0.22614 0.21967 0.02560  0.01998  -0.00210 649 LEU A CD1 
276  C CD2 . LEU A 72  ? 0.19188 0.22599 0.22356 0.02533  0.02252  -0.00783 649 LEU A CD2 
277  N N   . ILE A 73  ? 0.20319 0.24360 0.21446 0.01841  0.02875  0.00712  650 ILE A N   
278  C CA  . ILE A 73  ? 0.19226 0.23602 0.21364 0.01535  0.03193  0.00917  650 ILE A CA  
279  C C   . ILE A 73  ? 0.19930 0.23886 0.23046 0.01916  0.02846  0.00442  650 ILE A C   
280  O O   . ILE A 73  ? 0.20728 0.23966 0.24004 0.02190  0.02443  0.00354  650 ILE A O   
281  C CB  . ILE A 73  ? 0.18497 0.22157 0.20415 0.00783  0.02915  0.01952  650 ILE A CB  
282  C CG1 . ILE A 73  ? 0.19755 0.23749 0.19803 0.00225  0.03267  0.02745  650 ILE A CG1 
283  C CG2 . ILE A 73  ? 0.20701 0.24789 0.23995 0.00177  0.03088  0.02091  650 ILE A CG2 
284  C CD1 . ILE A 73  ? 0.24020 0.26932 0.23581 -0.00777 0.02840  0.04287  650 ILE A CD1 
285  N N   . VAL A 74  ? 0.17197 0.21778 0.20954 0.01980  0.02992  0.00123  651 VAL A N   
286  C CA  . VAL A 74  ? 0.15833 0.20045 0.19677 0.02188  0.02659  -0.00243 651 VAL A CA  
287  C C   . VAL A 74  ? 0.19833 0.23870 0.24158 0.01739  0.02223  -0.00309 651 VAL A C   
288  O O   . VAL A 74  ? 0.19487 0.24463 0.24790 0.01327  0.02210  -0.00063 651 VAL A O   
289  C CB  . VAL A 74  ? 0.21781 0.26397 0.25633 0.02514  0.02647  -0.00346 651 VAL A CB  
290  C CG1 . VAL A 74  ? 0.22940 0.27217 0.26107 0.02502  0.02292  -0.00452 651 VAL A CG1 
291  C CG2 . VAL A 74  ? 0.22299 0.26640 0.25861 0.02740  0.02849  -0.00364 651 VAL A CG2 
292  N N   . GLY A 75  ? 0.20932 0.23893 0.24821 0.01818  0.01864  -0.00799 652 GLY A N   
293  C CA  . GLY A 75  ? 0.20582 0.22873 0.24697 0.01346  0.01143  -0.01199 652 GLY A CA  
294  C C   . GLY A 75  ? 0.22425 0.24829 0.25380 0.01544  0.00780  -0.01878 652 GLY A C   
295  O O   . GLY A 75  ? 0.21937 0.24272 0.23611 0.02058  0.01253  -0.02252 652 GLY A O   
296  N N   . VAL A 76  ? 0.20680 0.23435 0.24081 0.01002  -0.00118 -0.01935 653 VAL A N   
297  C CA  . VAL A 76  ? 0.19366 0.22246 0.21287 0.01061  -0.00877 -0.02318 653 VAL A CA  
298  C C   . VAL A 76  ? 0.24167 0.25812 0.25366 0.00556  -0.01999 -0.03402 653 VAL A C   
299  O O   . VAL A 76  ? 0.23938 0.25569 0.27012 -0.00247 -0.02838 -0.03321 653 VAL A O   
300  C CB  . VAL A 76  ? 0.19955 0.24370 0.23230 0.01007  -0.01480 -0.01523 653 VAL A CB  
301  C CG1 . VAL A 76  ? 0.22982 0.27199 0.24222 0.01104  -0.02541 -0.01545 653 VAL A CG1 
302  C CG2 . VAL A 76  ? 0.20282 0.25471 0.24499 0.01559  -0.00427 -0.00833 653 VAL A CG2 
303  N N   . THR A 77  ? 0.27346 0.28011 0.25831 0.00924  -0.01972 -0.04497 654 THR A N   
304  C CA  . THR A 77  ? 0.29167 0.28132 0.26551 0.00632  -0.02988 -0.06067 654 THR A CA  
305  C C   . THR A 77  ? 0.30119 0.29323 0.27199 -0.00223 -0.04918 -0.06183 654 THR A C   
306  O O   . THR A 77  ? 0.32622 0.33177 0.29105 -0.00249 -0.05442 -0.05294 654 THR A O   
307  C CB  . THR A 77  ? 0.32588 0.30796 0.26867 0.01432  -0.02117 -0.07552 654 THR A CB  
308  O OG1 . THR A 77  ? 0.33407 0.32902 0.25216 0.01485  -0.01738 -0.06882 654 THR A OG1 
309  C CG2 . THR A 77  ? 0.32180 0.30304 0.27692 0.02332  -0.00536 -0.07700 654 THR A CG2 
310  N N   . SER A 78  ? 0.29753 0.27418 0.27377 -0.00943 -0.06262 -0.07300 655 SER A N   
311  C CA  . SER A 78  ? 0.34101 0.32066 0.31925 -0.01948 -0.08472 -0.07530 655 SER A CA  
312  C C   . SER A 78  ? 0.36921 0.34403 0.30209 -0.01671 -0.09338 -0.08609 655 SER A C   
313  O O   . SER A 78  ? 0.40395 0.36885 0.30281 -0.00867 -0.08131 -0.09741 655 SER A O   
314  C CB  . SER A 78  ? 0.39172 0.35235 0.38796 -0.03053 -0.09871 -0.08520 655 SER A CB  
315  O OG  . SER A 78  ? 0.42666 0.35817 0.39380 -0.02557 -0.10021 -0.10759 655 SER A OG  
316  N N   . ASP A 79  ? 0.38432 0.36867 0.31725 -0.02389 -0.11490 -0.08209 656 ASP A N   
317  C CA  . ASP A 79  ? 0.41484 0.39384 0.29877 -0.02345 -0.12728 -0.08958 656 ASP A CA  
318  C C   . ASP A 79  ? 0.48902 0.44173 0.33740 -0.02458 -0.13201 -0.11699 656 ASP A C   
319  O O   . ASP A 79  ? 0.52288 0.46852 0.32279 -0.01798 -0.12166 -0.12803 656 ASP A O   
320  C CB  . ASP A 79  ? 0.45825 0.45160 0.35458 -0.03115 -0.15540 -0.07987 656 ASP A CB  
321  C CG  . ASP A 79  ? 0.46928 0.48546 0.38715 -0.02515 -0.15179 -0.05597 656 ASP A CG  
322  O OD1 . ASP A 79  ? 0.44586 0.46092 0.34073 -0.01695 -0.13409 -0.04775 656 ASP A OD1 
323  O OD2 . ASP A 79  ? 0.48867 0.52431 0.44941 -0.02865 -0.16740 -0.04619 656 ASP A OD2 
324  N N   . ASN A 80  ? 0.47104 0.40893 0.34364 -0.03337 -0.14703 -0.12894 657 ASN A N   
325  C CA  . ASN A 80  ? 0.53991 0.44833 0.38158 -0.03443 -0.15521 -0.15756 657 ASN A CA  
326  C C   . ASN A 80  ? 0.56546 0.45956 0.38842 -0.01983 -0.12893 -0.17238 657 ASN A C   
327  O O   . ASN A 80  ? 0.57039 0.45681 0.35255 -0.01469 -0.11885 -0.18826 657 ASN A O   
328  C CB  . ASN A 80  ? 0.56894 0.46429 0.45192 -0.04802 -0.17128 -0.16057 657 ASN A CB  
329  C CG  . ASN A 80  ? 0.65730 0.57006 0.55731 -0.06236 -0.19602 -0.15077 657 ASN A CG  
330  O OD1 . ASN A 80  ? 0.69842 0.63235 0.58294 -0.06100 -0.20321 -0.14013 657 ASN A OD1 
331  N ND2 . ASN A 80  ? 0.70661 0.61102 0.64118 -0.07587 -0.20901 -0.15262 657 ASN A ND2 
332  N N   . GLU A 81  ? 0.53365 0.43105 0.39384 -0.01440 -0.11180 -0.16106 658 GLU A N   
333  C CA  . GLU A 81  ? 0.55085 0.43675 0.40495 0.00031  -0.08993 -0.17444 658 GLU A CA  
334  C C   . GLU A 81  ? 0.54185 0.44851 0.36208 0.01099  -0.06727 -0.17240 658 GLU A C   
335  O O   . GLU A 81  ? 0.55444 0.45572 0.35216 0.02119  -0.05118 -0.19007 658 GLU A O   
336  C CB  . GLU A 81  ? 0.49705 0.38185 0.39964 0.00145  -0.08131 -0.15872 658 GLU A CB  
337  C CG  . GLU A 81  ? 0.52334 0.37922 0.45449 -0.00879 -0.10042 -0.16442 658 GLU A CG  
338  C CD  . GLU A 81  ? 0.49446 0.35154 0.46870 -0.01222 -0.09427 -0.14220 658 GLU A CD  
339  O OE1 . GLU A 81  ? 0.48038 0.36652 0.46940 -0.01521 -0.08494 -0.11870 658 GLU A OE1 
340  O OE2 . GLU A 81  ? 0.51454 0.34120 0.50560 -0.01179 -0.09980 -0.14859 658 GLU A OE2 
341  N N   . THR A 82  ? 0.49955 0.43129 0.32030 0.00706  -0.06394 -0.14752 659 THR A N   
342  C CA  . THR A 82  ? 0.52924 0.47871 0.31688 0.01281  -0.04493 -0.14189 659 THR A CA  
343  C C   . THR A 82  ? 0.61098 0.55415 0.33887 0.01186  -0.04953 -0.16062 659 THR A C   
344  O O   . THR A 82  ? 0.65522 0.60268 0.35993 0.01672  -0.02602 -0.16713 659 THR A O   
345  C CB  . THR A 82  ? 0.48635 0.45613 0.28593 0.00762  -0.04632 -0.11175 659 THR A CB  
346  O OG1 . THR A 82  ? 0.41275 0.38835 0.26240 0.00858  -0.04161 -0.09770 659 THR A OG1 
347  C CG2 . THR A 82  ? 0.50471 0.48945 0.27442 0.01085  -0.02637 -0.10261 659 THR A CG2 
348  N N   . LYS A 83  ? 0.60309 0.53787 0.31630 0.00073  -0.07613 -0.16108 660 LYS A N   
349  C CA  . LYS A 83  ? 0.63930 0.56946 0.30319 -0.00614 -0.07813 -0.17151 660 LYS A CA  
350  C C   . LYS A 83  ? 0.66741 0.57777 0.32335 -0.00118 -0.06498 -0.19926 660 LYS A C   
351  O O   . LYS A 83  ? 0.70085 0.61042 0.31499 -0.00027 -0.04782 -0.20919 660 LYS A O   
352  C CB  . LYS A 83  ? 0.65608 0.58475 0.31663 -0.01900 -0.11157 -0.16768 660 LYS A CB  
353  C CG  . LYS A 83  ? 0.70185 0.64759 0.37888 -0.02232 -0.12854 -0.13901 660 LYS A CG  
354  C CD  . LYS A 83  ? 0.79744 0.75579 0.43585 -0.02910 -0.14217 -0.12709 660 LYS A CD  
355  C CE  . LYS A 83  ? 0.80111 0.77317 0.40667 -0.02464 -0.12115 -0.10987 660 LYS A CE  
356  N NZ  . LYS A 83  ? 0.79369 0.77778 0.37037 -0.02791 -0.13750 -0.09073 660 LYS A NZ  
357  N N   . LEU A 84  ? 0.65130 0.54305 0.34738 0.00189  -0.07267 -0.21047 661 LEU A N   
358  C CA  . LEU A 84  ? 0.70008 0.56795 0.39285 0.00778  -0.06487 -0.23611 661 LEU A CA  
359  C C   . LEU A 84  ? 0.71133 0.58586 0.40464 0.02358  -0.03231 -0.24074 661 LEU A C   
360  O O   . LEU A 84  ? 0.76627 0.63237 0.43011 0.02897  -0.01778 -0.25930 661 LEU A O   
361  C CB  . LEU A 84  ? 0.69391 0.53847 0.43337 0.00559  -0.08274 -0.24077 661 LEU A CB  
362  C CG  . LEU A 84  ? 0.75903 0.57316 0.49886 0.01142  -0.08058 -0.26616 661 LEU A CG  
363  C CD1 . LEU A 84  ? 0.78361 0.58557 0.48124 0.00137  -0.09407 -0.28495 661 LEU A CD1 
364  C CD2 . LEU A 84  ? 0.75119 0.54261 0.54256 0.00954  -0.09476 -0.26276 661 LEU A CD2 
365  N N   . PHE A 85  ? 0.66985 0.56095 0.39849 0.03112  -0.02066 -0.22427 662 PHE A N   
366  C CA  . PHE A 85  ? 0.70318 0.60279 0.44925 0.04611  0.00633  -0.22699 662 PHE A CA  
367  C C   . PHE A 85  ? 0.70752 0.63732 0.43485 0.04759  0.02999  -0.21215 662 PHE A C   
368  O O   . PHE A 85  ? 0.76307 0.70126 0.49138 0.05792  0.05347  -0.21814 662 PHE A O   
369  C CB  . PHE A 85  ? 0.64705 0.54400 0.44912 0.05276  0.00325  -0.21834 662 PHE A CB  
370  C CG  . PHE A 85  ? 0.67303 0.53666 0.49833 0.05128  -0.01705 -0.22948 662 PHE A CG  
371  C CD1 . PHE A 85  ? 0.71458 0.55378 0.52448 0.05476  -0.01907 -0.25273 662 PHE A CD1 
372  C CD2 . PHE A 85  ? 0.60518 0.46041 0.46695 0.04497  -0.03387 -0.21580 662 PHE A CD2 
373  C CE1 . PHE A 85  ? 0.73622 0.54273 0.56864 0.05167  -0.03875 -0.26079 662 PHE A CE1 
374  C CE2 . PHE A 85  ? 0.65934 0.48280 0.54327 0.04008  -0.05236 -0.22127 662 PHE A CE2 
375  C CZ  . PHE A 85  ? 0.71504 0.51392 0.58512 0.04334  -0.05550 -0.24313 662 PHE A CZ  
376  N N   . LYS A 86  ? 0.65742 0.67536 0.52028 0.12824  0.17378  -0.15105 663 LYS A N   
377  C CA  . LYS A 86  ? 0.63595 0.72219 0.55255 0.11385  0.17098  -0.16356 663 LYS A CA  
378  C C   . LYS A 86  ? 0.67812 0.74571 0.57549 0.06623  0.18023  -0.15665 663 LYS A C   
379  O O   . LYS A 86  ? 0.73235 0.81697 0.64026 0.05794  0.20365  -0.16923 663 LYS A O   
380  C CB  . LYS A 86  ? 0.59551 0.73526 0.56596 0.12254  0.14572  -0.16206 663 LYS A CB  
381  C CG  . LYS A 86  ? 0.61538 0.83682 0.66220 0.12194  0.15161  -0.19093 663 LYS A CG  
382  C CD  . LYS A 86  ? 0.55817 0.83845 0.66589 0.12964  0.12674  -0.19772 663 LYS A CD  
383  C CE  . LYS A 86  ? 0.56864 0.92807 0.76225 0.13005  0.13351  -0.23502 663 LYS A CE  
384  N NZ  . LYS A 86  ? 0.54467 0.94137 0.79874 0.10498  0.12138  -0.23932 663 LYS A NZ  
385  N N   . GLY A 87  ? 0.66247 0.69583 0.52837 0.04025  0.16473  -0.13833 664 GLY A N   
386  C CA  . GLY A 87  ? 0.71529 0.73031 0.54628 0.00946  0.17103  -0.13159 664 GLY A CA  
387  C C   . GLY A 87  ? 0.69411 0.70992 0.52260 -0.00941 0.14685  -0.11337 664 GLY A C   
388  O O   . GLY A 87  ? 0.65946 0.68143 0.50920 -0.00403 0.12436  -0.10622 664 GLY A O   
389  N N   . GLN A 88  ? 0.73026 0.73673 0.52616 -0.02593 0.15494  -0.10445 665 GLN A N   
390  C CA  . GLN A 88  ? 0.72338 0.72557 0.49910 -0.03862 0.13320  -0.08724 665 GLN A CA  
391  C C   . GLN A 88  ? 0.66949 0.70457 0.50548 -0.03980 0.11822  -0.07694 665 GLN A C   
392  O O   . GLN A 88  ? 0.65651 0.72486 0.54950 -0.03580 0.13433  -0.08348 665 GLN A O   
393  C CB  . GLN A 88  ? 0.79884 0.78401 0.52516 -0.04208 0.15523  -0.07564 665 GLN A CB  
394  N N   . VAL A 89  ? 0.62577 0.65714 0.45442 -0.04501 0.08721  -0.06667 666 VAL A N   
395  C CA  . VAL A 89  ? 0.54794 0.60731 0.42379 -0.04555 0.06913  -0.05483 666 VAL A CA  
396  C C   . VAL A 89  ? 0.53509 0.58423 0.37569 -0.05874 0.05617  -0.03640 666 VAL A C   
397  O O   . VAL A 89  ? 0.55388 0.58276 0.34116 -0.06188 0.04173  -0.03807 666 VAL A O   
398  C CB  . VAL A 89  ? 0.51941 0.58047 0.41725 -0.03196 0.04701  -0.05666 666 VAL A CB  
399  C CG1 . VAL A 89  ? 0.59960 0.62570 0.45535 -0.04302 0.03259  -0.05765 666 VAL A CG1 
400  C CG2 . VAL A 89  ? 0.42420 0.51960 0.37052 -0.02608 0.02807  -0.04650 666 VAL A CG2 
401  N N   . VAL A 90  ? 0.45472 0.52079 0.32613 -0.06369 0.06301  -0.02390 667 VAL A N   
402  C CA  . VAL A 90  ? 0.46193 0.51126 0.29019 -0.06913 0.05796  -0.00276 667 VAL A CA  
403  C C   . VAL A 90  ? 0.42668 0.48908 0.26436 -0.07113 0.01662  0.00569  667 VAL A C   
404  O O   . VAL A 90  ? 0.43034 0.48149 0.21656 -0.07041 -0.00454 0.01065  667 VAL A O   
405  C CB  . VAL A 90  ? 0.52644 0.57409 0.38067 -0.07516 0.09584  0.00739  667 VAL A CB  
406  C CG1 . VAL A 90  ? 0.56968 0.58698 0.36302 -0.07194 0.09739  0.03447  667 VAL A CG1 
407  C CG2 . VAL A 90  ? 0.61174 0.64465 0.46397 -0.07501 0.14449  -0.00353 667 VAL A CG2 
408  N N   . GLN A 91  ? 0.37285 0.46412 0.27603 -0.06932 0.00392  0.00345  668 GLN A N   
409  C CA  . GLN A 91  ? 0.34536 0.44736 0.26182 -0.06906 -0.03066 0.01348  668 GLN A CA  
410  C C   . GLN A 91  ? 0.34159 0.43586 0.26189 -0.06127 -0.04522 0.00314  668 GLN A C   
411  O O   . GLN A 91  ? 0.31266 0.40479 0.24802 -0.04834 -0.03048 -0.00995 668 GLN A O   
412  C CB  . GLN A 91  ? 0.31066 0.44733 0.29220 -0.06542 -0.03463 0.01703  668 GLN A CB  
413  C CG  . GLN A 91  ? 0.33991 0.47594 0.32806 -0.07722 -0.01370 0.02733  668 GLN A CG  
414  C CD  . GLN A 91  ? 0.29622 0.47483 0.36322 -0.07562 -0.01803 0.01894  668 GLN A CD  
415  O OE1 . GLN A 91  ? 0.23580 0.45345 0.36507 -0.06660 -0.00867 -0.00794 668 GLN A OE1 
416  N NE2 . GLN A 91  ? 0.32109 0.49951 0.38743 -0.08039 -0.03543 0.03691  668 GLN A NE2 
417  N N   . THR A 92  ? 0.31953 0.40689 0.22756 -0.06719 -0.06943 0.00853  669 THR A N   
418  C CA  . THR A 92  ? 0.34148 0.40967 0.25738 -0.06259 -0.07219 -0.00026 669 THR A CA  
419  C C   . THR A 92  ? 0.30474 0.38262 0.26151 -0.03711 -0.07181 0.00859  669 THR A C   
420  O O   . THR A 92  ? 0.26941 0.38179 0.25776 -0.02751 -0.08046 0.01656  669 THR A O   
421  C CB  . THR A 92  ? 0.37202 0.43651 0.27715 -0.07779 -0.09397 -0.00212 669 THR A CB  
422  O OG1 . THR A 92  ? 0.34528 0.42305 0.27975 -0.06614 -0.10372 0.01674  669 THR A OG1 
423  C CG2 . THR A 92  ? 0.42614 0.49671 0.28570 -0.09038 -0.10207 -0.01591 669 THR A CG2 
424  N N   . LEU A 93  ? 0.37332 0.37384 0.28770 -0.00207 -0.09322 0.01181  670 LEU A N   
425  C CA  . LEU A 93  ? 0.31268 0.32263 0.26134 -0.00477 -0.07250 0.01122  670 LEU A CA  
426  C C   . LEU A 93  ? 0.30909 0.32971 0.29699 -0.00649 -0.06703 0.02416  670 LEU A C   
427  O O   . LEU A 93  ? 0.27588 0.30201 0.27167 -0.00663 -0.04734 0.02816  670 LEU A O   
428  C CB  . LEU A 93  ? 0.32680 0.33424 0.29923 -0.00785 -0.08004 -0.00124 670 LEU A CB  
429  C CG  . LEU A 93  ? 0.30161 0.31641 0.30548 -0.01178 -0.06227 0.00197  670 LEU A CG  
430  C CD1 . LEU A 93  ? 0.29681 0.31023 0.27858 -0.00768 -0.04346 -0.00189 670 LEU A CD1 
431  C CD2 . LEU A 93  ? 0.31725 0.32720 0.35020 -0.01812 -0.07309 -0.00312 670 LEU A CD2 
432  N N   . GLU A 94  ? 0.29255 0.31701 0.30833 -0.00670 -0.08582 0.02812  671 GLU A N   
433  C CA  . GLU A 94  ? 0.28023 0.31746 0.33940 -0.00558 -0.08085 0.03612  671 GLU A CA  
434  C C   . GLU A 94  ? 0.29142 0.32207 0.33538 -0.00139 -0.07349 0.04682  671 GLU A C   
435  O O   . GLU A 94  ? 0.26198 0.29920 0.32805 -0.00006 -0.05726 0.04788  671 GLU A O   
436  C CB  . GLU A 94  ? 0.30615 0.35089 0.40292 -0.00504 -0.10565 0.03693  671 GLU A CB  
437  C CG  . GLU A 94  ? 0.39282 0.44611 0.52028 -0.01248 -0.11275 0.02799  671 GLU A CG  
438  C CD  . GLU A 94  ? 0.47091 0.50611 0.55946 -0.01510 -0.12591 0.01720  671 GLU A CD  
439  O OE1 . GLU A 94  ? 0.37636 0.39632 0.41756 -0.01019 -0.14044 0.01508  671 GLU A OE1 
440  O OE2 . GLU A 94  ? 0.44189 0.47707 0.54673 -0.02187 -0.12187 0.01056  671 GLU A OE2 
441  N N   . GLU A 95  ? 0.27701 0.29299 0.28101 0.00002  -0.08563 0.05505  672 GLU A N   
442  C CA  . GLU A 95  ? 0.30124 0.30726 0.29129 0.00104  -0.07961 0.06970  672 GLU A CA  
443  C C   . GLU A 95  ? 0.29902 0.30709 0.27678 -0.00258 -0.05241 0.06754  672 GLU A C   
444  O O   . GLU A 95  ? 0.27616 0.28222 0.27155 -0.00273 -0.04286 0.07351  672 GLU A O   
445  C CB  . GLU A 95  ? 0.33386 0.32321 0.27552 0.00109  -0.09721 0.08289  672 GLU A CB  
446  C CG  . GLU A 95  ? 0.38814 0.37261 0.34378 0.00580  -0.13062 0.08782  672 GLU A CG  
447  C CD  . GLU A 95  ? 0.45257 0.41890 0.34614 0.00576  -0.15079 0.09928  672 GLU A CD  
448  O OE1 . GLU A 95  ? 0.47608 0.43987 0.31631 0.00257  -0.13820 0.09400  672 GLU A OE1 
449  O OE2 . GLU A 95  ? 0.52445 0.48163 0.42443 0.01006  -0.17349 0.10924  672 GLU A OE2 
450  N N   . ARG A 96  ? 0.29904 0.31037 0.25044 -0.00474 -0.04223 0.05748  673 ARG A N   
451  C CA  . ARG A 96  ? 0.25844 0.27482 0.20523 -0.00730 -0.01921 0.05434  673 ARG A CA  
452  C C   . ARG A 96  ? 0.26198 0.28698 0.24645 -0.00683 -0.00987 0.04700  673 ARG A C   
453  O O   . ARG A 96  ? 0.25844 0.28492 0.25180 -0.00830 0.00256  0.04822  673 ARG A O   
454  C CB  . ARG A 96  ? 0.27791 0.29720 0.19466 -0.00671 -0.01251 0.04223  673 ARG A CB  
455  C CG  . ARG A 96  ? 0.33073 0.34332 0.19915 -0.00658 -0.01702 0.04751  673 ARG A CG  
456  C CD  . ARG A 96  ? 0.34560 0.36285 0.18430 -0.00316 -0.00822 0.03019  673 ARG A CD  
457  N NE  . ARG A 96  ? 0.35000 0.36064 0.18606 0.00123  -0.02739 0.01344  673 ARG A NE  
458  C CZ  . ARG A 96  ? 0.32392 0.33585 0.18041 0.00391  -0.02663 -0.00358 673 ARG A CZ  
459  N NH1 . ARG A 96  ? 0.29522 0.31578 0.17333 0.00424  -0.00895 -0.00678 673 ARG A NH1 
460  N NH2 . ARG A 96  ? 0.33775 0.33989 0.19440 0.00599  -0.04714 -0.01714 673 ARG A NH2 
461  N N   . THR A 97  ? 0.22185 0.25279 0.22804 -0.00570 -0.01607 0.03981  674 THR A N   
462  C CA  . THR A 97  ? 0.22368 0.26368 0.25651 -0.00576 -0.00511 0.03440  674 THR A CA  
463  C C   . THR A 97  ? 0.21820 0.26012 0.27603 -0.00246 -0.00325 0.03760  674 THR A C   
464  O O   . THR A 97  ? 0.22033 0.26493 0.28614 -0.00152 0.00827  0.03255  674 THR A O   
465  C CB  . THR A 97  ? 0.21640 0.26337 0.26635 -0.00796 -0.00985 0.02978  674 THR A CB  
466  O OG1 . THR A 97  ? 0.22017 0.26008 0.24933 -0.00981 -0.01386 0.02426  674 THR A OG1 
467  C CG2 . THR A 97  ? 0.19855 0.25596 0.26773 -0.00918 0.00423  0.02723  674 THR A CG2 
468  N N   . GLU A 98  ? 0.22183 0.26037 0.29207 0.00059  -0.01732 0.04442  675 GLU A N   
469  C CA  . GLU A 98  ? 0.21727 0.25608 0.31912 0.00649  -0.01857 0.04494  675 GLU A CA  
470  C C   . GLU A 98  ? 0.24379 0.26926 0.33800 0.00594  -0.01231 0.04836  675 GLU A C   
471  O O   . GLU A 98  ? 0.24984 0.27625 0.36685 0.01029  -0.00590 0.03985  675 GLU A O   
472  C CB  . GLU A 98  ? 0.24196 0.27649 0.35977 0.01091  -0.04036 0.05354  675 GLU A CB  
473  C CG  . GLU A 98  ? 0.27766 0.31463 0.44008 0.02015  -0.04413 0.05071  675 GLU A CG  
474  C CD  . GLU A 98  ? 0.30287 0.36615 0.50521 0.02399  -0.03299 0.03626  675 GLU A CD  
475  O OE1 . GLU A 98  ? 0.32165 0.39828 0.51754 0.01731  -0.02589 0.03316  675 GLU A OE1 
476  O OE2 . GLU A 98  ? 0.36247 0.43321 0.60413 0.03360  -0.03055 0.02808  675 GLU A OE2 
477  N N   . THR A 99  ? 0.23249 0.24589 0.29669 0.00035  -0.01413 0.06011  676 THR A N   
478  C CA  . THR A 99  ? 0.24294 0.24479 0.30737 -0.00344 -0.00805 0.06606  676 THR A CA  
479  C C   . THR A 99  ? 0.24128 0.25169 0.31291 -0.00460 0.00656  0.05129  676 THR A C   
480  O O   . THR A 99  ? 0.22517 0.22837 0.31587 -0.00414 0.00798  0.04701  676 THR A O   
481  C CB  . THR A 99  ? 0.28659 0.28047 0.31642 -0.01156 -0.00655 0.08255  676 THR A CB  
482  O OG1 . THR A 99  ? 0.34766 0.33204 0.35988 -0.01001 -0.02327 0.09629  676 THR A OG1 
483  C CG2 . THR A 99  ? 0.27987 0.26103 0.31974 -0.01824 -0.00206 0.09379  676 THR A CG2 
484  N N   . LEU A 100 ? 0.22007 0.24306 0.27699 -0.00568 0.01413  0.04292  677 LEU A N   
485  C CA  . LEU A 100 ? 0.18592 0.21522 0.24478 -0.00645 0.02367  0.03117  677 LEU A CA  
486  C C   . LEU A 100 ? 0.21888 0.25122 0.29560 -0.00062 0.02536  0.01861  677 LEU A C   
487  O O   . LEU A 100 ? 0.23494 0.26731 0.31227 -0.00049 0.02903  0.00870  677 LEU A O   
488  C CB  . LEU A 100 ? 0.20239 0.24049 0.24315 -0.00753 0.02749  0.02699  677 LEU A CB  
489  C CG  . LEU A 100 ? 0.23273 0.27149 0.25534 -0.01122 0.03065  0.03211  677 LEU A CG  
490  C CD1 . LEU A 100 ? 0.21349 0.25669 0.22216 -0.00911 0.02973  0.02535  677 LEU A CD1 
491  C CD2 . LEU A 100 ? 0.22127 0.26363 0.25283 -0.01499 0.03839  0.03052  677 LEU A CD2 
492  N N   . LYS A 101 ? 0.22054 0.25735 0.31242 0.00478  0.02267  0.01727  678 LYS A N   
493  C CA  . LYS A 101 ? 0.23182 0.27564 0.34067 0.01179  0.02872  0.00302  678 LYS A CA  
494  C C   . LYS A 101 ? 0.24920 0.27927 0.37483 0.01620  0.02473  -0.00472 678 LYS A C   
495  O O   . LYS A 101 ? 0.30989 0.34353 0.44374 0.02328  0.03017  -0.02209 678 LYS A O   
496  C CB  . LYS A 101 ? 0.23823 0.29513 0.37056 0.01693  0.02827  0.00290  678 LYS A CB  
497  C CG  . LYS A 101 ? 0.24509 0.31348 0.36887 0.01094  0.02909  0.01012  678 LYS A CG  
498  C CD  . LYS A 101 ? 0.24709 0.32959 0.40467 0.01435  0.02447  0.01152  678 LYS A CD  
499  C CE  . LYS A 101 ? 0.25827 0.34826 0.41178 0.00625  0.02086  0.01861  678 LYS A CE  
500  N NZ  . LYS A 101 ? 0.27238 0.38091 0.46831 0.00801  0.01621  0.01881  678 LYS A NZ  
501  N N   . HIS A 102 ? 0.18836 0.20173 0.31859 0.01192  0.01534  0.00764  679 HIS A N   
502  C CA  . HIS A 102 ? 0.18480 0.17976 0.33773 0.01430  0.00805  0.00318  679 HIS A CA  
503  C C   . HIS A 102 ? 0.17648 0.16381 0.32379 0.00576  0.00893  0.00117  679 HIS A C   
504  O O   . HIS A 102 ? 0.21118 0.18058 0.38075 0.00512  0.00098  -0.00261 679 HIS A O   
505  C CB  . HIS A 102 ? 0.19355 0.17135 0.36077 0.01364  -0.00534 0.02240  679 HIS A CB  
506  C CG  . HIS A 102 ? 0.18599 0.17074 0.37175 0.02413  -0.01183 0.02159  679 HIS A CG  
507  N ND1 . HIS A 102 ? 0.19182 0.17308 0.41492 0.03719  -0.01694 0.00710  679 HIS A ND1 
508  C CD2 . HIS A 102 ? 0.20950 0.20680 0.38722 0.02417  -0.01490 0.03062  679 HIS A CD2 
509  C CE1 . HIS A 102 ? 0.21037 0.20462 0.45187 0.04469  -0.02206 0.00902  679 HIS A CE1 
510  N NE2 . HIS A 102 ? 0.21852 0.22191 0.43281 0.03607  -0.02226 0.02369  679 HIS A NE2 
511  N N   . ILE A 103 ? 0.19330 0.19338 0.31782 -0.00040 0.01631  0.00245  680 ILE A N   
512  C CA  . ILE A 103 ? 0.17937 0.17727 0.30670 -0.00901 0.01606  0.00206  680 ILE A CA  
513  C C   . ILE A 103 ? 0.18890 0.19003 0.31388 -0.00419 0.01418  -0.02058 680 ILE A C   
514  O O   . ILE A 103 ? 0.21120 0.22392 0.31469 0.00151  0.01925  -0.02880 680 ILE A O   
515  C CB  . ILE A 103 ? 0.18721 0.19823 0.29646 -0.01628 0.02368  0.01448  680 ILE A CB  
516  C CG1 . ILE A 103 ? 0.18808 0.19432 0.28921 -0.02019 0.02461  0.03532  680 ILE A CG1 
517  C CG2 . ILE A 103 ? 0.19915 0.21455 0.32222 -0.02466 0.02467  0.01270  680 ILE A CG2 
518  C CD1 . ILE A 103 ? 0.21948 0.20742 0.33979 -0.02758 0.01944  0.05030  680 ILE A CD1 
519  N N   . ARG A 104 ? 0.17862 0.16793 0.32440 -0.00755 0.00539  -0.02949 681 ARG A N   
520  C CA  . ARG A 104 ? 0.22793 0.21511 0.36944 -0.00159 -0.00164 -0.05450 681 ARG A CA  
521  C C   . ARG A 104 ? 0.22897 0.23194 0.34330 -0.00174 0.00014  -0.05811 681 ARG A C   
522  O O   . ARG A 104 ? 0.22926 0.23470 0.31887 0.00593  -0.00130 -0.07409 681 ARG A O   
523  C CB  . ARG A 104 ? 0.25778 0.22821 0.43244 -0.00838 -0.01553 -0.06152 681 ARG A CB  
524  C CG  . ARG A 104 ? 0.31054 0.27364 0.48166 -0.00178 -0.02848 -0.09131 681 ARG A CG  
525  C CD  . ARG A 104 ? 0.31544 0.26195 0.52743 -0.01174 -0.04544 -0.09672 681 ARG A CD  
526  N NE  . ARG A 104 ? 0.32514 0.25063 0.57349 -0.01729 -0.04816 -0.08370 681 ARG A NE  
527  C CZ  . ARG A 104 ? 0.37114 0.27384 0.63402 -0.00758 -0.05629 -0.09822 681 ARG A CZ  
528  N NH1 . ARG A 104 ? 0.37200 0.27467 0.61299 0.00950  -0.05712 -0.12805 681 ARG A NH1 
529  N NH2 . ARG A 104 ? 0.32059 0.20406 0.61676 -0.01406 -0.06234 -0.08035 681 ARG A NH2 
530  N N   . TRP A 105 ? 0.19125 0.20441 0.30906 -0.00974 0.00305  -0.04341 682 TRP A N   
531  C CA  . TRP A 105 ? 0.16891 0.19365 0.27333 -0.00959 -0.00076 -0.04718 682 TRP A CA  
532  C C   . TRP A 105 ? 0.20496 0.23739 0.27649 -0.00412 0.00669  -0.04196 682 TRP A C   
533  O O   . TRP A 105 ? 0.21727 0.25405 0.27299 -0.00197 0.00058  -0.04500 682 TRP A O   
534  C CB  . TRP A 105 ? 0.17477 0.21055 0.30478 -0.01873 0.00110  -0.03620 682 TRP A CB  
535  C CG  . TRP A 105 ? 0.16437 0.19329 0.33115 -0.02854 -0.00095 -0.03218 682 TRP A CG  
536  C CD1 . TRP A 105 ? 0.15914 0.18794 0.33951 -0.03722 0.01010  -0.01284 682 TRP A CD1 
537  C CD2 . TRP A 105 ? 0.16887 0.18684 0.36222 -0.03180 -0.01644 -0.04647 682 TRP A CD2 
538  N NE1 . TRP A 105 ? 0.17764 0.19579 0.39426 -0.04731 0.00390  -0.01051 682 TRP A NE1 
539  C CE2 . TRP A 105 ? 0.19457 0.20538 0.42381 -0.04423 -0.01343 -0.03257 682 TRP A CE2 
540  C CE3 . TRP A 105 ? 0.20067 0.21233 0.38877 -0.02594 -0.03433 -0.06971 682 TRP A CE3 
541  C CZ2 . TRP A 105 ? 0.21419 0.21073 0.48193 -0.05183 -0.02825 -0.04127 682 TRP A CZ2 
542  C CZ3 . TRP A 105 ? 0.23025 0.22838 0.45306 -0.03175 -0.05054 -0.08233 682 TRP A CZ3 
543  C CH2 . TRP A 105 ? 0.26967 0.25996 0.53607 -0.04511 -0.04774 -0.06818 682 TRP A CH2 
544  N N   . VAL A 106 ? 0.19449 0.22723 0.25917 -0.00241 0.01691  -0.03328 683 VAL A N   
545  C CA  . VAL A 106 ? 0.21610 0.25573 0.25880 -0.00040 0.02337  -0.02565 683 VAL A CA  
546  C C   . VAL A 106 ? 0.21618 0.25658 0.23720 0.00510  0.02666  -0.03414 683 VAL A C   
547  O O   . VAL A 106 ? 0.25530 0.29499 0.28250 0.00944  0.03165  -0.04193 683 VAL A O   
548  C CB  . VAL A 106 ? 0.21651 0.25770 0.26570 -0.00223 0.02999  -0.01295 683 VAL A CB  
549  C CG1 . VAL A 106 ? 0.22640 0.27305 0.25971 -0.00143 0.03391  -0.00696 683 VAL A CG1 
550  C CG2 . VAL A 106 ? 0.21836 0.26042 0.27849 -0.00792 0.03033  -0.00388 683 VAL A CG2 
551  N N   . ASP A 107 ? 0.20796 0.25017 0.20378 0.00532  0.02464  -0.03198 684 ASP A N   
552  C CA  . ASP A 107 ? 0.23193 0.27661 0.19890 0.00847  0.03104  -0.03600 684 ASP A CA  
553  C C   . ASP A 107 ? 0.23781 0.29015 0.19941 0.00506  0.04312  -0.02151 684 ASP A C   
554  O O   . ASP A 107 ? 0.25851 0.32039 0.21512 0.00666  0.05686  -0.02391 684 ASP A O   
555  C CB  . ASP A 107 ? 0.24358 0.28203 0.18073 0.00965  0.01852  -0.03967 684 ASP A CB  
556  C CG  . ASP A 107 ? 0.26754 0.29949 0.21356 0.01248  0.00361  -0.05731 684 ASP A CG  
557  O OD1 . ASP A 107 ? 0.27938 0.30916 0.23432 0.01609  0.00656  -0.07256 684 ASP A OD1 
558  O OD2 . ASP A 107 ? 0.28058 0.30939 0.23037 0.01140  -0.01264 -0.05698 684 ASP A OD2 
559  N N   . GLU A 108 ? 0.21420 0.26378 0.18157 0.00052  0.03843  -0.00839 685 GLU A N   
560  C CA  . GLU A 108 ? 0.21574 0.26887 0.18344 -0.00461 0.04509  0.00530  685 GLU A CA  
561  C C   . GLU A 108 ? 0.19366 0.24337 0.18148 -0.00659 0.03870  0.01052  685 GLU A C   
562  O O   . GLU A 108 ? 0.20175 0.24705 0.19479 -0.00448 0.03093  0.00650  685 GLU A O   
563  C CB  . GLU A 108 ? 0.25203 0.29815 0.19123 -0.00811 0.04194  0.01594  685 GLU A CB  
564  C CG  . GLU A 108 ? 0.24911 0.29833 0.15606 -0.00599 0.04861  0.01089  685 GLU A CG  
565  C CD  . GLU A 108 ? 0.32105 0.36028 0.19136 -0.01036 0.04396  0.02598  685 GLU A CD  
566  O OE1 . GLU A 108 ? 0.35245 0.37930 0.22863 -0.01425 0.03239  0.03980  685 GLU A OE1 
567  O OE2 . GLU A 108 ? 0.38732 0.42922 0.22064 -0.00924 0.05085  0.02368  685 GLU A OE2 
568  N N   . ILE A 109 ? 0.20842 0.26203 0.20834 -0.01077 0.04227  0.01823  686 ILE A N   
569  C CA  . ILE A 109 ? 0.18371 0.23289 0.19615 -0.01171 0.03454  0.02011  686 ILE A CA  
570  C C   . ILE A 109 ? 0.19503 0.23850 0.20989 -0.01767 0.03013  0.02906  686 ILE A C   
571  O O   . ILE A 109 ? 0.21137 0.26119 0.23111 -0.02362 0.03729  0.03704  686 ILE A O   
572  C CB  . ILE A 109 ? 0.21546 0.27140 0.24555 -0.01044 0.03585  0.01842  686 ILE A CB  
573  C CG1 . ILE A 109 ? 0.17844 0.23334 0.20988 -0.00602 0.03665  0.01225  686 ILE A CG1 
574  C CG2 . ILE A 109 ? 0.20903 0.25959 0.24228 -0.01188 0.02621  0.02058  686 ILE A CG2 
575  C CD1 . ILE A 109 ? 0.21170 0.26849 0.26014 -0.00411 0.03490  0.01377  686 ILE A CD1 
576  N N   . ILE A 110 ? 0.19755 0.22951 0.21172 -0.01628 0.01920  0.02698  687 ILE A N   
577  C CA  . ILE A 110 ? 0.20681 0.22821 0.22950 -0.02128 0.01013  0.03184  687 ILE A CA  
578  C C   . ILE A 110 ? 0.21364 0.23469 0.24306 -0.01882 0.00302  0.02329  687 ILE A C   
579  O O   . ILE A 110 ? 0.21628 0.23474 0.23582 -0.01197 0.00069  0.01366  687 ILE A O   
580  C CB  . ILE A 110 ? 0.20100 0.20493 0.21661 -0.01916 -0.00022 0.03306  687 ILE A CB  
581  C CG1 . ILE A 110 ? 0.23517 0.23701 0.23517 -0.02157 0.00338  0.04403  687 ILE A CG1 
582  C CG2 . ILE A 110 ? 0.25889 0.24641 0.28840 -0.02459 -0.01272 0.03674  687 ILE A CG2 
583  C CD1 . ILE A 110 ? 0.27726 0.26089 0.27054 -0.01689 -0.01107 0.04595  687 ILE A CD1 
584  N N   . SER A 111 ? 0.19512 0.22077 0.24111 -0.02448 -0.00031 0.02670  688 SER A N   
585  C CA  . SER A 111 ? 0.20371 0.22867 0.25063 -0.02199 -0.01062 0.01933  688 SER A CA  
586  C C   . SER A 111 ? 0.20718 0.22897 0.27749 -0.02975 -0.02373 0.02138  688 SER A C   
587  O O   . SER A 111 ? 0.19532 0.23080 0.29183 -0.03669 -0.01915 0.03010  688 SER A O   
588  C CB  . SER A 111 ? 0.19480 0.23254 0.24208 -0.01871 -0.00464 0.02069  688 SER A CB  
589  O OG  . SER A 111 ? 0.25609 0.29211 0.30300 -0.01754 -0.01803 0.01807  688 SER A OG  
590  N N   . PRO A 112 ? 0.25428 0.25948 0.32030 -0.02883 -0.04019 0.01170  689 PRO A N   
591  C CA  . PRO A 112 ? 0.24038 0.23330 0.27951 -0.01903 -0.04317 -0.00220 689 PRO A CA  
592  C C   . PRO A 112 ? 0.25613 0.23909 0.29526 -0.01720 -0.03897 -0.00071 689 PRO A C   
593  O O   . PRO A 112 ? 0.24562 0.22263 0.30123 -0.02543 -0.04000 0.01160  689 PRO A O   
594  C CB  . PRO A 112 ? 0.24498 0.22304 0.28458 -0.01864 -0.06455 -0.01579 689 PRO A CB  
595  C CG  . PRO A 112 ? 0.28446 0.25945 0.36163 -0.03167 -0.07398 -0.00531 689 PRO A CG  
596  C CD  . PRO A 112 ? 0.23448 0.23333 0.32692 -0.03719 -0.05783 0.01107  689 PRO A CD  
597  N N   . CYS A 113 ? 0.25618 0.23857 0.27845 -0.00692 -0.03437 -0.01151 690 CYS A N   
598  C CA  . CYS A 113 ? 0.25632 0.22800 0.28292 -0.00205 -0.03631 -0.01341 690 CYS A CA  
599  C C   . CYS A 113 ? 0.32308 0.27732 0.35166 0.00645  -0.05015 -0.03249 690 CYS A C   
600  O O   . CYS A 113 ? 0.33164 0.28519 0.34873 0.01005  -0.05492 -0.04722 690 CYS A O   
601  C CB  . CYS A 113 ? 0.22680 0.21318 0.24511 0.00476  -0.02282 -0.01483 690 CYS A CB  
602  S SG  . CYS A 113 ? 0.26770 0.26832 0.27095 0.01481  -0.01293 -0.03280 690 CYS A SG  
603  N N   . PRO A 114 ? 0.33053 0.26840 0.37224 0.01096  -0.05893 -0.03376 691 PRO A N   
604  C CA  . PRO A 114 ? 0.34159 0.26192 0.38994 0.02272  -0.07236 -0.05664 691 PRO A CA  
605  C C   . PRO A 114 ? 0.37093 0.31071 0.40509 0.03714  -0.05872 -0.07803 691 PRO A C   
606  O O   . PRO A 114 ? 0.31709 0.27950 0.34654 0.03836  -0.04189 -0.07216 691 PRO A O   
607  C CB  . PRO A 114 ? 0.35297 0.25198 0.42237 0.02475  -0.08501 -0.04807 691 PRO A CB  
608  C CG  . PRO A 114 ? 0.37362 0.27368 0.44190 0.00852  -0.08103 -0.01731 691 PRO A CG  
609  C CD  . PRO A 114 ? 0.34788 0.27870 0.39804 0.00549  -0.06026 -0.01379 691 PRO A CD  
610  N N   . TRP A 115 ? 0.37268 0.30404 0.40071 0.04763  -0.06553 -0.10400 692 TRP A N   
611  C CA  . TRP A 115 ? 0.40857 0.36190 0.42140 0.06122  -0.04809 -0.12498 692 TRP A CA  
612  C C   . TRP A 115 ? 0.39699 0.35760 0.43777 0.07379  -0.04359 -0.13262 692 TRP A C   
613  O O   . TRP A 115 ? 0.39104 0.38090 0.43171 0.07857  -0.02281 -0.13574 692 TRP A O   
614  C CB  . TRP A 115 ? 0.44148 0.38488 0.43378 0.07085  -0.05545 -0.15436 692 TRP A CB  
615  C CG  . TRP A 115 ? 0.44892 0.41971 0.41669 0.08269  -0.03161 -0.17338 692 TRP A CG  
616  C CD1 . TRP A 115 ? 0.49566 0.47617 0.47483 0.09592  -0.02242 -0.19151 692 TRP A CD1 
617  C CD2 . TRP A 115 ? 0.42823 0.42366 0.36007 0.07619  -0.01088 -0.16295 692 TRP A CD2 
618  N NE1 . TRP A 115 ? 0.50564 0.51507 0.45719 0.09695  0.00498  -0.19355 692 TRP A NE1 
619  C CE2 . TRP A 115 ? 0.46486 0.48239 0.38563 0.08517  0.01192  -0.17615 692 TRP A CE2 
620  C CE3 . TRP A 115 ? 0.41589 0.41526 0.32880 0.06098  -0.00969 -0.13717 692 TRP A CE3 
621  C CZ2 . TRP A 115 ? 0.49163 0.53126 0.37817 0.07915  0.03552  -0.16554 692 TRP A CZ2 
622  C CZ3 . TRP A 115 ? 0.44474 0.46532 0.32362 0.05832  0.01045  -0.13047 692 TRP A CZ3 
623  C CH2 . TRP A 115 ? 0.45473 0.49549 0.31757 0.06739  0.03349  -0.14535 692 TRP A CH2 
624  N N   . VAL A 116 ? 0.41925 0.35333 0.48847 0.07842  -0.06455 -0.13382 693 VAL A N   
625  C CA  . VAL A 116 ? 0.42579 0.36220 0.52770 0.09298  -0.06783 -0.14247 693 VAL A CA  
626  C C   . VAL A 116 ? 0.39770 0.32147 0.51359 0.08336  -0.08028 -0.11239 693 VAL A C   
627  O O   . VAL A 116 ? 0.45569 0.34955 0.57200 0.07285  -0.09803 -0.09534 693 VAL A O   
628  C CB  . VAL A 116 ? 0.45823 0.37742 0.57721 0.10410  -0.08339 -0.16248 693 VAL A CB  
629  C CG1 . VAL A 116 ? 0.43170 0.36254 0.58455 0.11581  -0.08521 -0.16714 693 VAL A CG1 
630  C CG2 . VAL A 116 ? 0.43412 0.36584 0.52680 0.10940  -0.07116 -0.18665 693 VAL A CG2 
631  N N   . VAL A 117 ? 0.35840 0.30516 0.48529 0.08621  -0.07139 -0.10577 694 VAL A N   
632  C CA  . VAL A 117 ? 0.35364 0.28784 0.48764 0.08009  -0.08585 -0.08072 694 VAL A CA  
633  C C   . VAL A 117 ? 0.37069 0.27400 0.53439 0.09233  -0.11328 -0.08465 694 VAL A C   
634  O O   . VAL A 117 ? 0.38059 0.29585 0.56641 0.10490  -0.11294 -0.10648 694 VAL A O   
635  C CB  . VAL A 117 ? 0.34584 0.31151 0.48606 0.08087  -0.07398 -0.07669 694 VAL A CB  
636  C CG1 . VAL A 117 ? 0.35079 0.30061 0.49120 0.07667  -0.09328 -0.05385 694 VAL A CG1 
637  C CG2 . VAL A 117 ? 0.35663 0.34624 0.47044 0.06796  -0.05021 -0.06995 694 VAL A CG2 
638  N N   . THR A 118 ? 0.37748 0.24822 0.53432 0.08151  -0.13262 -0.05814 695 THR A N   
639  C CA  . THR A 118 ? 0.37898 0.22541 0.55262 0.08300  -0.15609 -0.05195 695 THR A CA  
640  C C   . THR A 118 ? 0.36408 0.20355 0.52872 0.07750  -0.16802 -0.02480 695 THR A C   
641  O O   . THR A 118 ? 0.35096 0.19767 0.49072 0.06914  -0.16009 -0.00626 695 THR A O   
642  C CB  . THR A 118 ? 0.42492 0.23902 0.59535 0.07091  -0.16865 -0.04199 695 THR A CB  
643  O OG1 . THR A 118 ? 0.41632 0.21938 0.56182 0.05165  -0.16544 -0.00997 695 THR A OG1 
644  C CG2 . THR A 118 ? 0.41252 0.23233 0.58445 0.07516  -0.16000 -0.06919 695 THR A CG2 
645  N N   . PRO A 119 ? 0.34888 0.22401 0.53150 -0.00053 -0.09969 -0.01412 696 PRO A N   
646  C CA  . PRO A 119 ? 0.39993 0.26866 0.57762 -0.00609 -0.09381 0.02561  696 PRO A CA  
647  C C   . PRO A 119 ? 0.37783 0.25517 0.56558 -0.02601 -0.08579 0.04931  696 PRO A C   
648  O O   . PRO A 119 ? 0.40144 0.29588 0.56052 -0.02985 -0.07399 0.07398  696 PRO A O   
649  C CB  . PRO A 119 ? 0.45983 0.29231 0.67300 -0.00067 -0.10522 0.03206  696 PRO A CB  
650  C CG  . PRO A 119 ? 0.44366 0.27716 0.66640 0.01442  -0.10947 -0.01044 696 PRO A CG  
651  C CD  . PRO A 119 ? 0.40383 0.25505 0.61525 0.00965  -0.10909 -0.03949 696 PRO A CD  
652  N N   . GLU A 120 ? 0.36804 0.23784 0.60032 -0.03952 -0.09081 0.03852  697 GLU A N   
653  C CA  . GLU A 120 ? 0.36279 0.24718 0.61811 -0.06132 -0.07879 0.05926  697 GLU A CA  
654  C C   . GLU A 120 ? 0.35424 0.28323 0.58273 -0.05939 -0.06773 0.05213  697 GLU A C   
655  O O   . GLU A 120 ? 0.34803 0.29920 0.57507 -0.07147 -0.04913 0.07400  697 GLU A O   
656  C CB  . GLU A 120 ? 0.34861 0.22127 0.66924 -0.07600 -0.08877 0.04074  697 GLU A CB  
657  C CG  . GLU A 120 ? 0.41769 0.25758 0.76358 -0.07502 -0.09247 0.05033  697 GLU A CG  
658  C CD  . GLU A 120 ? 0.50704 0.32843 0.84359 -0.05269 -0.10723 0.02473  697 GLU A CD  
659  O OE1 . GLU A 120 ? 0.43806 0.27191 0.75276 -0.03982 -0.11461 -0.00947 697 GLU A OE1 
660  O OE2 . GLU A 120 ? 0.57902 0.37652 0.93069 -0.04801 -0.11036 0.03868  697 GLU A OE2 
661  N N   . PHE A 121 ? 0.29001 0.23273 0.49878 -0.04384 -0.07802 0.02223  698 PHE A N   
662  C CA  . PHE A 121 ? 0.27877 0.25649 0.46738 -0.03778 -0.07181 0.01716  698 PHE A CA  
663  C C   . PHE A 121 ? 0.29226 0.27801 0.44174 -0.03236 -0.05574 0.03675  698 PHE A C   
664  O O   . PHE A 121 ? 0.26031 0.27412 0.40978 -0.03567 -0.04208 0.04132  698 PHE A O   
665  C CB  . PHE A 121 ? 0.28025 0.26243 0.44696 -0.02109 -0.08781 -0.00947 698 PHE A CB  
666  C CG  . PHE A 121 ? 0.25916 0.26966 0.41333 -0.01229 -0.08747 -0.01198 698 PHE A CG  
667  C CD1 . PHE A 121 ? 0.24880 0.28472 0.43865 -0.01550 -0.09834 -0.02386 698 PHE A CD1 
668  C CD2 . PHE A 121 ? 0.28953 0.29991 0.40611 0.00009  -0.07940 -0.00422 698 PHE A CD2 
669  C CE1 . PHE A 121 ? 0.24775 0.30670 0.43507 -0.00369 -0.10226 -0.02543 698 PHE A CE1 
670  C CE2 . PHE A 121 ? 0.24402 0.27283 0.35887 0.00950  -0.08138 -0.00558 698 PHE A CE2 
671  C CZ  . PHE A 121 ? 0.25076 0.30268 0.40001 0.00916  -0.09337 -0.01497 698 PHE A CZ  
672  N N   . LEU A 122 ? 0.28882 0.25421 0.41006 -0.02290 -0.05829 0.04303  699 LEU A N   
673  C CA  . LEU A 122 ? 0.29911 0.27499 0.38625 -0.01744 -0.04867 0.05506  699 LEU A CA  
674  C C   . LEU A 122 ? 0.32265 0.30896 0.40506 -0.03111 -0.03469 0.08041  699 LEU A C   
675  O O   . LEU A 122 ? 0.29426 0.30681 0.35432 -0.03042 -0.02183 0.08088  699 LEU A O   
676  C CB  . LEU A 122 ? 0.33894 0.29541 0.40946 -0.00559 -0.05745 0.05541  699 LEU A CB  
677  C CG  . LEU A 122 ? 0.32200 0.27292 0.39176 0.00649  -0.06355 0.03249  699 LEU A CG  
678  C CD1 . LEU A 122 ? 0.39415 0.33454 0.46055 0.01651  -0.06760 0.03254  699 LEU A CD1 
679  C CD2 . LEU A 122 ? 0.32033 0.28996 0.37533 0.01164  -0.05816 0.02251  699 LEU A CD2 
680  N N   . GLU A 123 ? 0.33471 0.30064 0.43843 -0.04417 -0.03556 0.10155  700 GLU A N   
681  C CA  . GLU A 123 ? 0.34594 0.32220 0.43950 -0.06023 -0.01793 0.13384  700 GLU A CA  
682  C C   . GLU A 123 ? 0.37356 0.38813 0.49083 -0.07350 0.00361  0.12624  700 GLU A C   
683  O O   . GLU A 123 ? 0.38017 0.42606 0.47171 -0.07918 0.02573  0.13644  700 GLU A O   
684  C CB  . GLU A 123 ? 0.39149 0.32952 0.51077 -0.07265 -0.02406 0.16488  700 GLU A CB  
685  C CG  . GLU A 123 ? 0.52589 0.46016 0.60443 -0.07957 -0.01563 0.21037  700 GLU A CG  
686  C CD  . GLU A 123 ? 0.62229 0.55913 0.64630 -0.05879 -0.03033 0.20949  700 GLU A CD  
687  O OE1 . GLU A 123 ? 0.65911 0.57447 0.69612 -0.04182 -0.05245 0.19158  700 GLU A OE1 
688  O OE2 . GLU A 123 ? 0.73558 0.70059 0.70643 -0.05965 -0.01917 0.22275  700 GLU A OE2 
689  N N   . LYS A 124 ? 0.31499 0.33262 0.48300 -0.07714 -0.00348 0.10426  701 LYS A N   
690  C CA  . LYS A 124 ? 0.30653 0.36439 0.51523 -0.08925 0.01346  0.09489  701 LYS A CA  
691  C C   . LYS A 124 ? 0.28346 0.37988 0.46838 -0.07621 0.02589  0.07784  701 LYS A C   
692  O O   . LYS A 124 ? 0.30043 0.43525 0.49493 -0.08612 0.05287  0.08114  701 LYS A O   
693  C CB  . LYS A 124 ? 0.30741 0.36358 0.57258 -0.08999 -0.00715 0.06790  701 LYS A CB  
694  C CG  . LYS A 124 ? 0.26962 0.37279 0.58841 -0.09641 0.00105  0.04990  701 LYS A CG  
695  C CD  . LYS A 124 ? 0.27241 0.37266 0.64965 -0.10024 -0.02572 0.02517  701 LYS A CD  
696  C CE  . LYS A 124 ? 0.23846 0.39019 0.67841 -0.10303 -0.02507 0.00417  701 LYS A CE  
697  N NZ  . LYS A 124 ? 0.24326 0.39177 0.72433 -0.10308 -0.05502 -0.02253 701 LYS A NZ  
698  N N   . TYR A 125 ? 0.26183 0.34886 0.41999 -0.05464 0.00906  0.05879  702 TYR A N   
699  C CA  . TYR A 125 ? 0.26125 0.37578 0.41016 -0.04066 0.01603  0.03914  702 TYR A CA  
700  C C   . TYR A 125 ? 0.27624 0.38827 0.37066 -0.03309 0.02247  0.04287  702 TYR A C   
701  O O   . TYR A 125 ? 0.25785 0.38576 0.34712 -0.02053 0.02548  0.02213  702 TYR A O   
702  C CB  . TYR A 125 ? 0.23723 0.34289 0.40073 -0.02345 -0.00713 0.01844  702 TYR A CB  
703  C CG  . TYR A 125 ? 0.23101 0.35094 0.44821 -0.02764 -0.01870 0.00784  702 TYR A CG  
704  C CD1 . TYR A 125 ? 0.19640 0.35666 0.46172 -0.02619 -0.01126 -0.00644 702 TYR A CD1 
705  C CD2 . TYR A 125 ? 0.21879 0.31590 0.44497 -0.03195 -0.03893 0.00683  702 TYR A CD2 
706  C CE1 . TYR A 125 ? 0.19112 0.36986 0.51352 -0.02921 -0.02705 -0.01861 702 TYR A CE1 
707  C CE2 . TYR A 125 ? 0.23282 0.34680 0.50965 -0.03577 -0.05492 -0.00849 702 TYR A CE2 
708  C CZ  . TYR A 125 ? 0.19750 0.35318 0.52325 -0.03459 -0.05047 -0.01972 702 TYR A CZ  
709  O OH  . TYR A 125 ? 0.21197 0.38945 0.59570 -0.03756 -0.07135 -0.03719 702 TYR A OH  
710  N N   . LYS A 126 ? 0.27971 0.37238 0.33918 -0.03988 0.02171  0.06758  703 LYS A N   
711  C CA  . LYS A 126 ? 0.30874 0.40390 0.31603 -0.03292 0.02194  0.07076  703 LYS A CA  
712  C C   . LYS A 126 ? 0.28210 0.36541 0.28500 -0.01494 0.00491  0.04703  703 LYS A C   
713  O O   . LYS A 126 ? 0.27679 0.37668 0.26083 -0.00711 0.00772  0.02914  703 LYS A O   
714  C CB  . LYS A 126 ? 0.32129 0.45991 0.30633 -0.03826 0.04851  0.06572  703 LYS A CB  
715  C CG  . LYS A 126 ? 0.41277 0.56724 0.40155 -0.06011 0.07288  0.09524  703 LYS A CG  
716  C CD  . LYS A 126 ? 0.52140 0.69714 0.44296 -0.06613 0.08943  0.11542  703 LYS A CD  
717  C CE  . LYS A 126 ? 0.61216 0.80142 0.53704 -0.09145 0.11869  0.15378  703 LYS A CE  
718  N NZ  . LYS A 126 ? 0.63627 0.86459 0.62500 -0.10157 0.14661  0.13281  703 LYS A NZ  
719  N N   . ILE A 127 ? 0.23407 0.28963 0.25634 -0.00967 -0.01135 0.04549  704 ILE A N   
720  C CA  . ILE A 127 ? 0.23810 0.28149 0.26060 0.00370  -0.02264 0.02934  704 ILE A CA  
721  C C   . ILE A 127 ? 0.24676 0.27706 0.24748 0.00783  -0.03337 0.03527  704 ILE A C   
722  O O   . ILE A 127 ? 0.30017 0.31316 0.29849 0.00522  -0.04147 0.05217  704 ILE A O   
723  C CB  . ILE A 127 ? 0.20536 0.23142 0.24883 0.00721  -0.03204 0.02592  704 ILE A CB  
724  C CG1 . ILE A 127 ? 0.23355 0.27711 0.30389 0.00693  -0.02892 0.01733  704 ILE A CG1 
725  C CG2 . ILE A 127 ? 0.22759 0.23970 0.26579 0.01765  -0.03838 0.01804  704 ILE A CG2 
726  C CD1 . ILE A 127 ? 0.24221 0.27514 0.32731 0.00752  -0.04244 0.01545  704 ILE A CD1 
727  N N   . ASP A 128 ? 0.21584 0.25389 0.21101 0.01508  -0.03603 0.01892  705 ASP A N   
728  C CA  . ASP A 128 ? 0.23232 0.26501 0.21878 0.01990  -0.04988 0.01906  705 ASP A CA  
729  C C   . ASP A 128 ? 0.24571 0.26063 0.25830 0.02521  -0.05514 0.01378  705 ASP A C   
730  O O   . ASP A 128 ? 0.25489 0.26199 0.27367 0.02871  -0.06573 0.01937  705 ASP A O   
731  C CB  . ASP A 128 ? 0.25093 0.30598 0.22459 0.02302  -0.05184 -0.00156 705 ASP A CB  
732  C CG  . ASP A 128 ? 0.32454 0.40453 0.25918 0.01823  -0.04375 0.00297  705 ASP A CG  
733  O OD1 . ASP A 128 ? 0.35577 0.43349 0.26136 0.01448  -0.04956 0.02973  705 ASP A OD1 
734  O OD2 . ASP A 128 ? 0.29216 0.39416 0.22650 0.01841  -0.03004 -0.01880 705 ASP A OD2 
735  N N   . TYR A 129 ? 0.23980 0.25006 0.26902 0.02659  -0.04712 0.00452  706 TYR A N   
736  C CA  . TYR A 129 ? 0.22589 0.22389 0.27221 0.02933  -0.04507 0.00284  706 TYR A CA  
737  C C   . TYR A 129 ? 0.22983 0.21863 0.27432 0.03000  -0.03855 0.00754  706 TYR A C   
738  O O   . TYR A 129 ? 0.20973 0.20238 0.25602 0.03063  -0.03715 0.00642  706 TYR A O   
739  C CB  . TYR A 129 ? 0.21229 0.21431 0.28146 0.02962  -0.04365 -0.00991 706 TYR A CB  
740  C CG  . TYR A 129 ? 0.22144 0.23837 0.29382 0.03051  -0.05666 -0.02016 706 TYR A CG  
741  C CD1 . TYR A 129 ? 0.20280 0.23511 0.25948 0.03050  -0.06232 -0.03190 706 TYR A CD1 
742  C CD2 . TYR A 129 ? 0.19551 0.21564 0.28592 0.03309  -0.06486 -0.02040 706 TYR A CD2 
743  C CE1 . TYR A 129 ? 0.23724 0.28678 0.28537 0.03270  -0.07885 -0.04142 706 TYR A CE1 
744  C CE2 . TYR A 129 ? 0.22261 0.25930 0.31613 0.03639  -0.08418 -0.02897 706 TYR A CE2 
745  C CZ  . TYR A 129 ? 0.20014 0.25109 0.26714 0.03603  -0.09280 -0.03844 706 TYR A CZ  
746  O OH  . TYR A 129 ? 0.23523 0.30623 0.29355 0.04051  -0.11618 -0.04749 706 TYR A OH  
747  N N   . VAL A 130 ? 0.25754 0.23777 0.29909 0.03160  -0.03577 0.01043  707 VAL A N   
748  C CA  . VAL A 130 ? 0.22915 0.20313 0.25816 0.03385  -0.03228 0.01545  707 VAL A CA  
749  C C   . VAL A 130 ? 0.25656 0.22580 0.29127 0.03352  -0.02020 0.02097  707 VAL A C   
750  O O   . VAL A 130 ? 0.25779 0.23106 0.30544 0.03151  -0.01158 0.01663  707 VAL A O   
751  C CB  . VAL A 130 ? 0.23315 0.20459 0.24802 0.03542  -0.03542 0.01085  707 VAL A CB  
752  C CG1 . VAL A 130 ? 0.31079 0.28092 0.30001 0.03920  -0.03415 0.01459  707 VAL A CG1 
753  C CG2 . VAL A 130 ? 0.27841 0.25017 0.29958 0.03195  -0.04650 0.00864  707 VAL A CG2 
754  N N   . ALA A 131 ? 0.24689 0.20778 0.27985 0.03521  -0.01948 0.03217  708 ALA A N   
755  C CA  . ALA A 131 ? 0.26582 0.21585 0.30829 0.03222  -0.00660 0.04579  708 ALA A CA  
756  C C   . ALA A 131 ? 0.34127 0.28511 0.34492 0.03557  -0.00314 0.06521  708 ALA A C   
757  O O   . ALA A 131 ? 0.36546 0.30645 0.35126 0.04293  -0.01850 0.07170  708 ALA A O   
758  C CB  . ALA A 131 ? 0.25857 0.19724 0.33413 0.03269  -0.01068 0.04687  708 ALA A CB  
759  N N   . HIS A 132 ? 0.29552 0.24196 0.28644 0.03055  0.01685  0.07354  709 HIS A N   
760  C CA  . HIS A 132 ? 0.41409 0.36086 0.35231 0.03378  0.02256  0.09076  709 HIS A CA  
761  C C   . HIS A 132 ? 0.43470 0.38437 0.37137 0.02402  0.05432  0.10675  709 HIS A C   
762  O O   . HIS A 132 ? 0.36767 0.32678 0.34869 0.01592  0.06984  0.09394  709 HIS A O   
763  C CB  . HIS A 132 ? 0.43170 0.39482 0.33694 0.04009  0.01336  0.06743  709 HIS A CB  
764  C CG  . HIS A 132 ? 0.49814 0.46458 0.34286 0.04717  0.00512  0.07754  709 HIS A CG  
765  N ND1 . HIS A 132 ? 0.51480 0.49150 0.31064 0.04611  0.02629  0.08645  709 HIS A ND1 
766  C CD2 . HIS A 132 ? 0.49907 0.46486 0.32325 0.05586  -0.02333 0.07863  709 HIS A CD2 
767  C CE1 . HIS A 132 ? 0.55579 0.53653 0.29351 0.05483  0.00839  0.09331  709 HIS A CE1 
768  N NE2 . HIS A 132 ? 0.57446 0.54858 0.33328 0.06123  -0.02428 0.08800  709 HIS A NE2 
769  N N   . ASP A 133 ? 0.45143 0.39590 0.33818 0.02440  0.06370  0.13642  710 ASP A N   
770  C CA  . ASP A 133 ? 0.48557 0.44055 0.36142 0.01309  0.10137  0.15247  710 ASP A CA  
771  C C   . ASP A 133 ? 0.50662 0.49483 0.37428 0.01479  0.11673  0.11586  710 ASP A C   
772  O O   . ASP A 133 ? 0.52436 0.52143 0.36802 0.02597  0.09686  0.08814  710 ASP A O   
773  C CB  . ASP A 133 ? 0.59937 0.54471 0.40585 0.01405  0.10847  0.19583  710 ASP A CB  
774  C CG  . ASP A 133 ? 0.68665 0.64300 0.41962 0.02983  0.08265  0.18586  710 ASP A CG  
775  O OD1 . ASP A 133 ? 0.72188 0.70616 0.42982 0.03352  0.08847  0.15000  710 ASP A OD1 
776  O OD2 . ASP A 133 ? 0.77674 0.71458 0.48457 0.03946  0.05405  0.21056  710 ASP A OD2 
777  N N   . ASP A 134 ? 0.50514 0.51200 0.40510 0.00350  0.15203  0.11328  711 ASP A N   
778  C CA  . ASP A 134 ? 0.53454 0.57384 0.45267 0.00730  0.16598  0.07311  711 ASP A CA  
779  C C   . ASP A 134 ? 0.58600 0.65398 0.44854 0.00576  0.20311  0.07419  711 ASP A C   
780  O O   . ASP A 134 ? 0.57963 0.65154 0.42915 -0.00776 0.23641  0.10842  711 ASP A O   
781  C CB  . ASP A 134 ? 0.50791 0.55826 0.51704 -0.00146 0.17630  0.05920  711 ASP A CB  
782  C CG  . ASP A 134 ? 0.50398 0.58054 0.54975 0.00861  0.17415  0.01553  711 ASP A CG  
783  O OD1 . ASP A 134 ? 0.52156 0.60624 0.52668 0.02080  0.16999  -0.00659 711 ASP A OD1 
784  O OD2 . ASP A 134 ? 0.45172 0.54010 0.57288 0.00522  0.17345  0.00186  711 ASP A OD2 
785  N N   . ASP A 144 ? 0.60343 0.73852 0.51605 0.09728  0.14117  -0.25276 739 ASP A N   
786  C CA  . ASP A 144 ? 0.53658 0.65647 0.46400 0.08871  0.13079  -0.21123 739 ASP A CA  
787  C C   . ASP A 144 ? 0.55798 0.63774 0.50254 0.08916  0.08408  -0.20537 739 ASP A C   
788  O O   . ASP A 144 ? 0.49971 0.56016 0.51259 0.09433  0.06577  -0.21620 739 ASP A O   
789  C CB  . ASP A 144 ? 0.54902 0.67788 0.55741 0.08674  0.14693  -0.20207 739 ASP A CB  
790  C CG  . ASP A 144 ? 0.53099 0.63846 0.55324 0.07385  0.13296  -0.15278 739 ASP A CG  
791  O OD1 . ASP A 144 ? 0.54676 0.63204 0.52008 0.06723  0.11409  -0.12451 739 ASP A OD1 
792  O OD2 . ASP A 144 ? 0.51467 0.63049 0.60262 0.07162  0.13921  -0.14680 739 ASP A OD2 
793  N N   . ILE A 145 ? 0.54279 0.61151 0.42793 0.08365  0.06493  -0.18555 740 ILE A N   
794  C CA  . ILE A 145 ? 0.55579 0.59407 0.46146 0.08152  0.02586  -0.18111 740 ILE A CA  
795  C C   . ILE A 145 ? 0.53920 0.55631 0.49292 0.07430  0.01612  -0.14545 740 ILE A C   
796  O O   . ILE A 145 ? 0.52687 0.52122 0.50762 0.07121  -0.00985 -0.14013 740 ILE A O   
797  C CB  . ILE A 145 ? 0.57712 0.61646 0.41724 0.07866  0.00668  -0.16982 740 ILE A CB  
798  C CG1 . ILE A 145 ? 0.61809 0.65805 0.42385 0.07155  0.01591  -0.11937 740 ILE A CG1 
799  C CG2 . ILE A 145 ? 0.61780 0.68255 0.39778 0.08696  0.01189  -0.20796 740 ILE A CG2 
800  C CD1 . ILE A 145 ? 0.66403 0.70387 0.41488 0.07226  -0.00852 -0.10359 740 ILE A CD1 
801  N N   . TYR A 146 ? 0.51044 0.53729 0.47660 0.07041  0.03733  -0.12275 741 TYR A N   
802  C CA  . TYR A 146 ? 0.44196 0.45453 0.44703 0.06452  0.02707  -0.09510 741 TYR A CA  
803  C C   . TYR A 146 ? 0.37914 0.39550 0.44915 0.07024  0.02952  -0.10646 741 TYR A C   
804  O O   . TYR A 146 ? 0.34678 0.35742 0.44552 0.06664  0.01997  -0.08679 741 TYR A O   
805  C CB  . TYR A 146 ? 0.50298 0.52049 0.48422 0.05536  0.04074  -0.06234 741 TYR A CB  
806  C CG  . TYR A 146 ? 0.56004 0.56979 0.48645 0.05311  0.02961  -0.04565 741 TYR A CG  
807  C CD1 . TYR A 146 ? 0.56550 0.56046 0.49354 0.05334  0.00122  -0.04546 741 TYR A CD1 
808  C CD2 . TYR A 146 ? 0.56111 0.58029 0.43737 0.05104  0.04696  -0.02840 741 TYR A CD2 
809  C CE1 . TYR A 146 ? 0.58268 0.57581 0.47291 0.05359  -0.01298 -0.03354 741 TYR A CE1 
810  C CE2 . TYR A 146 ? 0.58140 0.59345 0.41010 0.05263  0.02979  -0.01112 741 TYR A CE2 
811  C CZ  . TYR A 146 ? 0.60130 0.60212 0.44161 0.05499  -0.00186 -0.01661 741 TYR A CZ  
812  O OH  . TYR A 146 ? 0.56375 0.56257 0.36984 0.05860  -0.02283 -0.00267 741 TYR A OH  
813  N N   . ALA A 147 ? 0.42429 0.36216 0.32818 0.04970  0.05355  -0.07951 742 ALA A N   
814  C CA  . ALA A 147 ? 0.43277 0.37621 0.37740 0.06286  0.06820  -0.08054 742 ALA A CA  
815  C C   . ALA A 147 ? 0.39451 0.33560 0.37688 0.05220  0.04601  -0.07256 742 ALA A C   
816  O O   . ALA A 147 ? 0.32650 0.28870 0.35127 0.05424  0.04918  -0.05995 742 ALA A O   
817  C CB  . ALA A 147 ? 0.47173 0.38151 0.38801 0.08431  0.08559  -0.10400 742 ALA A CB  
818  N N   . TRP A 148 ? 0.36349 0.28028 0.33065 0.03770  0.02139  -0.07651 743 TRP A N   
819  C CA  . TRP A 148 ? 0.33152 0.24894 0.33272 0.02438  0.00431  -0.06328 743 TRP A CA  
820  C C   . TRP A 148 ? 0.28008 0.24094 0.30807 0.01420  0.00715  -0.04259 743 TRP A C   
821  O O   . TRP A 148 ? 0.26715 0.23492 0.31888 0.00935  0.00360  -0.02964 743 TRP A O   
822  C CB  . TRP A 148 ? 0.38856 0.27588 0.37644 0.00592  -0.02245 -0.06734 743 TRP A CB  
823  C CG  . TRP A 148 ? 0.41440 0.32629 0.39880 -0.01152 -0.03532 -0.05946 743 TRP A CG  
824  C CD1 . TRP A 148 ? 0.47739 0.38174 0.42535 -0.01222 -0.04346 -0.06976 743 TRP A CD1 
825  C CD2 . TRP A 148 ? 0.37037 0.31947 0.39163 -0.02932 -0.04217 -0.03788 743 TRP A CD2 
826  N NE1 . TRP A 148 ? 0.44022 0.37791 0.41061 -0.02837 -0.05897 -0.05397 743 TRP A NE1 
827  C CE2 . TRP A 148 ? 0.39525 0.36314 0.41358 -0.03744 -0.05459 -0.03553 743 TRP A CE2 
828  C CE3 . TRP A 148 ? 0.32371 0.29317 0.37740 -0.03803 -0.03734 -0.01919 743 TRP A CE3 
829  C CZ2 . TRP A 148 ? 0.36901 0.38092 0.42870 -0.05050 -0.05887 -0.01603 743 TRP A CZ2 
830  C CZ3 . TRP A 148 ? 0.37120 0.38097 0.45288 -0.05232 -0.03733 -0.00169 743 TRP A CZ3 
831  C CH2 . TRP A 148 ? 0.34700 0.38048 0.43781 -0.05668 -0.04625 -0.00068 743 TRP A CH2 
832  N N   . LEU A 149 ? 0.27418 0.25869 0.29349 0.01181  0.01235  -0.03948 744 LEU A N   
833  C CA  . LEU A 149 ? 0.25642 0.27209 0.29538 0.00683  0.01772  -0.02562 744 LEU A CA  
834  C C   . LEU A 149 ? 0.23317 0.25805 0.28466 0.01472  0.02984  -0.02220 744 LEU A C   
835  O O   . LEU A 149 ? 0.22359 0.25819 0.28728 0.00879  0.02740  -0.01319 744 LEU A O   
836  C CB  . LEU A 149 ? 0.26012 0.29165 0.29159 0.00630  0.01829  -0.02321 744 LEU A CB  
837  C CG  . LEU A 149 ? 0.30556 0.34353 0.34488 -0.00541 0.00128  -0.01934 744 LEU A CG  
838  C CD1 . LEU A 149 ? 0.32720 0.37370 0.35719 -0.00247 -0.00587 -0.01740 744 LEU A CD1 
839  C CD2 . LEU A 149 ? 0.26768 0.33118 0.33687 -0.01370 0.00505  -0.00683 744 LEU A CD2 
840  N N   . LYS A 150 ? 0.22765 0.25113 0.27509 0.02624  0.04251  -0.02794 745 LYS A N   
841  C CA  . LYS A 150 ? 0.20007 0.23966 0.27395 0.03093  0.05151  -0.02120 745 LYS A CA  
842  C C   . LYS A 150 ? 0.24331 0.27876 0.34318 0.03336  0.04169  -0.01694 745 LYS A C   
843  O O   . LYS A 150 ? 0.22433 0.27365 0.34610 0.02801  0.03416  -0.00575 745 LYS A O   
844  C CB  . LYS A 150 ? 0.25725 0.30283 0.32890 0.04284  0.07240  -0.02501 745 LYS A CB  
845  C CG  . LYS A 150 ? 0.25165 0.29984 0.29595 0.03853  0.07998  -0.02184 745 LYS A CG  
846  C CD  . LYS A 150 ? 0.35295 0.40259 0.37926 0.04930  0.10422  -0.02473 745 LYS A CD  
847  C CE  . LYS A 150 ? 0.39166 0.43651 0.38006 0.04326  0.10718  -0.01723 745 LYS A CE  
848  N NZ  . LYS A 150 ? 0.44875 0.48946 0.39943 0.05254  0.13253  -0.02015 745 LYS A NZ  
849  N N   . ARG A 151 ? 0.23363 0.24437 0.32914 0.04103  0.03777  -0.02528 746 ARG A N   
850  C CA  . ARG A 151 ? 0.24009 0.23976 0.36220 0.04519  0.02504  -0.01795 746 ARG A CA  
851  C C   . ARG A 151 ? 0.24803 0.24901 0.36658 0.02605  0.00636  -0.00170 746 ARG A C   
852  O O   . ARG A 151 ? 0.26680 0.26958 0.40524 0.02500  -0.00693 0.01253  746 ARG A O   
853  C CB  . ARG A 151 ? 0.28329 0.24251 0.39569 0.05660  0.02226  -0.03212 746 ARG A CB  
854  C CG  . ARG A 151 ? 0.36104 0.29549 0.49523 0.05637  0.00165  -0.02059 746 ARG A CG  
855  C CD  . ARG A 151 ? 0.49036 0.39971 0.64939 0.08432  0.00679  -0.03095 746 ARG A CD  
856  N NE  . ARG A 151 ? 0.54348 0.40922 0.66858 0.09658  0.01574  -0.05892 746 ARG A NE  
857  C CZ  . ARG A 151 ? 0.59969 0.40750 0.70913 0.09500  -0.00231 -0.06791 746 ARG A CZ  
858  N NH1 . ARG A 151 ? 0.54526 0.33484 0.66870 0.07688  -0.02942 -0.04652 746 ARG A NH1 
859  N NH2 . ARG A 151 ? 0.64641 0.40838 0.72009 0.11052  0.00651  -0.09874 746 ARG A NH2 
860  N N   . ALA A 152 ? 0.22149 0.22438 0.31508 0.01150  0.00581  -0.00175 747 ALA A N   
861  C CA  . ALA A 152 ? 0.25896 0.26628 0.34323 -0.00545 -0.00298 0.01305  747 ALA A CA  
862  C C   . ALA A 152 ? 0.24593 0.27382 0.31981 -0.00992 0.00217  0.01613  747 ALA A C   
863  O O   . ALA A 152 ? 0.24879 0.27843 0.30391 -0.02171 -0.00106 0.02604  747 ALA A O   
864  C CB  . ALA A 152 ? 0.26182 0.26814 0.33593 -0.01777 -0.00289 0.01327  747 ALA A CB  
865  N N   . GLY A 153 ? 0.19178 0.23050 0.27266 -0.00195 0.01047  0.00799  748 GLY A N   
866  C CA  . GLY A 153 ? 0.19243 0.23890 0.26155 -0.00757 0.01162  0.00788  748 GLY A CA  
867  C C   . GLY A 153 ? 0.19461 0.24401 0.24386 -0.00843 0.02368  0.00097  748 GLY A C   
868  O O   . GLY A 153 ? 0.20846 0.25437 0.23898 -0.01168 0.02574  -0.00227 748 GLY A O   
869  N N   . LYS A 154 ? 0.21476 0.26811 0.26840 -0.00456 0.02956  -0.00209 749 LYS A N   
870  C CA  . LYS A 154 ? 0.21133 0.27519 0.26055 -0.00322 0.03830  -0.00439 749 LYS A CA  
871  C C   . LYS A 154 ? 0.22141 0.28608 0.27433 0.00582  0.04163  -0.00927 749 LYS A C   
872  O O   . LYS A 154 ? 0.25067 0.32603 0.30955 0.00975  0.04441  -0.00856 749 LYS A O   
873  C CB  . LYS A 154 ? 0.21877 0.29255 0.27724 -0.01084 0.03598  0.00244  749 LYS A CB  
874  C CG  . LYS A 154 ? 0.22597 0.29720 0.27660 -0.02270 0.03364  0.01361  749 LYS A CG  
875  C CD  . LYS A 154 ? 0.24079 0.32378 0.30803 -0.03514 0.03178  0.02505  749 LYS A CD  
876  C CE  . LYS A 154 ? 0.29779 0.37672 0.35300 -0.05009 0.03111  0.04251  749 LYS A CE  
877  N NZ  . LYS A 154 ? 0.33750 0.42876 0.36427 -0.04950 0.04946  0.04443  749 LYS A NZ  
878  N N   . PHE A 155 ? 0.21540 0.27221 0.26786 0.00935  0.04199  -0.01085 750 PHE A N   
879  C CA  . PHE A 155 ? 0.21614 0.27057 0.26291 0.01530  0.04568  -0.01050 750 PHE A CA  
880  C C   . PHE A 155 ? 0.24869 0.29586 0.29640 0.01522  0.04964  -0.00785 750 PHE A C   
881  O O   . PHE A 155 ? 0.23849 0.28372 0.29391 0.00944  0.04915  -0.00645 750 PHE A O   
882  C CB  . PHE A 155 ? 0.22611 0.27568 0.26471 0.01872  0.04940  -0.01232 750 PHE A CB  
883  C CG  . PHE A 155 ? 0.26508 0.30976 0.28391 0.02234  0.05251  -0.00863 750 PHE A CG  
884  C CD1 . PHE A 155 ? 0.31203 0.35499 0.31855 0.02291  0.04059  -0.00769 750 PHE A CD1 
885  C CD2 . PHE A 155 ? 0.29751 0.34185 0.31285 0.02298  0.06528  -0.00168 750 PHE A CD2 
886  C CE1 . PHE A 155 ? 0.34871 0.38395 0.33100 0.02537  0.03793  -0.00024 750 PHE A CE1 
887  C CE2 . PHE A 155 ? 0.36969 0.40624 0.35869 0.02415  0.06787  0.00672  750 PHE A CE2 
888  C CZ  . PHE A 155 ? 0.35337 0.38252 0.32151 0.02597  0.05241  0.00724  750 PHE A CZ  
889  N N   . LYS A 156 ? 0.21433 0.25549 0.25857 0.02092  0.04984  -0.00556 751 LYS A N   
890  C CA  . LYS A 156 ? 0.23340 0.25571 0.27682 0.02047  0.05069  -0.00225 751 LYS A CA  
891  C C   . LYS A 156 ? 0.28111 0.29720 0.31765 0.02361  0.05046  0.00998  751 LYS A C   
892  O O   . LYS A 156 ? 0.26515 0.28410 0.29899 0.03216  0.04463  0.01345  751 LYS A O   
893  C CB  . LYS A 156 ? 0.24621 0.25546 0.28820 0.02803  0.05125  -0.01067 751 LYS A CB  
894  C CG  . LYS A 156 ? 0.28425 0.29018 0.31530 0.02194  0.05207  -0.02166 751 LYS A CG  
895  C CD  . LYS A 156 ? 0.31695 0.29925 0.34154 0.00913  0.04304  -0.02298 751 LYS A CD  
896  C CE  . LYS A 156 ? 0.32786 0.30802 0.33609 -0.00125 0.03546  -0.02972 751 LYS A CE  
897  N NZ  . LYS A 156 ? 0.28457 0.24232 0.29158 -0.01734 0.01869  -0.02970 751 LYS A NZ  
898  N N   . ALA A 157 ? 0.25738 0.26752 0.29299 0.01523  0.05559  0.02003  752 ALA A N   
899  C CA  . ALA A 157 ? 0.31759 0.31955 0.33674 0.01537  0.05770  0.03633  752 ALA A CA  
900  C C   . ALA A 157 ? 0.35685 0.32988 0.37841 0.01834  0.04845  0.04574  752 ALA A C   
901  O O   . ALA A 157 ? 0.33733 0.29016 0.37211 0.01421  0.04538  0.04089  752 ALA A O   
902  C CB  . ALA A 157 ? 0.34463 0.35642 0.36581 0.00452  0.07298  0.04782  752 ALA A CB  
903  N N   . THR A 158 ? 0.35858 0.32418 0.36473 0.02610  0.04041  0.05871  753 THR A N   
904  C CA  . THR A 158 ? 0.38526 0.31842 0.39423 0.03105  0.02985  0.07416  753 THR A CA  
905  C C   . THR A 158 ? 0.47815 0.40301 0.45624 0.02296  0.02905  0.10133  753 THR A C   
906  O O   . THR A 158 ? 0.49462 0.43922 0.44301 0.02006  0.03449  0.10264  753 THR A O   
907  C CB  . THR A 158 ? 0.39842 0.33112 0.42540 0.05238  0.01673  0.06921  753 THR A CB  
908  O OG1 . THR A 158 ? 0.39308 0.35219 0.40990 0.05606  0.00665  0.07448  753 THR A OG1 
909  C CG2 . THR A 158 ? 0.33534 0.27735 0.38458 0.06052  0.02488  0.04365  753 THR A CG2 
910  N N   . GLN A 159 ? 0.44997 0.52296 0.59237 0.02579  0.10643  -0.07654 754 GLN A N   
911  C CA  . GLN A 159 ? 0.47818 0.56587 0.60025 0.02817  0.12757  -0.07443 754 GLN A CA  
912  C C   . GLN A 159 ? 0.49965 0.57290 0.58508 0.02964  0.13053  -0.05569 754 GLN A C   
913  O O   . GLN A 159 ? 0.49128 0.54301 0.57684 0.02311  0.12702  -0.03925 754 GLN A O   
914  C CB  . GLN A 159 ? 0.47907 0.58183 0.63036 0.01445  0.14769  -0.06331 754 GLN A CB  
915  C CG  . GLN A 159 ? 0.46776 0.59662 0.65805 0.01475  0.14945  -0.07713 754 GLN A CG  
916  C CD  . GLN A 159 ? 0.44003 0.55138 0.65355 0.00935  0.12536  -0.09139 754 GLN A CD  
917  O OE1 . GLN A 159 ? 0.43733 0.52256 0.65001 0.00137  0.11503  -0.08569 754 GLN A OE1 
918  N NE2 . GLN A 159 ? 0.42795 0.55406 0.65943 0.01831  0.11455  -0.11015 754 GLN A NE2 
919  N N   . ARG A 160 ? 0.53516 0.62170 0.58516 0.04328  0.13670  -0.05873 755 ARG A N   
920  C CA  . ARG A 160 ? 0.56411 0.64215 0.57603 0.04498  0.13983  -0.03876 755 ARG A CA  
921  C C   . ARG A 160 ? 0.57446 0.67409 0.59512 0.03318  0.17107  -0.00890 755 ARG A C   
922  O O   . ARG A 160 ? 0.57141 0.70154 0.62318 0.02896  0.19062  -0.00342 755 ARG A O   
923  C CB  . ARG A 160 ? 0.63398 0.71439 0.59282 0.07097  0.12641  -0.05726 755 ARG A CB  
924  C CG  . ARG A 160 ? 0.68003 0.72576 0.64034 0.07860  0.07904  -0.07794 755 ARG A CG  
925  C CD  . ARG A 160 ? 0.75099 0.79204 0.66638 0.11163  0.05662  -0.11550 755 ARG A CD  
926  N NE  . ARG A 160 ? 0.85955 0.91014 0.70152 0.13377  0.06869  -0.11349 755 ARG A NE  
927  C CZ  . ARG A 160 ? 0.94332 0.95895 0.73501 0.14924  0.02925  -0.12272 755 ARG A CZ  
928  N NH1 . ARG A 160 ? 0.92599 0.89431 0.74580 0.14191  -0.02823 -0.13048 755 ARG A NH1 
929  N NH2 . ARG A 160 ? 0.96713 0.99849 0.68322 0.17308  0.04440  -0.11881 755 ARG A NH2 
930  N N   . THR A 161 ? 0.58819 0.67340 0.59281 0.02634  0.17180  0.01672  756 THR A N   
931  C CA  . THR A 161 ? 0.60537 0.70973 0.62494 0.01396  0.19418  0.05368  756 THR A CA  
932  C C   . THR A 161 ? 0.67227 0.79888 0.63858 0.02850  0.20316  0.07128  756 THR A C   
933  O O   . THR A 161 ? 0.69183 0.79053 0.61975 0.03536  0.18199  0.06521  756 THR A O   
934  C CB  . THR A 161 ? 0.59109 0.65580 0.64006 -0.00401 0.18386  0.07033  756 THR A CB  
935  O OG1 . THR A 161 ? 0.56286 0.60264 0.63990 -0.00705 0.17069  0.04719  756 THR A OG1 
936  C CG2 . THR A 161 ? 0.61122 0.69064 0.69726 -0.02105 0.19711  0.11095  756 THR A CG2 
937  N N   . GLU A 162 ? 0.69814 0.87926 0.66459 0.03509  0.23294  0.09830  757 GLU A N   
938  C CA  . GLU A 162 ? 0.74486 0.95709 0.64710 0.05771  0.24473  0.11611  757 GLU A CA  
939  C C   . GLU A 162 ? 0.75013 0.96619 0.67187 0.03663  0.25148  0.16919  757 GLU A C   
940  O O   . GLU A 162 ? 0.71916 0.92137 0.71210 0.00700  0.25044  0.19439  757 GLU A O   
941  C CB  . GLU A 162 ? 0.78065 1.06603 0.66367 0.08818  0.27963  0.12389  757 GLU A CB  
942  C CG  . GLU A 162 ? 0.83223 1.11739 0.71145 0.10943  0.27479  0.07402  757 GLU A CG  
943  C CD  . GLU A 162 ? 0.88018 1.10511 0.70306 0.12702  0.23122  0.01728  757 GLU A CD  
944  O OE1 . GLU A 162 ? 0.90232 1.09153 0.68097 0.12750  0.20605  0.01733  757 GLU A OE1 
945  O OE2 . GLU A 162 ? 0.88888 1.10228 0.72220 0.13850  0.21753  -0.02280 757 GLU A OE2 
946  N N   . GLY A 163 ? 0.80269 1.03178 0.65836 0.05456  0.25175  0.18365  758 GLY A N   
947  C CA  . GLY A 163 ? 0.82170 1.06475 0.69126 0.03833  0.25928  0.23969  758 GLY A CA  
948  C C   . GLY A 163 ? 0.78928 0.96802 0.69254 0.01063  0.23120  0.24435  758 GLY A C   
949  O O   . GLY A 163 ? 0.80373 0.98818 0.72943 -0.00489 0.23359  0.29140  758 GLY A O   
950  N N   . VAL A 164 ? 0.75044 0.87415 0.66072 0.00751  0.20591  0.20217  759 VAL A N   
951  C CA  . VAL A 164 ? 0.72263 0.79460 0.66879 -0.00977 0.18616  0.20848  759 VAL A CA  
952  C C   . VAL A 164 ? 0.73499 0.77555 0.64117 -0.00044 0.15863  0.19867  759 VAL A C   
953  O O   . VAL A 164 ? 0.71066 0.71601 0.64743 -0.00812 0.14505  0.20692  759 VAL A O   
954  C CB  . VAL A 164 ? 0.67707 0.71894 0.67192 -0.01682 0.18065  0.18137  759 VAL A CB  
955  C CG1 . VAL A 164 ? 0.67467 0.73433 0.72609 -0.03232 0.19450  0.19868  759 VAL A CG1 
956  C CG2 . VAL A 164 ? 0.65804 0.69917 0.62910 -0.00165 0.17240  0.13747  759 VAL A CG2 
957  N N   . SER A 165 ? 0.77300 0.82403 0.61435 0.01933  0.14614  0.18281  760 SER A N   
958  C CA  . SER A 165 ? 0.78589 0.79970 0.60349 0.02567  0.10620  0.17248  760 SER A CA  
959  C C   . SER A 165 ? 0.81508 0.82004 0.62376 0.01720  0.09575  0.21341  760 SER A C   
960  O O   . SER A 165 ? 0.84870 0.88401 0.63778 0.01548  0.11606  0.24430  760 SER A O   
961  C CB  . SER A 165 ? 0.83602 0.84816 0.58648 0.05302  0.08102  0.13388  760 SER A CB  
962  O OG  . SER A 165 ? 0.91179 0.94468 0.58729 0.07200  0.08210  0.14485  760 SER A OG  
963  N N   . THR A 166 ? 0.65055 0.63060 0.64542 -0.17722 0.04923  -0.22254 761 THR A N   
964  C CA  . THR A 166 ? 0.66821 0.63022 0.66722 -0.19012 0.01797  -0.22290 761 THR A CA  
965  C C   . THR A 166 ? 0.73272 0.64075 0.65935 -0.18845 0.00031  -0.23542 761 THR A C   
966  O O   . THR A 166 ? 0.76516 0.67007 0.67217 -0.19346 -0.01174 -0.23439 761 THR A O   
967  C CB  . THR A 166 ? 0.67798 0.63638 0.72924 -0.20411 -0.00638 -0.21581 761 THR A CB  
968  O OG1 . THR A 166 ? 0.53987 0.55674 0.65814 -0.20810 0.01100  -0.20451 761 THR A OG1 
969  C CG2 . THR A 166 ? 0.68618 0.62299 0.74258 -0.21805 -0.04141 -0.21436 761 THR A CG2 
970  N N   . THR A 167 ? 0.71053 0.57798 0.59891 -0.18225 -0.00089 -0.24743 762 THR A N   
971  C CA  . THR A 167 ? 0.85697 0.67710 0.67018 -0.17988 -0.01119 -0.26443 762 THR A CA  
972  C C   . THR A 167 ? 0.86027 0.69625 0.63043 -0.17268 0.00546  -0.26521 762 THR A C   
973  O O   . THR A 167 ? 0.88852 0.70888 0.62144 -0.18129 -0.01402 -0.26693 762 THR A O   
974  C CB  . THR A 167 ? 0.82592 0.61277 0.61232 -0.16829 0.00033  -0.27993 762 THR A CB  
975  O OG1 . THR A 167 ? 0.92725 0.68132 0.73591 -0.17846 -0.02611 -0.28347 762 THR A OG1 
976  C CG2 . THR A 167 ? 0.97983 0.73362 0.68527 -0.16073 0.00579  -0.30063 762 THR A CG2 
977  N N   . ASP A 168 ? 0.80961 0.67834 0.58473 -0.15806 0.04064  -0.26197 763 ASP A N   
978  C CA  . ASP A 168 ? 0.82905 0.71350 0.56402 -0.14999 0.05892  -0.26208 763 ASP A CA  
979  C C   . ASP A 168 ? 0.81702 0.73010 0.57782 -0.16042 0.04783  -0.24819 763 ASP A C   
980  O O   . ASP A 168 ? 0.79615 0.71137 0.51814 -0.15919 0.04988  -0.24689 763 ASP A O   
981  C CB  . ASP A 168 ? 0.86565 0.78295 0.61013 -0.13354 0.09800  -0.25906 763 ASP A CB  
982  C CG  . ASP A 168 ? 0.85048 0.74420 0.58609 -0.12279 0.10968  -0.26866 763 ASP A CG  
983  O OD1 . ASP A 168 ? 0.93735 0.78312 0.62950 -0.12223 0.09642  -0.28568 763 ASP A OD1 
984  O OD2 . ASP A 168 ? 0.86211 0.78657 0.63677 -0.11595 0.13166  -0.25913 763 ASP A OD2 
985  N N   . LEU A 169 ? 0.75862 0.69578 0.58815 -0.17067 0.03698  -0.23734 764 LEU A N   
986  C CA  . LEU A 169 ? 0.72907 0.69313 0.59496 -0.18003 0.02675  -0.22536 764 LEU A CA  
987  C C   . LEU A 169 ? 0.74264 0.67460 0.58663 -0.19448 -0.01143 -0.22194 764 LEU A C   
988  O O   . LEU A 169 ? 0.75236 0.69698 0.59976 -0.19982 -0.01976 -0.21168 764 LEU A O   
989  C CB  . LEU A 169 ? 0.71078 0.71443 0.66120 -0.18627 0.03024  -0.21770 764 LEU A CB  
990  C CG  . LEU A 169 ? 0.63184 0.68285 0.61151 -0.17656 0.06790  -0.21743 764 LEU A CG  
991  C CD1 . LEU A 169 ? 0.58302 0.67394 0.64240 -0.18604 0.06936  -0.21244 764 LEU A CD1 
992  C CD2 . LEU A 169 ? 0.56682 0.64422 0.53398 -0.16941 0.08872  -0.21578 764 LEU A CD2 
993  N N   . ILE A 170 ? 0.76709 0.65914 0.59161 -0.20236 -0.03630 -0.22877 765 ILE A N   
994  C CA  . ILE A 170 ? 0.83072 0.69178 0.62115 -0.21756 -0.07263 -0.22618 765 ILE A CA  
995  C C   . ILE A 170 ? 0.88462 0.72931 0.59182 -0.21299 -0.06632 -0.23398 765 ILE A C   
996  O O   . ILE A 170 ? 0.86256 0.70478 0.54518 -0.22449 -0.08710 -0.22418 765 ILE A O   
997  C CB  . ILE A 170 ? 0.86894 0.69122 0.65682 -0.22837 -0.10074 -0.23368 765 ILE A CB  
998  C CG1 . ILE A 170 ? 0.86183 0.70491 0.73522 -0.23472 -0.10849 -0.22294 765 ILE A CG1 
999  C CG2 . ILE A 170 ? 0.89327 0.68502 0.63741 -0.24614 -0.13854 -0.23170 765 ILE A CG2 
1000 C CD1 . ILE A 170 ? 0.88959 0.73104 0.78267 -0.22608 -0.09125 -0.23117 765 ILE A CD1 
1001 N N   . VAL A 171 ? 0.86941 0.70538 0.53463 -0.19689 -0.03763 -0.25020 766 VAL A N   
1002 C CA  . VAL A 171 ? 0.92755 0.75476 0.51685 -0.19077 -0.02566 -0.25866 766 VAL A CA  
1003 C C   . VAL A 171 ? 0.91289 0.77950 0.51361 -0.18795 -0.01253 -0.24136 766 VAL A C   
1004 O O   . VAL A 171 ? 0.94692 0.81178 0.49679 -0.19277 -0.01886 -0.23754 766 VAL A O   
1005 C CB  . VAL A 171 ? 0.92365 0.73713 0.47977 -0.17164 0.00529  -0.27849 766 VAL A CB  
1006 C CG1 . VAL A 171 ? 0.92928 0.74555 0.43277 -0.15457 0.01681  -0.27582 766 VAL A CG1 
1007 C CG2 . VAL A 171 ? 0.94730 0.72083 0.50258 -0.17378 -0.00975 -0.29421 766 VAL A CG2 
1008 N N   . ARG A 172 ? 0.84596 0.75057 0.51412 -0.18160 0.00546  -0.23076 767 ARG A N   
1009 C CA  . ARG A 172 ? 0.83204 0.77343 0.52013 -0.18009 0.01630  -0.21549 767 ARG A CA  
1010 C C   . ARG A 172 ? 0.85385 0.79609 0.56204 -0.19832 -0.01857 -0.19776 767 ARG A C   
1011 O O   . ARG A 172 ? 0.89160 0.84729 0.58253 -0.20096 -0.02033 -0.18516 767 ARG A O   
1012 C CB  . ARG A 172 ? 0.74822 0.73122 0.50712 -0.17195 0.04211  -0.21170 767 ARG A CB  
1013 C CG  . ARG A 172 ? 0.66882 0.68217 0.49659 -0.18192 0.03048  -0.19612 767 ARG A CG  
1014 C CD  . ARG A 172 ? 0.58645 0.64695 0.46017 -0.17303 0.06249  -0.19407 767 ARG A CD  
1015 N NE  . ARG A 172 ? 0.53641 0.60987 0.39451 -0.15876 0.09659  -0.20451 767 ARG A NE  
1016 C CZ  . ARG A 172 ? 0.47967 0.59431 0.38985 -0.15515 0.12110  -0.20608 767 ARG A CZ  
1017 N NH1 . ARG A 172 ? 0.43822 0.58353 0.42052 -0.16388 0.11728  -0.20263 767 ARG A NH1 
1018 N NH2 . ARG A 172 ? 0.46605 0.59334 0.35762 -0.14348 0.15014  -0.21160 767 ARG A NH2 
1019 N N   . ILE A 173 ? 0.83493 0.76473 0.58383 -0.21161 -0.04738 -0.19396 768 ILE A N   
1020 C CA  . ILE A 173 ? 0.86869 0.79807 0.64159 -0.23014 -0.08377 -0.17455 768 ILE A CA  
1021 C C   . ILE A 173 ? 0.92914 0.83022 0.61950 -0.24130 -0.10672 -0.17317 768 ILE A C   
1022 O O   . ILE A 173 ? 0.96837 0.88179 0.64468 -0.24931 -0.11799 -0.15549 768 ILE A O   
1023 C CB  . ILE A 173 ? 0.82449 0.74763 0.66147 -0.24157 -0.10856 -0.17095 768 ILE A CB  
1024 C CG1 . ILE A 173 ? 0.76411 0.72088 0.67874 -0.23188 -0.08293 -0.17462 768 ILE A CG1 
1025 C CG2 . ILE A 173 ? 0.82894 0.75376 0.69873 -0.26080 -0.14693 -0.14784 768 ILE A CG2 
1026 C CD1 . ILE A 173 ? 0.72770 0.67980 0.69947 -0.24083 -0.10082 -0.17468 768 ILE A CD1 
1027 N N   . LEU A 174 ? 0.95380 0.81835 0.58992 -0.24339 -0.11433 -0.19197 769 LEU A N   
1028 C CA  . LEU A 174 ? 1.01242 0.85139 0.56573 -0.25630 -0.13545 -0.19582 769 LEU A CA  
1029 C C   . LEU A 174 ? 1.07215 0.92411 0.56215 -0.24776 -0.11208 -0.19755 769 LEU A C   
1030 O O   . LEU A 174 ? 1.10283 0.94938 0.53318 -0.26200 -0.13069 -0.19185 769 LEU A O   
1031 C CB  . LEU A 174 ? 1.02033 0.81780 0.53103 -0.25743 -0.14145 -0.22235 769 LEU A CB  
1032 C CG  . LEU A 174 ? 1.03338 0.81663 0.60375 -0.26720 -0.16645 -0.21981 769 LEU A CG  
1033 C CD1 . LEU A 174 ? 1.06059 0.80083 0.58910 -0.26816 -0.17209 -0.24686 769 LEU A CD1 
1034 C CD2 . LEU A 174 ? 1.02050 0.80872 0.61840 -0.29096 -0.20887 -0.19432 769 LEU A CD2 
1035 N N   . LYS A 175 ? 1.03084 0.90285 0.53204 -0.22635 -0.07227 -0.20393 770 LYS A N   
1036 C CA  . LYS A 175 ? 1.09757 0.98451 0.54313 -0.21778 -0.04913 -0.20383 770 LYS A CA  
1037 C C   . LYS A 175 ? 1.09443 1.01353 0.56524 -0.22718 -0.06061 -0.17346 770 LYS A C   
1038 O O   . LYS A 175 ? 1.14976 1.07802 0.56473 -0.23042 -0.05822 -0.16639 770 LYS A O   
1039 C CB  . LYS A 175 ? 1.08276 0.98296 0.53914 -0.19190 -0.00466 -0.21647 770 LYS A CB  
1040 N N   . ASN A 176 ? 1.04324 0.98090 0.60049 -0.23206 -0.07293 -0.15532 771 ASN A N   
1041 C CA  . ASN A 176 ? 1.03680 1.00099 0.63319 -0.24337 -0.09037 -0.12505 771 ASN A CA  
1042 C C   . ASN A 176 ? 1.08422 1.03536 0.67851 -0.26887 -0.13785 -0.10601 771 ASN A C   
1043 O O   . ASN A 176 ? 1.07570 1.04727 0.72088 -0.28057 -0.15885 -0.07715 771 ASN A O   
1044 C CB  . ASN A 176 ? 0.97547 0.96806 0.67327 -0.23584 -0.07818 -0.11765 771 ASN A CB  
1045 N N   . TYR A 177 ? 1.11991 1.03819 0.66014 -0.27851 -0.15596 -0.12087 772 TYR A N   
1046 C CA  . TYR A 177 ? 1.15703 1.06309 0.69279 -0.30490 -0.20279 -0.10328 772 TYR A CA  
1047 C C   . TYR A 177 ? 1.16795 1.05670 0.59588 -0.31836 -0.21484 -0.11206 772 TYR A C   
1048 O O   . TYR A 177 ? 1.22058 1.12623 0.59590 -0.31777 -0.20275 -0.10623 772 TYR A O   
1049 C CB  . TYR A 177 ? 1.08434 0.96850 0.66868 -0.30942 -0.22066 -0.11190 772 TYR A CB  
1050 C CG  . TYR A 177 ? 1.11437 1.00620 0.76593 -0.33044 -0.26254 -0.08136 772 TYR A CG  
1051 C CD1 . TYR A 177 ? 1.09072 0.99034 0.71747 -0.35322 -0.29648 -0.05316 772 TYR A CD1 
1052 C CD2 . TYR A 177 ? 1.04804 0.94266 0.79115 -0.32835 -0.26815 -0.07894 772 TYR A CD2 
1053 C CE1 . TYR A 177 ? 1.05420 0.96194 0.74944 -0.37274 -0.33615 -0.02193 772 TYR A CE1 
1054 C CE2 . TYR A 177 ? 0.98490 0.88733 0.79637 -0.34663 -0.30554 -0.05086 772 TYR A CE2 
1055 C CZ  . TYR A 177 ? 1.00367 0.91156 0.79295 -0.36845 -0.34003 -0.02168 772 TYR A CZ  
1056 O OH  . TYR A 177 ? 0.99925 0.91586 0.86304 -0.38692 -0.37857 0.00937  772 TYR A OH  
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