NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
643298 |
6pqf   |
30630 | cing | 3-converted-DOCR | STAR | entry | full | 74 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_6pqf
# This DOCR archive file contains, for PDB entry <6pqf>:
#
# - Coordinates and sequence information from the PDB mmCIF file
# - NMR restraints from the PDB MR file
#
# In this file, the coordinates and NMR restraints share the same atom names,
# and in this way can differ from the data deposited at the wwPDB. To achieve
# this aim, the NMR restraints were parsed from their original format files, and
# the coordinates and NMR restraints information were subsequently harmonized.
#
# Due to the complexity of this harmonization process, minor modifications could
# have occurred to the NMR restraints information, or data could have been lost
# because of parsing or conversion errors. The PDB file remains the
# authoritative reference for the atomic coordinates and the originally deposited
# restraints files remain the primary reference for these data.
#
# This file is generated at the BioMagResBank (BMRB) in collaboration with the
# PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and
# the CMBI/IMM group at the Radboud University of Nijmegen.
#
# Several software packages were used to produce this file:
#
# - Wattos (BMRB and CMBI/IMM).
# - FormatConverter and NMRStarExport (PDBe).
# - CCPN framework (http://www.ccpn.ac.uk/).
#
# More information about this process can be found in the references below.
# Please cite the original reference for this PDB entry.
#
# JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL
# Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED
# containing converted and filtered sets of experimental NMR restraints and
# coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12.
#
# WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL
# Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy:
# development of a software pipeline. Proteins 59, 687-696.
#
# JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister,
# G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for
# 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389?396.
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID rr_6pqf
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 6pqf"
_Entry.Version_type original
_Entry.NMR_STAR_version 3.1.0.8
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_Entry.Details "Contains the remediated restraint lists and coordinates for PDB entry 6pqf"
_Entry.PDB_coordinate_file_version 3.20
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 6pqf "Master copy" rr_6pqf
stop_
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_6pqf
_Assembly.ID 1
_Assembly.Name 6pqf
_Assembly.Number_of_components 1
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 0
_Assembly.Non_standard_bonds no
_Assembly.Paramagnetic no
_Assembly.Thiol_state "all free"
_Assembly.Molecular_mass 1609.778
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 "OlvA BCS" 1 $OlvA_BCS_ A . no . . . . . . rr_6pqf 1
stop_
save_
save_OlvA_BCS_
_Entity.Sf_category entity
_Entity.Sf_framecode OlvA_BCS_
_Entity.Entry_ID rr_6pqf
_Entity.ID 1
_Entity.Name OlvA_BCS_
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code ACGXGXGCAKXCAASCAAS
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer yes
_Entity.Nstd_chirality yes
_Entity.Nstd_linkage no
_Entity.Number_of_monomers 19
_Entity.Paramagnetic no
_Entity.Thiol_state "all free"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 1609.778
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . ALA . rr_6pqf 1
2 . CYS . rr_6pqf 1
3 . GLY . rr_6pqf 1
4 . . . rr_6pqf 1
5 . GLY . rr_6pqf 1
6 . . . rr_6pqf 1
7 . GLY . rr_6pqf 1
8 . CYS . rr_6pqf 1
9 . ALA . rr_6pqf 1
10 . LYS . rr_6pqf 1
11 . . . rr_6pqf 1
12 . CYS . rr_6pqf 1
13 . ALA . rr_6pqf 1
14 . ALA . rr_6pqf 1
15 . SER . rr_6pqf 1
16 . CYS . rr_6pqf 1
17 . ALA . rr_6pqf 1
18 . ALA . rr_6pqf 1
19 . SER . rr_6pqf 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. ALA 1 1 rr_6pqf 1
. CYS 2 2 rr_6pqf 1
. GLY 3 3 rr_6pqf 1
. . 4 4 rr_6pqf 1
. GLY 5 5 rr_6pqf 1
. . 6 6 rr_6pqf 1
. GLY 7 7 rr_6pqf 1
. CYS 8 8 rr_6pqf 1
. ALA 9 9 rr_6pqf 1
. LYS 10 10 rr_6pqf 1
. . 11 11 rr_6pqf 1
. CYS 12 12 rr_6pqf 1
. ALA 13 13 rr_6pqf 1
. ALA 14 14 rr_6pqf 1
. SER 15 15 rr_6pqf 1
. CYS 16 16 rr_6pqf 1
. ALA 17 17 rr_6pqf 1
. ALA 18 18 rr_6pqf 1
. SER 19 19 rr_6pqf 1
stop_
save_
save_chem_comp_DBB
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_DBB
_Chem_comp.Entry_ID rr_6pqf
_Chem_comp.ID 1
_Chem_comp.Name Dbb
_Chem_comp.Type "L-peptide linking"
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C4 H6 N O"
_Chem_comp.Formula_weight 84.0975
save_
save_chem_comp_IAS
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_IAS
_Chem_comp.Entry_ID rr_6pqf
_Chem_comp.ID 2
_Chem_comp.Name Ias
_Chem_comp.Type "L-peptide linking"
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C4 H5 N O3"
_Chem_comp.Formula_weight 115.0884
save_
save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID rr_6pqf
_Conformer_stat_list.ID 1
_Conformer_stat_list.Conf_family_coord_set_ID 1
_Conformer_stat_list.Conf_family_coord_set_label $Original_constraints_and_structures
_Conformer_stat_list.Conformer_submitted_total_num 20
save_
save_ensemble_of_conformers
_Conformer_family_coord_set.Sf_category conformer_family_coord_set
_Conformer_family_coord_set.Sf_framecode ensemble_of_conformers
_Conformer_family_coord_set.Entry_ID rr_6pqf
_Conformer_family_coord_set.ID 1
loop_
_Conformer_family_refinement.Refine_method
_Conformer_family_refinement.Refine_details
_Conformer_family_refinement.Software_ID
_Conformer_family_refinement.Software_label
_Conformer_family_refinement.Entry_ID
_Conformer_family_refinement.Conformer_family_coord_set_ID
1 . . . rr_6pqf 1
stop_
loop_
_Conformer_family_software.Software_ID
_Conformer_family_software.Software_label
_Conformer_family_software.Method_ID
_Conformer_family_software.Method_label
_Conformer_family_software.Entry_ID
_Conformer_family_software.Conformer_family_coord_set_ID
. . . . rr_6pqf 1
stop_
loop_
_Atom_site.Assembly_ID
_Atom_site.Model_ID
_Atom_site.Model_site_ID
_Atom_site.ID
_Atom_site.Assembly_atom_ID
_Atom_site.Label_entity_assembly_ID
_Atom_site.Label_entity_ID
_Atom_site.Label_comp_index_ID
_Atom_site.Label_comp_ID
_Atom_site.Label_atom_ID
_Atom_site.Type_symbol
_Atom_site.Cartn_x
_Atom_site.Cartn_y
_Atom_site.Cartn_z
_Atom_site.Cartn_x_esd
_Atom_site.Cartn_y_esd
_Atom_site.Cartn_z_esd
_Atom_site.Occupancy
_Atom_site.Occupancy_esd
_Atom_site.Uncertainty
_Atom_site.Ordered_flag
_Atom_site.Footnote_ID
_Atom_site.PDBX_label_asym_ID
_Atom_site.PDBX_label_seq_ID
_Atom_site.PDBX_label_comp_ID
_Atom_site.PDBX_label_atom_ID
_Atom_site.PDBX_formal_charge
_Atom_site.PDBX_label_entity_ID
_Atom_site.PDB_record_ID
_Atom_site.PDB_model_num
_Atom_site.PDB_strand_ID
_Atom_site.PDB_ins_code
_Atom_site.PDB_residue_no
_Atom_site.PDB_residue_name
_Atom_site.PDB_atom_name
_Atom_site.Auth_entity_assembly_ID
_Atom_site.Auth_asym_ID
_Atom_site.Auth_chain_ID
_Atom_site.Auth_seq_ID
_Atom_site.Auth_comp_ID
_Atom_site.Auth_atom_ID
_Atom_site.Auth_alt_ID
_Atom_site.Auth_atom_name
_Atom_site.Details
_Atom_site.Entry_ID
_Atom_site.Conformer_family_coord_set_ID
. 1 . 1 . 1 1 1 ALA C C 3.508 -0.521 -1.015 . . . 1.0 . . . . . . . . . . . . A . 1 ALA C . . . . . . . . . rr_6pqf 1
. 1 . 2 . 1 1 1 ALA CA C 2.093 -0.001 -1.241 . . . 1.0 . . . . . . . . . . . . A . 1 ALA CA . . . . . . . . . rr_6pqf 1
. 1 . 3 . 1 1 1 ALA CB C 2.132 1.398 -1.838 . . . 1.0 . . . . . . . . . . . . A . 1 ALA CB . . . . . . . . . rr_6pqf 1
. 1 . 4 . 1 1 1 ALA H1 H 1.807 -0.001 0.855 . . . 1.0 . . . . . . . . . . . . A . 1 ALA H1 . . . . . . . . . rr_6pqf 1
. 1 . 5 . 1 1 1 ALA HA H 1.589 -0.651 -1.943 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HA . . . . . . . . . rr_6pqf 1
. 1 . 6 . 1 1 1 ALA HB1 H 2.818 1.413 -2.673 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB1 . . . . . . . . . rr_6pqf 1
. 1 . 7 . 1 1 1 ALA HB2 H 1.144 1.672 -2.178 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB2 . . . . . . . . . rr_6pqf 1
. 1 . 8 . 1 1 1 ALA HB3 H 2.463 2.100 -1.088 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB3 . . . . . . . . . rr_6pqf 1
. 1 . 9 . 1 1 1 ALA N N 1.329 0.000 0.000 . . . 1.0 . . . . . . . . . . . . A . 1 ALA N . . . . . . . . . rr_6pqf 1
. 1 . 10 . 1 1 1 ALA O O 4.161 -0.168 -0.032 . . . 1.0 . . . . . . . . . . . . A . 1 ALA O . . . . . . . . . rr_6pqf 1
. 1 . 11 . 1 1 2 CYS C C 6.271 -1.255 -2.805 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_6pqf 1
. 1 . 12 . 1 1 2 CYS CA C 5.316 -1.934 -1.828 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_6pqf 1
. 1 . 13 . 1 1 2 CYS CB C 5.273 -3.439 -2.103 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_6pqf 1
. 1 . 14 . 1 1 2 CYS H H 3.410 -1.608 -2.690 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_6pqf 1
. 1 . 15 . 1 1 2 CYS HA H 5.672 -1.771 -0.823 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_6pqf 1
. 1 . 16 . 1 1 2 CYS HB2 H 4.348 -3.679 -2.607 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_6pqf 1
. 1 . 17 . 1 1 2 CYS HB3 H 6.103 -3.704 -2.741 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_6pqf 1
. 1 . 18 . 1 1 2 CYS N N 3.978 -1.364 -1.929 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_6pqf 1
. 1 . 19 . 1 1 2 CYS O O 7.110 -0.447 -2.408 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_6pqf 1
. 1 . 20 . 1 1 2 CYS SG S 5.371 -4.471 -0.605 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_6pqf 1
. 1 . 21 . 1 1 3 GLY C C 7.834 -2.038 -5.819 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6pqf 1
. 1 . 22 . 1 1 3 GLY CA C 6.994 -1.002 -5.098 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6pqf 1
. 1 . 23 . 1 1 3 GLY H H 5.450 -2.238 -4.343 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6pqf 1
. 1 . 24 . 1 1 3 GLY HA2 H 6.379 -0.486 -5.821 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6pqf 1
. 1 . 25 . 1 1 3 GLY HA3 H 7.653 -0.287 -4.627 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6pqf 1
. 1 . 26 . 1 1 3 GLY N N 6.137 -1.588 -4.085 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6pqf 1
. 1 . 27 . 1 1 3 GLY O O 8.820 -1.714 -6.482 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6pqf 1
. 1 . 28 . 1 1 4 . C C 9.711 -4.324 -6.007 . . . 1.0 . . . . . . . . . . . . A . 4 DBB C . . . . . . . . . rr_6pqf 1
. 1 . 29 . 1 1 4 . CA C 8.211 -4.343 -6.350 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CA . . . . . . . . . rr_6pqf 1
. 1 . 30 . 1 1 4 . CB C 7.565 -5.700 -6.003 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CB . . . . . . . . . rr_6pqf 1
. 1 . 31 . 1 1 4 . CG C 8.196 -6.796 -6.847 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CG . . . . . . . . . rr_6pqf 1
. 1 . 32 . 1 1 4 . H H 6.656 -3.517 -5.155 . . . 1.0 . . . . . . . . . . . . A . 4 DBB H . . . . . . . . . rr_6pqf 1
. 1 . 33 . 1 1 4 . HA H 8.108 -4.202 -7.408 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HA . . . . . . . . . rr_6pqf 1
. 1 . 34 . 1 1 4 . HB2 H 6.544 -5.616 -6.310 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HB2 . . . . . . . . . rr_6pqf 1
. 1 . 35 . 1 1 4 . HG1 H 9.246 -6.863 -6.602 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG1 . . . . . . . . . rr_6pqf 1
. 1 . 36 . 1 1 4 . HG2 H 8.083 -6.557 -7.893 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG2 . . . . . . . . . rr_6pqf 1
. 1 . 37 . 1 1 4 . HG3 H 7.715 -7.737 -6.633 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG3 . . . . . . . . . rr_6pqf 1
. 1 . 38 . 1 1 4 . N N 7.449 -3.293 -5.693 . . . 1.0 . . . . . . . . . . . . A . 4 DBB N . . . . . . . . . rr_6pqf 1
. 1 . 39 . 1 1 4 . O O 10.050 -3.965 -4.880 . . . 1.0 . . . . . . . . . . . . A . 4 DBB O . . . . . . . . . rr_6pqf 1
. 1 . 40 . 1 1 5 GLY C C 12.521 -6.218 -6.559 . . . 1.0 . . . . . . . . . . . . A . 5 GLY C . . . . . . . . . rr_6pqf 1
. 1 . 41 . 1 1 5 GLY CA C 11.998 -4.797 -6.632 . . . 1.0 . . . . . . . . . . . . A . 5 GLY CA . . . . . . . . . rr_6pqf 1
. 1 . 42 . 1 1 5 GLY H H 10.250 -5.017 -7.806 . . . 1.0 . . . . . . . . . . . . A . 5 GLY H . . . . . . . . . rr_6pqf 1
. 1 . 43 . 1 1 5 GLY HA2 H 12.534 -4.267 -7.405 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA2 . . . . . . . . . rr_6pqf 1
. 1 . 44 . 1 1 5 GLY HA3 H 12.178 -4.311 -5.685 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA3 . . . . . . . . . rr_6pqf 1
. 1 . 45 . 1 1 5 GLY N N 10.578 -4.743 -6.924 . . . 1.0 . . . . . . . . . . . . A . 5 GLY N . . . . . . . . . rr_6pqf 1
. 1 . 46 . 1 1 5 GLY O O 12.259 -7.080 -7.393 . . . 1.0 . . . . . . . . . . . . A . 5 GLY O . . . . . . . . . rr_6pqf 1
. 1 . 47 . 1 1 6 . C C 12.652 -8.881 -5.184 . . . 1.0 . . . . . . . . . . . . A . 6 IAS C . . . . . . . . . rr_6pqf 1
. 1 . 48 . 1 1 6 . CA C 13.778 -7.870 -5.299 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CA . . . . . . . . . rr_6pqf 1
. 1 . 49 . 1 1 6 . CB C 14.747 -7.999 -4.110 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CB . . . . . . . . . rr_6pqf 1
. 1 . 50 . 1 1 6 . CG C 14.190 -7.434 -2.810 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CG . . . . . . . . . rr_6pqf 1
. 1 . 51 . 1 1 6 . H H 13.531 -5.818 -4.830 . . . 1.0 . . . . . . . . . . . . A . 6 IAS H . . . . . . . . . rr_6pqf 1
. 1 . 52 . 1 1 6 . HA H 14.298 -8.173 -6.199 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HA . . . . . . . . . rr_6pqf 1
. 1 . 53 . 1 1 6 . HB2 H 15.631 -7.419 -4.333 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HB2 . . . . . . . . . rr_6pqf 1
. 1 . 54 . 1 1 6 . HB3 H 15.019 -9.037 -3.992 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HB3 . . . . . . . . . rr_6pqf 1
. 1 . 55 . 1 1 6 . HXT H 12.441 -9.874 -6.827 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HXT . . . . . . . . . rr_6pqf 1
. 1 . 56 . 1 1 6 . N N 13.312 -6.510 -5.513 . . . 1.0 . . . . . . . . . . . . A . 6 IAS N . . . . . . . . . rr_6pqf 1
. 1 . 57 . 1 1 6 . O O 11.734 -8.797 -4.408 . . . 1.0 . . . . . . . . . . . . A . 6 IAS O . . . . . . . . . rr_6pqf 1
. 1 . 58 . 1 1 6 . OD1 O 14.524 -6.325 -2.393 . . . 1.0 . . . . . . . . . . . . A . 6 IAS OD1 . . . . . . . . . rr_6pqf 1
. 1 . 59 . 1 1 6 . OXT O 12.868 -9.954 -5.960 . . . 1.0 . . . . . . . . . . . . A . 6 IAS OXT . . . . . . . . . rr_6pqf 1
. 1 . 60 . 1 1 7 GLY C C 11.226 -7.729 -0.982 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . rr_6pqf 1
. 1 . 61 . 1 1 7 GLY CA C 12.739 -7.800 -0.911 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . rr_6pqf 1
. 1 . 62 . 1 1 7 GLY H H 13.105 -9.095 -2.545 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . rr_6pqf 1
. 1 . 63 . 1 1 7 GLY HA2 H 13.020 -8.500 -0.138 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . rr_6pqf 1
. 1 . 64 . 1 1 7 GLY HA3 H 13.121 -6.823 -0.654 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . rr_6pqf 1
. 1 . 65 . 1 1 7 GLY N N 13.334 -8.221 -2.165 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . rr_6pqf 1
. 1 . 66 . 1 1 7 GLY O O 10.543 -7.858 0.034 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . rr_6pqf 1
. 1 . 67 . 1 1 8 CYS C C 8.608 -8.807 -2.270 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . rr_6pqf 1
. 1 . 68 . 1 1 8 CYS CA C 9.260 -7.432 -2.385 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . rr_6pqf 1
. 1 . 69 . 1 1 8 CYS CB C 8.952 -6.822 -3.754 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . rr_6pqf 1
. 1 . 70 . 1 1 8 CYS H H 11.298 -7.427 -2.958 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . rr_6pqf 1
. 1 . 71 . 1 1 8 CYS HA H 8.857 -6.790 -1.617 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . rr_6pqf 1
. 1 . 72 . 1 1 8 CYS HB2 H 9.663 -6.035 -3.958 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . rr_6pqf 1
. 1 . 73 . 1 1 8 CYS HB3 H 9.044 -7.588 -4.510 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . rr_6pqf 1
. 1 . 74 . 1 1 8 CYS N N 10.701 -7.522 -2.185 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . rr_6pqf 1
. 1 . 75 . 1 1 8 CYS O O 8.863 -9.696 -3.081 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . rr_6pqf 1
. 1 . 76 . 1 1 8 CYS SG S 7.282 -6.106 -3.891 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . rr_6pqf 1
. 1 . 77 . 1 1 9 ALA C C 6.082 -10.523 -2.157 . . . 1.0 . . . . . . . . . . . . A . 9 ALA C . . . . . . . . . rr_6pqf 1
. 1 . 78 . 1 1 9 ALA CA C 7.074 -10.237 -1.035 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CA . . . . . . . . . rr_6pqf 1
. 1 . 79 . 1 1 9 ALA CB C 6.363 -10.222 0.310 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CB . . . . . . . . . rr_6pqf 1
. 1 . 80 . 1 1 9 ALA H H 7.603 -8.226 -0.643 . . . 1.0 . . . . . . . . . . . . A . 9 ALA H . . . . . . . . . rr_6pqf 1
. 1 . 81 . 1 1 9 ALA HA H 7.815 -11.023 -1.014 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HA . . . . . . . . . rr_6pqf 1
. 1 . 82 . 1 1 9 ALA HB1 H 5.728 -9.350 0.370 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB1 . . . . . . . . . rr_6pqf 1
. 1 . 83 . 1 1 9 ALA HB2 H 5.762 -11.113 0.409 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB2 . . . . . . . . . rr_6pqf 1
. 1 . 84 . 1 1 9 ALA HB3 H 7.094 -10.191 1.103 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB3 . . . . . . . . . rr_6pqf 1
. 1 . 85 . 1 1 9 ALA N N 7.765 -8.972 -1.256 . . . 1.0 . . . . . . . . . . . . A . 9 ALA N . . . . . . . . . rr_6pqf 1
. 1 . 86 . 1 1 9 ALA O O 5.707 -9.627 -2.913 . . . 1.0 . . . . . . . . . . . . A . 9 ALA O . . . . . . . . . rr_6pqf 1
. 1 . 87 . 1 1 10 LYS C C 3.317 -12.376 -2.700 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_6pqf 1
. 1 . 88 . 1 1 10 LYS CA C 4.711 -12.185 -3.290 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_6pqf 1
. 1 . 89 . 1 1 10 LYS CB C 5.175 -13.481 -3.958 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_6pqf 1
. 1 . 90 . 1 1 10 LYS CD C 6.463 -14.430 -5.895 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_6pqf 1
. 1 . 91 . 1 1 10 LYS CE C 7.667 -14.258 -6.809 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_6pqf 1
. 1 . 92 . 1 1 10 LYS CG C 6.360 -13.295 -4.890 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_6pqf 1
. 1 . 93 . 1 1 10 LYS H H 5.995 -12.449 -1.628 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_6pqf 1
. 1 . 94 . 1 1 10 LYS HA H 4.671 -11.402 -4.032 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_6pqf 1
. 1 . 95 . 1 1 10 LYS HB2 H 5.455 -14.188 -3.191 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_6pqf 1
. 1 . 96 . 1 1 10 LYS HB3 H 4.355 -13.891 -4.531 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_6pqf 1
. 1 . 97 . 1 1 10 LYS HD2 H 6.561 -15.364 -5.362 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_6pqf 1
. 1 . 98 . 1 1 10 LYS HD3 H 5.565 -14.449 -6.497 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_6pqf 1
. 1 . 99 . 1 1 10 LYS HE2 H 7.463 -13.458 -7.504 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_6pqf 1
. 1 . 100 . 1 1 10 LYS HE3 H 8.525 -14.001 -6.206 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_6pqf 1
. 1 . 101 . 1 1 10 LYS HG2 H 6.242 -12.364 -5.426 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_6pqf 1
. 1 . 102 . 1 1 10 LYS HG3 H 7.266 -13.263 -4.303 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_6pqf 1
. 1 . 103 . 1 1 10 LYS HZ1 H 8.752 -16.014 -7.127 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . rr_6pqf 1
. 1 . 104 . 1 1 10 LYS HZ2 H 8.230 -15.264 -8.550 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . rr_6pqf 1
. 1 . 105 . 1 1 10 LYS HZ3 H 7.129 -16.119 -7.592 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_6pqf 1
. 1 . 106 . 1 1 10 LYS N N 5.660 -11.779 -2.261 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_6pqf 1
. 1 . 107 . 1 1 10 LYS NZ N 7.965 -15.501 -7.573 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_6pqf 1
. 1 . 108 . 1 1 10 LYS O O 3.088 -12.156 -1.511 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_6pqf 1
. 1 . 109 . 1 1 11 . C C 0.448 -11.766 -2.315 . . . 1.0 . . . . . . . . . . . . A . 11 DBB C . . . . . . . . . rr_6pqf 1
. 1 . 110 . 1 1 11 . CA C 1.027 -12.989 -3.047 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CA . . . . . . . . . rr_6pqf 1
. 1 . 111 . 1 1 11 . CB C 0.142 -13.412 -4.237 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CB . . . . . . . . . rr_6pqf 1
. 1 . 112 . 1 1 11 . CG C -1.224 -13.842 -3.728 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CG . . . . . . . . . rr_6pqf 1
. 1 . 113 . 1 1 11 . H H 2.601 -12.954 -4.480 . . . 1.0 . . . . . . . . . . . . A . 11 DBB H . . . . . . . . . rr_6pqf 1
. 1 . 114 . 1 1 11 . HA H 1.050 -13.810 -2.359 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HA . . . . . . . . . rr_6pqf 1
. 1 . 115 . 1 1 11 . HB2 H 0.612 -14.279 -4.648 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HB2 . . . . . . . . . rr_6pqf 1
. 1 . 116 . 1 1 11 . HG1 H -1.090 -14.572 -2.944 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG1 . . . . . . . . . rr_6pqf 1
. 1 . 117 . 1 1 11 . HG2 H -1.789 -14.280 -4.538 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG2 . . . . . . . . . rr_6pqf 1
. 1 . 118 . 1 1 11 . HG3 H -1.750 -12.986 -3.339 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG3 . . . . . . . . . rr_6pqf 1
. 1 . 119 . 1 1 11 . N N 2.382 -12.788 -3.535 . . . 1.0 . . . . . . . . . . . . A . 11 DBB N . . . . . . . . . rr_6pqf 1
. 1 . 120 . 1 1 11 . O O 0.799 -10.643 -2.679 . . . 1.0 . . . . . . . . . . . . A . 11 DBB O . . . . . . . . . rr_6pqf 1
. 1 . 121 . 1 1 12 CYS C C -0.131 -10.254 0.383 . . . 1.0 . . . . . . . . . . . . A . 12 CYS C . . . . . . . . . rr_6pqf 1
. 1 . 122 . 1 1 12 CYS CA C -1.078 -10.856 -0.651 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CA . . . . . . . . . rr_6pqf 1
. 1 . 123 . 1 1 12 CYS CB C -2.366 -11.324 0.031 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CB . . . . . . . . . rr_6pqf 1
. 1 . 124 . 1 1 12 CYS H H -0.684 -12.886 -1.105 . . . 1.0 . . . . . . . . . . . . A . 12 CYS H . . . . . . . . . rr_6pqf 1
. 1 . 125 . 1 1 12 CYS HA H -1.323 -10.099 -1.381 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HA . . . . . . . . . rr_6pqf 1
. 1 . 126 . 1 1 12 CYS HB2 H -2.973 -11.853 -0.688 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB2 . . . . . . . . . rr_6pqf 1
. 1 . 127 . 1 1 12 CYS HB3 H -2.112 -11.991 0.841 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB3 . . . . . . . . . rr_6pqf 1
. 1 . 128 . 1 1 12 CYS N N -0.445 -11.967 -1.351 . . . 1.0 . . . . . . . . . . . . A . 12 CYS N . . . . . . . . . rr_6pqf 1
. 1 . 129 . 1 1 12 CYS O O -0.434 -10.228 1.576 . . . 1.0 . . . . . . . . . . . . A . 12 CYS O . . . . . . . . . rr_6pqf 1
. 1 . 130 . 1 1 12 CYS SG S -3.375 -9.973 0.720 . . . 1.0 . . . . . . . . . . . . A . 12 CYS SG . . . . . . . . . rr_6pqf 1
. 1 . 131 . 1 1 13 ALA C C 2.434 -7.796 0.288 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . rr_6pqf 1
. 1 . 132 . 1 1 13 ALA CA C 2.006 -9.168 0.799 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . rr_6pqf 1
. 1 . 133 . 1 1 13 ALA CB C 3.214 -10.082 0.940 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . rr_6pqf 1
. 1 . 134 . 1 1 13 ALA H H 1.199 -9.821 -1.045 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . rr_6pqf 1
. 1 . 135 . 1 1 13 ALA HA H 1.557 -9.052 1.775 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . rr_6pqf 1
. 1 . 136 . 1 1 13 ALA HB1 H 2.889 -11.059 1.267 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . rr_6pqf 1
. 1 . 137 . 1 1 13 ALA HB2 H 3.713 -10.168 -0.013 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . rr_6pqf 1
. 1 . 138 . 1 1 13 ALA HB3 H 3.896 -9.667 1.668 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . rr_6pqf 1
. 1 . 139 . 1 1 13 ALA N N 1.016 -9.771 -0.084 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . rr_6pqf 1
. 1 . 140 . 1 1 13 ALA O O 2.680 -6.895 1.088 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . rr_6pqf 1
. 1 . 141 . 1 1 14 ALA C C 2.643 -6.600 -3.236 . . . 1.0 . . . . . . . . . . . . A . 14 ALA C . . . . . . . . . rr_6pqf 1
. 1 . 142 . 1 1 14 ALA CA C 2.906 -6.425 -1.674 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CA . . . . . . . . . rr_6pqf 1
. 1 . 143 . 1 1 14 ALA CB C 4.332 -6.070 -1.467 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CB . . . . . . . . . rr_6pqf 1
. 1 . 144 . 1 1 14 ALA H H 2.302 -8.439 -1.581 . . . 1.0 . . . . . . . . . . . . A . 14 ALA H . . . . . . . . . rr_6pqf 1
. 1 . 145 . 1 1 14 ALA HA H 2.237 -5.641 -1.373 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HA . . . . . . . . . rr_6pqf 1
. 1 . 146 . 1 1 14 ALA HB1 H 4.830 -6.850 -0.911 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB1 . . . . . . . . . rr_6pqf 1
. 1 . 147 . 1 1 14 ALA HB2 H 4.781 -5.990 -2.446 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB2 . . . . . . . . . rr_6pqf 1
. 1 . 148 . 1 1 14 ALA N N 2.517 -7.663 -1.023 . . . 1.0 . . . . . . . . . . . . A . 14 ALA N . . . . . . . . . rr_6pqf 1
. 1 . 149 . 1 1 14 ALA O O 2.181 -5.676 -3.905 . . . 1.0 . . . . . . . . . . . . A . 14 ALA O . . . . . . . . . rr_6pqf 1
. 1 . 150 . 1 1 15 SER C C 1.325 -8.173 -5.539 . . . 1.0 . . . . . . . . . . . . A . 15 SER C . . . . . . . . . rr_6pqf 1
. 1 . 151 . 1 1 15 SER CA C 2.803 -8.059 -5.178 . . . 1.0 . . . . . . . . . . . . A . 15 SER CA . . . . . . . . . rr_6pqf 1
. 1 . 152 . 1 1 15 SER CB C 3.533 -9.350 -5.554 . . . 1.0 . . . . . . . . . . . . A . 15 SER CB . . . . . . . . . rr_6pqf 1
. 1 . 153 . 1 1 15 SER H H 3.332 -8.476 -3.171 . . . 1.0 . . . . . . . . . . . . A . 15 SER H . . . . . . . . . rr_6pqf 1
. 1 . 154 . 1 1 15 SER HA H 3.234 -7.237 -5.730 . . . 1.0 . . . . . . . . . . . . A . 15 SER HA . . . . . . . . . rr_6pqf 1
. 1 . 155 . 1 1 15 SER HB2 H 4.579 -9.254 -5.305 . . . 1.0 . . . . . . . . . . . . A . 15 SER HB2 . . . . . . . . . rr_6pqf 1
. 1 . 156 . 1 1 15 SER HB3 H 3.106 -10.175 -5.002 . . . 1.0 . . . . . . . . . . . . A . 15 SER HB3 . . . . . . . . . rr_6pqf 1
. 1 . 157 . 1 1 15 SER HG H 4.250 -9.425 -7.375 . . . 1.0 . . . . . . . . . . . . A . 15 SER HG . . . . . . . . . rr_6pqf 1
. 1 . 158 . 1 1 15 SER N N 2.969 -7.779 -3.756 . . . 1.0 . . . . . . . . . . . . A . 15 SER N . . . . . . . . . rr_6pqf 1
. 1 . 159 . 1 1 15 SER O O 0.765 -7.297 -6.199 . . . 1.0 . . . . . . . . . . . . A . 15 SER O . . . . . . . . . rr_6pqf 1
. 1 . 160 . 1 1 15 SER OG O 3.415 -9.617 -6.940 . . . 1.0 . . . . . . . . . . . . A . 15 SER OG . . . . . . . . . rr_6pqf 1
. 1 . 161 . 1 1 16 CYS C C -1.594 -8.656 -4.456 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . rr_6pqf 1
. 1 . 162 . 1 1 16 CYS CA C -0.714 -9.493 -5.380 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . rr_6pqf 1
. 1 . 163 . 1 1 16 CYS CB C -1.051 -10.976 -5.216 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . rr_6pqf 1
. 1 . 164 . 1 1 16 CYS H H 1.198 -9.925 -4.582 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . rr_6pqf 1
. 1 . 165 . 1 1 16 CYS HA H -0.905 -9.200 -6.401 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . rr_6pqf 1
. 1 . 166 . 1 1 16 CYS HB2 H -1.111 -11.210 -4.163 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . rr_6pqf 1
. 1 . 167 . 1 1 16 CYS HB3 H -2.006 -11.174 -5.679 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . rr_6pqf 1
. 1 . 168 . 1 1 16 CYS N N 0.698 -9.261 -5.103 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . rr_6pqf 1
. 1 . 169 . 1 1 16 CYS O O -1.211 -8.348 -3.328 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . rr_6pqf 1
. 1 . 170 . 1 1 16 CYS SG S 0.171 -12.103 -5.963 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . rr_6pqf 1
. 1 . 171 . 1 1 17 ALA C C -4.830 -8.357 -3.592 . . . 1.0 . . . . . . . . . . . . A . 17 ALA C . . . . . . . . . rr_6pqf 1
. 1 . 172 . 1 1 17 ALA CA C -3.711 -7.492 -4.163 . . . 1.0 . . . . . . . . . . . . A . 17 ALA CA . . . . . . . . . rr_6pqf 1
. 1 . 173 . 1 1 17 ALA CB C -4.290 -6.372 -5.015 . . . 1.0 . . . . . . . . . . . . A . 17 ALA CB . . . . . . . . . rr_6pqf 1
. 1 . 174 . 1 1 17 ALA H H -3.024 -8.567 -5.851 . . . 1.0 . . . . . . . . . . . . A . 17 ALA H . . . . . . . . . rr_6pqf 1
. 1 . 175 . 1 1 17 ALA HA H -3.165 -7.043 -3.345 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HA . . . . . . . . . rr_6pqf 1
. 1 . 176 . 1 1 17 ALA HB1 H -5.339 -6.253 -4.787 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB1 . . . . . . . . . rr_6pqf 1
. 1 . 177 . 1 1 17 ALA HB2 H -3.768 -5.451 -4.803 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB2 . . . . . . . . . rr_6pqf 1
. 1 . 178 . 1 1 17 ALA HB3 H -4.174 -6.620 -6.060 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB3 . . . . . . . . . rr_6pqf 1
. 1 . 179 . 1 1 17 ALA N N -2.776 -8.291 -4.944 . . . 1.0 . . . . . . . . . . . . A . 17 ALA N . . . . . . . . . rr_6pqf 1
. 1 . 180 . 1 1 17 ALA O O -5.917 -8.406 -4.166 . . . 1.0 . . . . . . . . . . . . A . 17 ALA O . . . . . . . . . rr_6pqf 1
. 1 . 181 . 1 1 18 ALA C C -6.848 -9.054 -1.616 . . . 1.0 . . . . . . . . . . . . A . 18 ALA C . . . . . . . . . rr_6pqf 1
. 1 . 182 . 1 1 18 ALA CA C -5.500 -9.883 -1.811 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CA . . . . . . . . . rr_6pqf 1
. 1 . 183 . 1 1 18 ALA CB C -5.035 -10.354 -0.483 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CB . . . . . . . . . rr_6pqf 1
. 1 . 184 . 1 1 18 ALA H H -3.653 -8.917 -2.101 . . . 1.0 . . . . . . . . . . . . A . 18 ALA H . . . . . . . . . rr_6pqf 1
. 1 . 185 . 1 1 18 ALA HA H -5.772 -10.690 -2.464 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HA . . . . . . . . . rr_6pqf 1
. 1 . 186 . 1 1 18 ALA HB1 H -5.782 -10.142 0.267 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB1 . . . . . . . . . rr_6pqf 1
. 1 . 187 . 1 1 18 ALA HB2 H -4.900 -11.423 -0.559 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB2 . . . . . . . . . rr_6pqf 1
. 1 . 188 . 1 1 18 ALA N N -4.548 -9.019 -2.486 . . . 1.0 . . . . . . . . . . . . A . 18 ALA N . . . . . . . . . rr_6pqf 1
. 1 . 189 . 1 1 18 ALA O O -6.932 -8.180 -0.753 . . . 1.0 . . . . . . . . . . . . A . 18 ALA O . . . . . . . . . rr_6pqf 1
. 1 . 190 . 1 1 19 SER C C -9.761 -8.796 -1.012 . . . 1.0 . . . . . . . . . . . . A . 19 SER C . . . . . . . . . rr_6pqf 1
. 1 . 191 . 1 1 19 SER CA C -9.120 -8.649 -2.388 . . . 1.0 . . . . . . . . . . . . A . 19 SER CA . . . . . . . . . rr_6pqf 1
. 1 . 192 . 1 1 19 SER CB C -10.068 -9.183 -3.464 . . . 1.0 . . . . . . . . . . . . A . 19 SER CB . . . . . . . . . rr_6pqf 1
. 1 . 193 . 1 1 19 SER H H -7.715 -10.058 -3.112 . . . 1.0 . . . . . . . . . . . . A . 19 SER H . . . . . . . . . rr_6pqf 1
. 1 . 194 . 1 1 19 SER HA H -8.931 -7.602 -2.575 . . . 1.0 . . . . . . . . . . . . A . 19 SER HA . . . . . . . . . rr_6pqf 1
. 1 . 195 . 1 1 19 SER HB2 H -9.494 -9.504 -4.319 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB2 . . . . . . . . . rr_6pqf 1
. 1 . 196 . 1 1 19 SER HB3 H -10.623 -10.021 -3.067 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB3 . . . . . . . . . rr_6pqf 1
. 1 . 197 . 1 1 19 SER HG H -11.661 -8.580 -4.431 . . . 1.0 . . . . . . . . . . . . A . 19 SER HG . . . . . . . . . rr_6pqf 1
. 1 . 198 . 1 1 19 SER N N -7.843 -9.351 -2.445 . . . 1.0 . . . . . . . . . . . . A . 19 SER N . . . . . . . . . rr_6pqf 1
. 1 . 199 . 1 1 19 SER O O -9.329 -9.612 -0.200 . . . 1.0 . . . . . . . . . . . . A . 19 SER O . . . . . . . . . rr_6pqf 1
. 1 . 200 . 1 1 19 SER OG O -10.984 -8.184 -3.878 . . . 1.0 . . . . . . . . . . . . A . 19 SER OG . . . . . . . . . rr_6pqf 1
. 2 . 201 . 1 1 1 ALA C C 2.880 0.133 -0.577 . . . 1.0 . . . . . . . . . . . . A . 1 ALA C . . . . . . . . . rr_6pqf 1
. 2 . 202 . 1 1 1 ALA CA C 1.574 0.891 -0.785 . . . 1.0 . . . . . . . . . . . . A . 1 ALA CA . . . . . . . . . rr_6pqf 1
. 2 . 203 . 1 1 1 ALA CB C 1.603 1.644 -2.107 . . . 1.0 . . . . . . . . . . . . A . 1 ALA CB . . . . . . . . . rr_6pqf 1
. 2 . 204 . 1 1 1 ALA H1 H 0.922 2.687 0.126 . . . 1.0 . . . . . . . . . . . . A . 1 ALA H1 . . . . . . . . . rr_6pqf 1
. 2 . 205 . 1 1 1 ALA HA H 0.759 0.182 -0.820 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HA . . . . . . . . . rr_6pqf 1
. 2 . 206 . 1 1 1 ALA HB1 H 1.061 2.573 -2.003 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB1 . . . . . . . . . rr_6pqf 1
. 2 . 207 . 1 1 1 ALA HB2 H 2.627 1.853 -2.379 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB2 . . . . . . . . . rr_6pqf 1
. 2 . 208 . 1 1 1 ALA HB3 H 1.141 1.041 -2.874 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB3 . . . . . . . . . rr_6pqf 1
. 2 . 209 . 1 1 1 ALA N N 1.321 1.812 0.316 . . . 1.0 . . . . . . . . . . . . A . 1 ALA N . . . . . . . . . rr_6pqf 1
. 2 . 210 . 1 1 1 ALA O O 3.666 0.462 0.313 . . . 1.0 . . . . . . . . . . . . A . 1 ALA O . . . . . . . . . rr_6pqf 1
. 2 . 211 . 1 1 2 CYS C C 5.416 -1.129 -2.207 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_6pqf 1
. 2 . 212 . 1 1 2 CYS CA C 4.318 -1.690 -1.308 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_6pqf 1
. 2 . 213 . 1 1 2 CYS CB C 4.021 -3.141 -1.692 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_6pqf 1
. 2 . 214 . 1 1 2 CYS H H 2.443 -1.097 -2.091 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_6pqf 1
. 2 . 215 . 1 1 2 CYS HA H 4.658 -1.660 -0.284 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_6pqf 1
. 2 . 216 . 1 1 2 CYS HB2 H 2.959 -3.319 -1.601 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_6pqf 1
. 2 . 217 . 1 1 2 CYS HB3 H 4.321 -3.303 -2.716 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_6pqf 1
. 2 . 218 . 1 1 2 CYS N N 3.107 -0.884 -1.402 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_6pqf 1
. 2 . 219 . 1 1 2 CYS O O 5.193 -0.870 -3.389 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_6pqf 1
. 2 . 220 . 1 1 2 CYS SG S 4.877 -4.373 -0.659 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_6pqf 1
. 2 . 221 . 1 1 3 GLY C C 7.984 -1.211 -3.665 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6pqf 1
. 2 . 222 . 1 1 3 GLY CA C 7.718 -0.417 -2.402 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6pqf 1
. 2 . 223 . 1 1 3 GLY H H 6.723 -1.169 -0.691 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6pqf 1
. 2 . 224 . 1 1 3 GLY HA2 H 7.503 0.607 -2.671 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6pqf 1
. 2 . 225 . 1 1 3 GLY HA3 H 8.605 -0.437 -1.785 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6pqf 1
. 2 . 226 . 1 1 3 GLY N N 6.603 -0.945 -1.638 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6pqf 1
. 2 . 227 . 1 1 3 GLY O O 8.258 -0.651 -4.727 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6pqf 1
. 2 . 228 . 1 1 4 . C C 9.645 -3.662 -4.957 . . . 1.0 . . . . . . . . . . . . A . 4 DBB C . . . . . . . . . rr_6pqf 1
. 2 . 229 . 1 1 4 . CA C 8.155 -3.351 -4.728 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CA . . . . . . . . . rr_6pqf 1
. 2 . 230 . 1 1 4 . CB C 7.318 -4.640 -4.598 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CB . . . . . . . . . rr_6pqf 1
. 2 . 231 . 1 1 4 . CG C 7.382 -5.424 -5.898 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CG . . . . . . . . . rr_6pqf 1
. 2 . 232 . 1 1 4 . H H 7.684 -2.938 -2.695 . . . 1.0 . . . . . . . . . . . . A . 4 DBB H . . . . . . . . . rr_6pqf 1
. 2 . 233 . 1 1 4 . HA H 7.790 -2.819 -5.584 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HA . . . . . . . . . rr_6pqf 1
. 2 . 234 . 1 1 4 . HB2 H 6.308 -4.312 -4.477 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HB2 . . . . . . . . . rr_6pqf 1
. 2 . 235 . 1 1 4 . HG1 H 8.351 -5.894 -5.974 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG1 . . . . . . . . . rr_6pqf 1
. 2 . 236 . 1 1 4 . HG2 H 7.239 -4.753 -6.732 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG2 . . . . . . . . . rr_6pqf 1
. 2 . 237 . 1 1 4 . HG3 H 6.613 -6.179 -5.901 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG3 . . . . . . . . . rr_6pqf 1
. 2 . 238 . 1 1 4 . N N 7.905 -2.523 -3.559 . . . 1.0 . . . . . . . . . . . . A . 4 DBB N . . . . . . . . . rr_6pqf 1
. 2 . 239 . 1 1 4 . O O 10.338 -3.957 -3.984 . . . 1.0 . . . . . . . . . . . . A . 4 DBB O . . . . . . . . . rr_6pqf 1
. 2 . 240 . 1 1 5 GLY C C 11.636 -5.326 -7.178 . . . 1.0 . . . . . . . . . . . . A . 5 GLY C . . . . . . . . . rr_6pqf 1
. 2 . 241 . 1 1 5 GLY CA C 11.497 -3.989 -6.477 . . . 1.0 . . . . . . . . . . . . A . 5 GLY CA . . . . . . . . . rr_6pqf 1
. 2 . 242 . 1 1 5 GLY H H 9.514 -3.406 -6.938 . . . 1.0 . . . . . . . . . . . . A . 5 GLY H . . . . . . . . . rr_6pqf 1
. 2 . 243 . 1 1 5 GLY HA2 H 11.927 -3.221 -7.102 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA2 . . . . . . . . . rr_6pqf 1
. 2 . 244 . 1 1 5 GLY HA3 H 12.039 -4.027 -5.544 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA3 . . . . . . . . . rr_6pqf 1
. 2 . 245 . 1 1 5 GLY N N 10.113 -3.649 -6.202 . . . 1.0 . . . . . . . . . . . . A . 5 GLY N . . . . . . . . . rr_6pqf 1
. 2 . 246 . 1 1 5 GLY O O 11.234 -5.539 -8.318 . . . 1.0 . . . . . . . . . . . . A . 5 GLY O . . . . . . . . . rr_6pqf 1
. 2 . 247 . 1 1 6 . C C 11.091 -8.486 -6.763 . . . 1.0 . . . . . . . . . . . . A . 6 IAS C . . . . . . . . . rr_6pqf 1
. 2 . 248 . 1 1 6 . CA C 12.328 -7.648 -7.027 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CA . . . . . . . . . rr_6pqf 1
. 2 . 249 . 1 1 6 . CB C 13.597 -8.400 -6.584 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CB . . . . . . . . . rr_6pqf 1
. 2 . 250 . 1 1 6 . CG C 13.781 -8.440 -5.073 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CG . . . . . . . . . rr_6pqf 1
. 2 . 251 . 1 1 6 . H H 12.570 -6.142 -5.556 . . . 1.0 . . . . . . . . . . . . A . 6 IAS H . . . . . . . . . rr_6pqf 1
. 2 . 252 . 1 1 6 . HA H 12.345 -7.554 -8.106 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HA . . . . . . . . . rr_6pqf 1
. 2 . 253 . 1 1 6 . HB2 H 14.454 -7.871 -6.976 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HB2 . . . . . . . . . rr_6pqf 1
. 2 . 254 . 1 1 6 . HB3 H 13.572 -9.398 -6.995 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HB3 . . . . . . . . . rr_6pqf 1
. 2 . 255 . 1 1 6 . HXT H 9.993 -9.374 -8.080 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HXT . . . . . . . . . rr_6pqf 1
. 2 . 256 . 1 1 6 . N N 12.239 -6.304 -6.482 . . . 1.0 . . . . . . . . . . . . A . 6 IAS N . . . . . . . . . rr_6pqf 1
. 2 . 257 . 1 1 6 . O O 10.427 -8.427 -5.760 . . . 1.0 . . . . . . . . . . . . A . 6 IAS O . . . . . . . . . rr_6pqf 1
. 2 . 258 . 1 1 6 . OD1 O 14.696 -7.832 -4.518 . . . 1.0 . . . . . . . . . . . . A . 6 IAS OD1 . . . . . . . . . rr_6pqf 1
. 2 . 259 . 1 1 6 . OXT O 10.895 -9.399 -7.727 . . . 1.0 . . . . . . . . . . . . A . 6 IAS OXT . . . . . . . . . rr_6pqf 1
. 2 . 260 . 1 1 7 GLY C C 11.673 -8.905 -2.284 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . rr_6pqf 1
. 2 . 261 . 1 1 7 GLY CA C 12.967 -9.302 -2.966 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . rr_6pqf 1
. 2 . 262 . 1 1 7 GLY H H 12.187 -9.640 -4.905 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . rr_6pqf 1
. 2 . 263 . 1 1 7 GLY HA2 H 13.195 -10.327 -2.715 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . rr_6pqf 1
. 2 . 264 . 1 1 7 GLY HA3 H 13.762 -8.668 -2.600 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . rr_6pqf 1
. 2 . 265 . 1 1 7 GLY N N 12.895 -9.177 -4.410 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . rr_6pqf 1
. 2 . 266 . 1 1 7 GLY O O 11.387 -9.348 -1.171 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . rr_6pqf 1
. 2 . 267 . 1 1 8 CYS C C 8.756 -8.788 -1.964 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . rr_6pqf 1
. 2 . 268 . 1 1 8 CYS CA C 9.617 -7.607 -2.404 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . rr_6pqf 1
. 2 . 269 . 1 1 8 CYS CB C 8.864 -6.770 -3.439 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . rr_6pqf 1
. 2 . 270 . 1 1 8 CYS H H 11.170 -7.747 -3.835 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . rr_6pqf 1
. 2 . 271 . 1 1 8 CYS HA H 9.830 -6.992 -1.542 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . rr_6pqf 1
. 2 . 272 . 1 1 8 CYS HB2 H 9.563 -6.115 -3.939 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . rr_6pqf 1
. 2 . 273 . 1 1 8 CYS HB3 H 8.414 -7.429 -4.166 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . rr_6pqf 1
. 2 . 274 . 1 1 8 CYS N N 10.888 -8.066 -2.952 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . rr_6pqf 1
. 2 . 275 . 1 1 8 CYS O O 8.944 -9.912 -2.427 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . rr_6pqf 1
. 2 . 276 . 1 1 8 CYS SG S 7.541 -5.732 -2.737 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . rr_6pqf 1
. 2 . 277 . 1 1 9 ALA C C 6.218 -10.281 -1.714 . . . 1.0 . . . . . . . . . . . . A . 9 ALA C . . . . . . . . . rr_6pqf 1
. 2 . 278 . 1 1 9 ALA CA C 6.919 -9.561 -0.568 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CA . . . . . . . . . rr_6pqf 1
. 2 . 279 . 1 1 9 ALA CB C 5.897 -8.964 0.387 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CB . . . . . . . . . rr_6pqf 1
. 2 . 280 . 1 1 9 ALA H H 7.710 -7.606 -0.737 . . . 1.0 . . . . . . . . . . . . A . 9 ALA H . . . . . . . . . rr_6pqf 1
. 2 . 281 . 1 1 9 ALA HA H 7.515 -10.276 -0.018 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HA . . . . . . . . . rr_6pqf 1
. 2 . 282 . 1 1 9 ALA HB1 H 6.290 -8.050 0.809 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB1 . . . . . . . . . rr_6pqf 1
. 2 . 283 . 1 1 9 ALA HB2 H 4.985 -8.750 -0.150 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB2 . . . . . . . . . rr_6pqf 1
. 2 . 284 . 1 1 9 ALA HB3 H 5.692 -9.668 1.180 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB3 . . . . . . . . . rr_6pqf 1
. 2 . 285 . 1 1 9 ALA N N 7.811 -8.522 -1.068 . . . 1.0 . . . . . . . . . . . . A . 9 ALA N . . . . . . . . . rr_6pqf 1
. 2 . 286 . 1 1 9 ALA O O 6.034 -9.720 -2.794 . . . 1.0 . . . . . . . . . . . . A . 9 ALA O . . . . . . . . . rr_6pqf 1
. 2 . 287 . 1 1 10 LYS C C 3.678 -12.527 -2.121 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_6pqf 1
. 2 . 288 . 1 1 10 LYS CA C 5.146 -12.327 -2.485 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_6pqf 1
. 2 . 289 . 1 1 10 LYS CB C 5.833 -13.685 -2.642 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_6pqf 1
. 2 . 290 . 1 1 10 LYS CD C 6.799 -15.306 -4.301 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_6pqf 1
. 2 . 291 . 1 1 10 LYS CE C 7.052 -15.487 -5.789 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_6pqf 1
. 2 . 292 . 1 1 10 LYS CG C 5.723 -14.264 -4.042 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_6pqf 1
. 2 . 293 . 1 1 10 LYS H H 6.003 -11.922 -0.592 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_6pqf 1
. 2 . 294 . 1 1 10 LYS HA H 5.202 -11.793 -3.422 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_6pqf 1
. 2 . 295 . 1 1 10 LYS HB2 H 6.881 -13.574 -2.402 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_6pqf 1
. 2 . 296 . 1 1 10 LYS HB3 H 5.386 -14.383 -1.950 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_6pqf 1
. 2 . 297 . 1 1 10 LYS HD2 H 7.716 -14.989 -3.827 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_6pqf 1
. 2 . 298 . 1 1 10 LYS HD3 H 6.482 -16.250 -3.880 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_6pqf 1
. 2 . 299 . 1 1 10 LYS HE2 H 7.106 -14.514 -6.253 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_6pqf 1
. 2 . 300 . 1 1 10 LYS HE3 H 7.993 -16.001 -5.921 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_6pqf 1
. 2 . 301 . 1 1 10 LYS HG2 H 4.754 -14.727 -4.155 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_6pqf 1
. 2 . 302 . 1 1 10 LYS HG3 H 5.829 -13.464 -4.762 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_6pqf 1
. 2 . 303 . 1 1 10 LYS HZ1 H 5.272 -16.578 -5.736 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . rr_6pqf 1
. 2 . 304 . 1 1 10 LYS HZ2 H 6.374 -17.122 -6.898 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . rr_6pqf 1
. 2 . 305 . 1 1 10 LYS HZ3 H 5.496 -15.701 -7.166 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_6pqf 1
. 2 . 306 . 1 1 10 LYS N N 5.828 -11.529 -1.473 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_6pqf 1
. 2 . 307 . 1 1 10 LYS NZ N 5.973 -16.277 -6.444 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_6pqf 1
. 2 . 308 . 1 1 10 LYS O O 3.231 -12.163 -1.033 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_6pqf 1
. 2 . 309 . 1 1 11 . C C 0.762 -12.062 -2.330 . . . 1.0 . . . . . . . . . . . . A . 11 DBB C . . . . . . . . . rr_6pqf 1
. 2 . 310 . 1 1 11 . CA C 1.515 -13.333 -2.762 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CA . . . . . . . . . rr_6pqf 1
. 2 . 311 . 1 1 11 . CB C 0.876 -13.976 -4.009 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CB . . . . . . . . . rr_6pqf 1
. 2 . 312 . 1 1 11 . CG C -0.540 -14.423 -3.684 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CG . . . . . . . . . rr_6pqf 1
. 2 . 313 . 1 1 11 . H H 3.316 -13.389 -3.893 . . . 1.0 . . . . . . . . . . . . A . 11 DBB H . . . . . . . . . rr_6pqf 1
. 2 . 314 . 1 1 11 . HA H 1.449 -14.047 -1.965 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HA . . . . . . . . . rr_6pqf 1
. 2 . 315 . 1 1 11 . HB2 H 1.449 -14.858 -4.200 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HB2 . . . . . . . . . rr_6pqf 1
. 2 . 316 . 1 1 11 . HG1 H -1.161 -13.550 -3.556 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG1 . . . . . . . . . rr_6pqf 1
. 2 . 317 . 1 1 11 . HG2 H -0.536 -15.001 -2.772 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG2 . . . . . . . . . rr_6pqf 1
. 2 . 318 . 1 1 11 . HG3 H -0.923 -15.023 -4.494 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG3 . . . . . . . . . rr_6pqf 1
. 2 . 319 . 1 1 11 . N N 2.926 -13.110 -3.034 . . . 1.0 . . . . . . . . . . . . A . 11 DBB N . . . . . . . . . rr_6pqf 1
. 2 . 320 . 1 1 11 . O O 1.118 -10.981 -2.800 . . . 1.0 . . . . . . . . . . . . A . 11 DBB O . . . . . . . . . rr_6pqf 1
. 2 . 321 . 1 1 12 CYS C C -0.338 -10.221 -0.029 . . . 1.0 . . . . . . . . . . . . A . 12 CYS C . . . . . . . . . rr_6pqf 1
. 2 . 322 . 1 1 12 CYS CA C -1.067 -11.034 -1.096 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CA . . . . . . . . . rr_6pqf 1
. 2 . 323 . 1 1 12 CYS CB C -2.427 -11.489 -0.565 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CB . . . . . . . . . rr_6pqf 1
. 2 . 324 . 1 1 12 CYS H H -0.507 -13.074 -1.162 . . . 1.0 . . . . . . . . . . . . A . 12 CYS H . . . . . . . . . rr_6pqf 1
. 2 . 325 . 1 1 12 CYS HA H -1.219 -10.411 -1.963 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HA . . . . . . . . . rr_6pqf 1
. 2 . 326 . 1 1 12 CYS HB2 H -2.877 -12.162 -1.280 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB2 . . . . . . . . . rr_6pqf 1
. 2 . 327 . 1 1 12 CYS HB3 H -2.284 -12.010 0.371 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB3 . . . . . . . . . rr_6pqf 1
. 2 . 328 . 1 1 12 CYS N N -0.272 -12.185 -1.505 . . . 1.0 . . . . . . . . . . . . A . 12 CYS N . . . . . . . . . rr_6pqf 1
. 2 . 329 . 1 1 12 CYS O O -0.839 -10.045 1.081 . . . 1.0 . . . . . . . . . . . . A . 12 CYS O . . . . . . . . . rr_6pqf 1
. 2 . 330 . 1 1 12 CYS SG S -3.603 -10.130 -0.269 . . . 1.0 . . . . . . . . . . . . A . 12 CYS SG . . . . . . . . . rr_6pqf 1
. 2 . 331 . 1 1 13 ALA C C 2.079 -7.619 -0.089 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . rr_6pqf 1
. 2 . 332 . 1 1 13 ALA CA C 1.643 -8.933 0.551 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . rr_6pqf 1
. 2 . 333 . 1 1 13 ALA CB C 2.856 -9.724 1.018 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . rr_6pqf 1
. 2 . 334 . 1 1 13 ALA H H 1.192 -9.903 -1.275 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . rr_6pqf 1
. 2 . 335 . 1 1 13 ALA HA H 1.032 -8.715 1.415 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . rr_6pqf 1
. 2 . 336 . 1 1 13 ALA HB1 H 3.487 -9.090 1.624 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . rr_6pqf 1
. 2 . 337 . 1 1 13 ALA HB2 H 2.530 -10.572 1.601 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . rr_6pqf 1
. 2 . 338 . 1 1 13 ALA HB3 H 3.412 -10.069 0.159 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . rr_6pqf 1
. 2 . 339 . 1 1 13 ALA N N 0.847 -9.729 -0.375 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . rr_6pqf 1
. 2 . 340 . 1 1 13 ALA O O 2.139 -6.598 0.594 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . rr_6pqf 1
. 2 . 341 . 1 1 14 ALA C C 2.841 -6.928 -3.672 . . . 1.0 . . . . . . . . . . . . A . 14 ALA C . . . . . . . . . rr_6pqf 1
. 2 . 342 . 1 1 14 ALA CA C 2.802 -6.507 -2.136 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CA . . . . . . . . . rr_6pqf 1
. 2 . 343 . 1 1 14 ALA CB C 4.143 -6.004 -1.746 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CB . . . . . . . . . rr_6pqf 1
. 2 . 344 . 1 1 14 ALA H H 2.297 -8.528 -1.835 . . . 1.0 . . . . . . . . . . . . A . 14 ALA H . . . . . . . . . rr_6pqf 1
. 2 . 345 . 1 1 14 ALA HA H 2.045 -5.748 -2.082 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HA . . . . . . . . . rr_6pqf 1
. 2 . 346 . 1 1 14 ALA HB1 H 4.677 -6.765 -1.196 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB1 . . . . . . . . . rr_6pqf 1
. 2 . 347 . 1 1 14 ALA HB2 H 4.675 -5.787 -2.660 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB2 . . . . . . . . . rr_6pqf 1
. 2 . 348 . 1 1 14 ALA N N 2.375 -7.667 -1.374 . . . 1.0 . . . . . . . . . . . . A . 14 ALA N . . . . . . . . . rr_6pqf 1
. 2 . 349 . 1 1 14 ALA O O 2.459 -6.153 -4.549 . . . 1.0 . . . . . . . . . . . . A . 14 ALA O . . . . . . . . . rr_6pqf 1
. 2 . 350 . 1 1 15 SER C C 2.057 -8.912 -5.896 . . . 1.0 . . . . . . . . . . . . A . 15 SER C . . . . . . . . . rr_6pqf 1
. 2 . 351 . 1 1 15 SER CA C 3.435 -8.636 -5.302 . . . 1.0 . . . . . . . . . . . . A . 15 SER CA . . . . . . . . . rr_6pqf 1
. 2 . 352 . 1 1 15 SER CB C 4.282 -9.909 -5.336 . . . 1.0 . . . . . . . . . . . . A . 15 SER CB . . . . . . . . . rr_6pqf 1
. 2 . 353 . 1 1 15 SER H H 3.610 -8.711 -3.194 . . . 1.0 . . . . . . . . . . . . A . 15 SER H . . . . . . . . . rr_6pqf 1
. 2 . 354 . 1 1 15 SER HA H 3.922 -7.874 -5.892 . . . 1.0 . . . . . . . . . . . . A . 15 SER HA . . . . . . . . . rr_6pqf 1
. 2 . 355 . 1 1 15 SER HB2 H 4.084 -10.494 -4.451 . . . 1.0 . . . . . . . . . . . . A . 15 SER HB2 . . . . . . . . . rr_6pqf 1
. 2 . 356 . 1 1 15 SER HB3 H 4.025 -10.486 -6.213 . . . 1.0 . . . . . . . . . . . . A . 15 SER HB3 . . . . . . . . . rr_6pqf 1
. 2 . 357 . 1 1 15 SER HG H 5.999 -9.758 -6.266 . . . 1.0 . . . . . . . . . . . . A . 15 SER HG . . . . . . . . . rr_6pqf 1
. 2 . 358 . 1 1 15 SER N N 3.322 -8.139 -3.936 . . . 1.0 . . . . . . . . . . . . A . 15 SER N . . . . . . . . . rr_6pqf 1
. 2 . 359 . 1 1 15 SER O O 1.599 -8.199 -6.790 . . . 1.0 . . . . . . . . . . . . A . 15 SER O . . . . . . . . . rr_6pqf 1
. 2 . 360 . 1 1 15 SER OG O 5.664 -9.602 -5.380 . . . 1.0 . . . . . . . . . . . . A . 15 SER OG . . . . . . . . . rr_6pqf 1
. 2 . 361 . 1 1 16 CYS C C -0.997 -9.425 -5.261 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . rr_6pqf 1
. 2 . 362 . 1 1 16 CYS CA C 0.075 -10.324 -5.871 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . rr_6pqf 1
. 2 . 363 . 1 1 16 CYS CB C -0.219 -11.787 -5.534 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . rr_6pqf 1
. 2 . 364 . 1 1 16 CYS H H 1.818 -10.482 -4.680 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . rr_6pqf 1
. 2 . 365 . 1 1 16 CYS HA H 0.062 -10.201 -6.943 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . rr_6pqf 1
. 2 . 366 . 1 1 16 CYS HB2 H -0.454 -11.866 -4.482 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . rr_6pqf 1
. 2 . 367 . 1 1 16 CYS HB3 H -1.069 -12.118 -6.113 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . rr_6pqf 1
. 2 . 368 . 1 1 16 CYS N N 1.400 -9.951 -5.392 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . rr_6pqf 1
. 2 . 369 . 1 1 16 CYS O O -0.811 -8.865 -4.181 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . rr_6pqf 1
. 2 . 370 . 1 1 16 CYS SG S 1.163 -12.922 -5.879 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . rr_6pqf 1
. 2 . 371 . 1 1 17 ALA C C -4.371 -9.321 -4.973 . . . 1.0 . . . . . . . . . . . . A . 17 ALA C . . . . . . . . . rr_6pqf 1
. 2 . 372 . 1 1 17 ALA CA C -3.220 -8.463 -5.488 . . . 1.0 . . . . . . . . . . . . A . 17 ALA CA . . . . . . . . . rr_6pqf 1
. 2 . 373 . 1 1 17 ALA CB C -3.702 -7.542 -6.599 . . . 1.0 . . . . . . . . . . . . A . 17 ALA CB . . . . . . . . . rr_6pqf 1
. 2 . 374 . 1 1 17 ALA H H -2.207 -9.763 -6.816 . . . 1.0 . . . . . . . . . . . . A . 17 ALA H . . . . . . . . . rr_6pqf 1
. 2 . 375 . 1 1 17 ALA HA H -2.853 -7.849 -4.679 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HA . . . . . . . . . rr_6pqf 1
. 2 . 376 . 1 1 17 ALA HB1 H -4.017 -8.134 -7.446 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB1 . . . . . . . . . rr_6pqf 1
. 2 . 377 . 1 1 17 ALA HB2 H -4.534 -6.953 -6.242 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB2 . . . . . . . . . rr_6pqf 1
. 2 . 378 . 1 1 17 ALA HB3 H -2.898 -6.886 -6.897 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB3 . . . . . . . . . rr_6pqf 1
. 2 . 379 . 1 1 17 ALA N N -2.118 -9.291 -5.961 . . . 1.0 . . . . . . . . . . . . A . 17 ALA N . . . . . . . . . rr_6pqf 1
. 2 . 380 . 1 1 17 ALA O O -5.333 -9.555 -5.704 . . . 1.0 . . . . . . . . . . . . A . 17 ALA O . . . . . . . . . rr_6pqf 1
. 2 . 381 . 1 1 18 ALA C C -6.666 -9.868 -3.271 . . . 1.0 . . . . . . . . . . . . A . 18 ALA C . . . . . . . . . rr_6pqf 1
. 2 . 382 . 1 1 18 ALA CA C -5.261 -10.598 -3.095 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CA . . . . . . . . . rr_6pqf 1
. 2 . 383 . 1 1 18 ALA CB C -5.013 -10.812 -1.648 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CB . . . . . . . . . rr_6pqf 1
. 2 . 384 . 1 1 18 ALA H H -3.450 -9.533 -3.233 . . . 1.0 . . . . . . . . . . . . A . 18 ALA H . . . . . . . . . rr_6pqf 1
. 2 . 385 . 1 1 18 ALA HA H -5.364 -11.519 -3.637 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HA . . . . . . . . . rr_6pqf 1
. 2 . 386 . 1 1 18 ALA HB1 H -5.887 -10.532 -1.078 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB1 . . . . . . . . . rr_6pqf 1
. 2 . 387 . 1 1 18 ALA HB2 H -4.825 -11.867 -1.514 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB2 . . . . . . . . . rr_6pqf 1
. 2 . 388 . 1 1 18 ALA N N -4.255 -9.772 -3.739 . . . 1.0 . . . . . . . . . . . . A . 18 ALA N . . . . . . . . . rr_6pqf 1
. 2 . 389 . 1 1 18 ALA O O -7.584 -10.406 -3.890 . . . 1.0 . . . . . . . . . . . . A . 18 ALA O . . . . . . . . . rr_6pqf 1
. 2 . 390 . 1 1 19 SER C C -8.303 -7.447 -4.187 . . . 1.0 . . . . . . . . . . . . A . 19 SER C . . . . . . . . . rr_6pqf 1
. 2 . 391 . 1 1 19 SER CA C -8.025 -7.914 -2.762 . . . 1.0 . . . . . . . . . . . . A . 19 SER CA . . . . . . . . . rr_6pqf 1
. 2 . 392 . 1 1 19 SER CB C -7.958 -6.708 -1.822 . . . 1.0 . . . . . . . . . . . . A . 19 SER CB . . . . . . . . . rr_6pqf 1
. 2 . 393 . 1 1 19 SER H H -6.015 -8.298 -2.217 . . . 1.0 . . . . . . . . . . . . A . 19 SER H . . . . . . . . . rr_6pqf 1
. 2 . 394 . 1 1 19 SER HA H -8.828 -8.562 -2.444 . . . 1.0 . . . . . . . . . . . . A . 19 SER HA . . . . . . . . . rr_6pqf 1
. 2 . 395 . 1 1 19 SER HB2 H -7.002 -6.220 -1.934 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB2 . . . . . . . . . rr_6pqf 1
. 2 . 396 . 1 1 19 SER HB3 H -8.748 -6.015 -2.074 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB3 . . . . . . . . . rr_6pqf 1
. 2 . 397 . 1 1 19 SER HG H -7.611 -6.515 0.096 . . . 1.0 . . . . . . . . . . . . A . 19 SER HG . . . . . . . . . rr_6pqf 1
. 2 . 398 . 1 1 19 SER N N -6.783 -8.675 -2.697 . . . 1.0 . . . . . . . . . . . . A . 19 SER N . . . . . . . . . rr_6pqf 1
. 2 . 399 . 1 1 19 SER O O -7.565 -6.634 -4.740 . . . 1.0 . . . . . . . . . . . . A . 19 SER O . . . . . . . . . rr_6pqf 1
. 2 . 400 . 1 1 19 SER OG O -8.113 -7.105 -0.471 . . . 1.0 . . . . . . . . . . . . A . 19 SER OG . . . . . . . . . rr_6pqf 1
. 3 . 401 . 1 1 1 ALA C C 2.843 -0.046 -0.200 . . . 1.0 . . . . . . . . . . . . A . 1 ALA C . . . . . . . . . rr_6pqf 1
. 3 . 402 . 1 1 1 ALA CA C 1.465 0.464 0.206 . . . 1.0 . . . . . . . . . . . . A . 1 ALA CA . . . . . . . . . rr_6pqf 1
. 3 . 403 . 1 1 1 ALA CB C 0.626 0.763 -1.028 . . . 1.0 . . . . . . . . . . . . A . 1 ALA CB . . . . . . . . . rr_6pqf 1
. 3 . 404 . 1 1 1 ALA H1 H 1.730 2.522 0.624 . . . 1.0 . . . . . . . . . . . . A . 1 ALA H1 . . . . . . . . . rr_6pqf 1
. 3 . 405 . 1 1 1 ALA HA H 0.961 -0.304 0.776 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HA . . . . . . . . . rr_6pqf 1
. 3 . 406 . 1 1 1 ALA HB1 H -0.299 0.206 -0.977 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB1 . . . . . . . . . rr_6pqf 1
. 3 . 407 . 1 1 1 ALA HB2 H 0.409 1.820 -1.069 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB2 . . . . . . . . . rr_6pqf 1
. 3 . 408 . 1 1 1 ALA HB3 H 1.172 0.472 -1.913 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB3 . . . . . . . . . rr_6pqf 1
. 3 . 409 . 1 1 1 ALA N N 1.570 1.651 1.045 . . . 1.0 . . . . . . . . . . . . A . 1 ALA N . . . . . . . . . rr_6pqf 1
. 3 . 410 . 1 1 1 ALA O O 3.826 0.695 -0.161 . . . 1.0 . . . . . . . . . . . . A . 1 ALA O . . . . . . . . . rr_6pqf 1
. 3 . 411 . 1 1 2 CYS C C 4.757 -1.196 -2.203 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_6pqf 1
. 3 . 412 . 1 1 2 CYS CA C 4.167 -1.925 -0.999 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_6pqf 1
. 3 . 413 . 1 1 2 CYS CB C 3.956 -3.402 -1.338 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_6pqf 1
. 3 . 414 . 1 1 2 CYS H H 2.090 -1.855 -0.597 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_6pqf 1
. 3 . 415 . 1 1 2 CYS HA H 4.859 -1.849 -0.174 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_6pqf 1
. 3 . 416 . 1 1 2 CYS HB2 H 3.397 -3.870 -0.540 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_6pqf 1
. 3 . 417 . 1 1 2 CYS HB3 H 3.392 -3.476 -2.256 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_6pqf 1
. 3 . 418 . 1 1 2 CYS N N 2.909 -1.315 -0.588 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_6pqf 1
. 3 . 419 . 1 1 2 CYS O O 4.029 -0.632 -3.019 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_6pqf 1
. 3 . 420 . 1 1 2 CYS SG S 5.500 -4.344 -1.556 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_6pqf 1
. 3 . 421 . 1 1 3 GLY C C 7.064 -1.499 -4.552 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6pqf 1
. 3 . 422 . 1 1 3 GLY CA C 6.748 -0.550 -3.413 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6pqf 1
. 3 . 423 . 1 1 3 GLY H H 6.613 -1.678 -1.627 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6pqf 1
. 3 . 424 . 1 1 3 GLY HA2 H 6.111 0.240 -3.782 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6pqf 1
. 3 . 425 . 1 1 3 GLY HA3 H 7.671 -0.116 -3.056 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6pqf 1
. 3 . 426 . 1 1 3 GLY N N 6.083 -1.212 -2.307 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6pqf 1
. 3 . 427 . 1 1 3 GLY O O 7.001 -1.132 -5.726 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6pqf 1
. 3 . 428 . 1 1 4 . C C 9.222 -3.708 -5.635 . . . 1.0 . . . . . . . . . . . . A . 4 DBB C . . . . . . . . . rr_6pqf 1
. 3 . 429 . 1 1 4 . CA C 7.731 -3.690 -5.253 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CA . . . . . . . . . rr_6pqf 1
. 3 . 430 . 1 1 4 . CB C 7.245 -5.080 -4.794 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CB . . . . . . . . . rr_6pqf 1
. 3 . 431 . 1 1 4 . CG C 7.367 -6.068 -5.943 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CG . . . . . . . . . rr_6pqf 1
. 3 . 432 . 1 1 4 . H H 7.447 -2.985 -3.265 . . . 1.0 . . . . . . . . . . . . A . 4 DBB H . . . . . . . . . rr_6pqf 1
. 3 . 433 . 1 1 4 . HA H 7.166 -3.427 -6.125 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HA . . . . . . . . . rr_6pqf 1
. 3 . 434 . 1 1 4 . HB2 H 6.203 -4.964 -4.588 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HB2 . . . . . . . . . rr_6pqf 1
. 3 . 435 . 1 1 4 . HG1 H 8.412 -6.212 -6.169 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG1 . . . . . . . . . rr_6pqf 1
. 3 . 436 . 1 1 4 . HG2 H 6.859 -5.676 -6.811 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG2 . . . . . . . . . rr_6pqf 1
. 3 . 437 . 1 1 4 . HG3 H 6.926 -7.009 -5.656 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG3 . . . . . . . . . rr_6pqf 1
. 3 . 438 . 1 1 4 . N N 7.407 -2.726 -4.214 . . . 1.0 . . . . . . . . . . . . A . 4 DBB N . . . . . . . . . rr_6pqf 1
. 3 . 439 . 1 1 4 . O O 9.525 -3.569 -6.819 . . . 1.0 . . . . . . . . . . . . A . 4 DBB O . . . . . . . . . rr_6pqf 1
. 3 . 440 . 1 1 5 GLY C C 11.932 -4.782 -6.043 . . . 1.0 . . . . . . . . . . . . A . 5 GLY C . . . . . . . . . rr_6pqf 1
. 3 . 441 . 1 1 5 GLY CA C 11.544 -3.789 -4.966 . . . 1.0 . . . . . . . . . . . . A . 5 GLY CA . . . . . . . . . rr_6pqf 1
. 3 . 442 . 1 1 5 GLY H H 9.824 -3.931 -3.739 . . . 1.0 . . . . . . . . . . . . A . 5 GLY H . . . . . . . . . rr_6pqf 1
. 3 . 443 . 1 1 5 GLY HA2 H 11.808 -2.795 -5.295 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA2 . . . . . . . . . rr_6pqf 1
. 3 . 444 . 1 1 5 GLY HA3 H 12.096 -4.018 -4.066 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA3 . . . . . . . . . rr_6pqf 1
. 3 . 445 . 1 1 5 GLY N N 10.125 -3.823 -4.666 . . . 1.0 . . . . . . . . . . . . A . 5 GLY N . . . . . . . . . rr_6pqf 1
. 3 . 446 . 1 1 5 GLY O O 11.890 -4.530 -7.244 . . . 1.0 . . . . . . . . . . . . A . 5 GLY O . . . . . . . . . rr_6pqf 1
. 3 . 447 . 1 1 6 . C C 11.422 -7.872 -6.958 . . . 1.0 . . . . . . . . . . . . A . 6 IAS C . . . . . . . . . rr_6pqf 1
. 3 . 448 . 1 1 6 . CA C 12.635 -7.044 -6.579 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CA . . . . . . . . . rr_6pqf 1
. 3 . 449 . 1 1 6 . CB C 13.799 -7.953 -6.142 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CB . . . . . . . . . rr_6pqf 1
. 3 . 450 . 1 1 6 . CG C 13.609 -8.556 -4.757 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CG . . . . . . . . . rr_6pqf 1
. 3 . 451 . 1 1 6 . H H 12.379 -6.206 -4.650 . . . 1.0 . . . . . . . . . . . . A . 6 IAS H . . . . . . . . . rr_6pqf 1
. 3 . 452 . 1 1 6 . HA H 12.909 -6.561 -7.510 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HA . . . . . . . . . rr_6pqf 1
. 3 . 453 . 1 1 6 . HB2 H 14.693 -7.349 -6.086 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HB2 . . . . . . . . . rr_6pqf 1
. 3 . 454 . 1 1 6 . HB3 H 13.934 -8.726 -6.883 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HB3 . . . . . . . . . rr_6pqf 1
. 3 . 455 . 1 1 6 . HXT H 11.018 -9.092 -8.400 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HXT . . . . . . . . . rr_6pqf 1
. 3 . 456 . 1 1 6 . N N 12.341 -5.990 -5.622 . . . 1.0 . . . . . . . . . . . . A . 6 IAS N . . . . . . . . . rr_6pqf 1
. 3 . 457 . 1 1 6 . O O 10.324 -7.735 -6.481 . . . 1.0 . . . . . . . . . . . . A . 6 IAS O . . . . . . . . . rr_6pqf 1
. 3 . 458 . 1 1 6 . OD1 O 13.304 -9.738 -4.604 . . . 1.0 . . . . . . . . . . . . A . 6 IAS OD1 . . . . . . . . . rr_6pqf 1
. 3 . 459 . 1 1 6 . OXT O 11.744 -8.869 -7.798 . . . 1.0 . . . . . . . . . . . . A . 6 IAS OXT . . . . . . . . . rr_6pqf 1
. 3 . 460 . 1 1 7 GLY C C 12.221 -7.961 -1.851 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . rr_6pqf 1
. 3 . 461 . 1 1 7 GLY CA C 13.630 -8.169 -2.370 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . rr_6pqf 1
. 3 . 462 . 1 1 7 GLY H H 14.031 -6.786 -3.922 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . rr_6pqf 1
. 3 . 463 . 1 1 7 GLY HA2 H 13.870 -9.220 -2.319 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . rr_6pqf 1
. 3 . 464 . 1 1 7 GLY HA3 H 14.317 -7.621 -1.741 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . rr_6pqf 1
. 3 . 465 . 1 1 7 GLY N N 13.789 -7.718 -3.740 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . rr_6pqf 1
. 3 . 466 . 1 1 7 GLY O O 11.995 -7.933 -0.641 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . rr_6pqf 1
. 3 . 467 . 1 1 8 CYS C C 9.156 -8.938 -2.215 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . rr_6pqf 1
. 3 . 468 . 1 1 8 CYS CA C 9.876 -7.605 -2.397 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . rr_6pqf 1
. 3 . 469 . 1 1 8 CYS CB C 9.163 -6.769 -3.461 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . rr_6pqf 1
. 3 . 470 . 1 1 8 CYS H H 11.512 -7.846 -3.718 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . rr_6pqf 1
. 3 . 471 . 1 1 8 CYS HA H 9.858 -7.070 -1.460 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . rr_6pqf 1
. 3 . 472 . 1 1 8 CYS HB2 H 9.889 -6.151 -3.968 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . rr_6pqf 1
. 3 . 473 . 1 1 8 CYS HB3 H 8.699 -7.432 -4.178 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . rr_6pqf 1
. 3 . 474 . 1 1 8 CYS N N 11.270 -7.814 -2.767 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . rr_6pqf 1
. 3 . 475 . 1 1 8 CYS O O 9.558 -9.955 -2.780 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . rr_6pqf 1
. 3 . 476 . 1 1 8 CYS SG S 7.867 -5.672 -2.801 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . rr_6pqf 1
. 3 . 477 . 1 1 9 ALA C C 6.479 -10.515 -2.386 . . . 1.0 . . . . . . . . . . . . A . 9 ALA C . . . . . . . . . rr_6pqf 1
. 3 . 478 . 1 1 9 ALA CA C 7.312 -10.132 -1.167 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CA . . . . . . . . . rr_6pqf 1
. 3 . 479 . 1 1 9 ALA CB C 6.416 -9.936 0.047 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CB . . . . . . . . . rr_6pqf 1
. 3 . 480 . 1 1 9 ALA H H 7.818 -8.084 -1.000 . . . 1.0 . . . . . . . . . . . . A . 9 ALA H . . . . . . . . . rr_6pqf 1
. 3 . 481 . 1 1 9 ALA HA H 8.003 -10.934 -0.949 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HA . . . . . . . . . rr_6pqf 1
. 3 . 482 . 1 1 9 ALA HB1 H 5.652 -9.208 -0.185 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB1 . . . . . . . . . rr_6pqf 1
. 3 . 483 . 1 1 9 ALA HB2 H 5.952 -10.876 0.307 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB2 . . . . . . . . . rr_6pqf 1
. 3 . 484 . 1 1 9 ALA HB3 H 7.009 -9.584 0.878 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB3 . . . . . . . . . rr_6pqf 1
. 3 . 485 . 1 1 9 ALA N N 8.089 -8.925 -1.422 . . . 1.0 . . . . . . . . . . . . A . 9 ALA N . . . . . . . . . rr_6pqf 1
. 3 . 486 . 1 1 9 ALA O O 6.301 -9.717 -3.305 . . . 1.0 . . . . . . . . . . . . A . 9 ALA O . . . . . . . . . rr_6pqf 1
. 3 . 487 . 1 1 10 LYS C C 3.701 -12.398 -3.062 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_6pqf 1
. 3 . 488 . 1 1 10 LYS CA C 5.155 -12.234 -3.491 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_6pqf 1
. 3 . 489 . 1 1 10 LYS CB C 5.702 -13.569 -4.001 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_6pqf 1
. 3 . 490 . 1 1 10 LYS CD C 4.680 -15.691 -3.126 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_6pqf 1
. 3 . 491 . 1 1 10 LYS CE C 5.077 -16.724 -4.169 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_6pqf 1
. 3 . 492 . 1 1 10 LYS CG C 5.767 -14.647 -2.933 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_6pqf 1
. 3 . 493 . 1 1 10 LYS H H 6.148 -12.334 -1.624 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_6pqf 1
. 3 . 494 . 1 1 10 LYS HA H 5.204 -11.507 -4.287 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_6pqf 1
. 3 . 495 . 1 1 10 LYS HB2 H 5.067 -13.922 -4.801 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_6pqf 1
. 3 . 496 . 1 1 10 LYS HB3 H 6.699 -13.413 -4.387 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_6pqf 1
. 3 . 497 . 1 1 10 LYS HD2 H 4.504 -16.193 -2.187 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_6pqf 1
. 3 . 498 . 1 1 10 LYS HD3 H 3.773 -15.197 -3.447 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_6pqf 1
. 3 . 499 . 1 1 10 LYS HE2 H 4.186 -17.222 -4.520 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_6pqf 1
. 3 . 500 . 1 1 10 LYS HE3 H 5.555 -16.217 -4.995 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_6pqf 1
. 3 . 501 . 1 1 10 LYS HG2 H 6.730 -15.134 -2.984 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_6pqf 1
. 3 . 502 . 1 1 10 LYS HG3 H 5.645 -14.188 -1.963 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_6pqf 1
. 3 . 503 . 1 1 10 LYS HZ1 H 5.753 -18.688 -3.952 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . rr_6pqf 1
. 3 . 504 . 1 1 10 LYS HZ2 H 5.978 -17.730 -2.576 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . rr_6pqf 1
. 3 . 505 . 1 1 10 LYS HZ3 H 6.987 -17.531 -3.919 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_6pqf 1
. 3 . 506 . 1 1 10 LYS N N 5.971 -11.743 -2.386 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_6pqf 1
. 3 . 507 . 1 1 10 LYS NZ N 6.015 -17.739 -3.615 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_6pqf 1
. 3 . 508 . 1 1 10 LYS O O 3.322 -12.070 -1.937 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_6pqf 1
. 3 . 509 . 1 1 11 . C C 0.797 -11.815 -3.107 . . . 1.0 . . . . . . . . . . . . A . 11 DBB C . . . . . . . . . rr_6pqf 1
. 3 . 510 . 1 1 11 . CA C 1.479 -13.092 -3.628 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CA . . . . . . . . . rr_6pqf 1
. 3 . 511 . 1 1 11 . CB C 0.756 -13.658 -4.868 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CB . . . . . . . . . rr_6pqf 1
. 3 . 512 . 1 1 11 . CG C -0.658 -14.068 -4.491 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CG . . . . . . . . . rr_6pqf 1
. 3 . 513 . 1 1 11 . H H 3.219 -13.160 -4.851 . . . 1.0 . . . . . . . . . . . . A . 11 DBB H . . . . . . . . . rr_6pqf 1
. 3 . 514 . 1 1 11 . HA H 1.424 -13.838 -2.860 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HA . . . . . . . . . rr_6pqf 1
. 3 . 515 . 1 1 11 . HB2 H 1.285 -14.550 -5.124 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HB2 . . . . . . . . . rr_6pqf 1
. 3 . 516 . 1 1 11 . HG1 H -1.194 -13.196 -4.147 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG1 . . . . . . . . . rr_6pqf 1
. 3 . 517 . 1 1 11 . HG2 H -0.622 -14.805 -3.703 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG2 . . . . . . . . . rr_6pqf 1
. 3 . 518 . 1 1 11 . HG3 H -1.155 -14.480 -5.354 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG3 . . . . . . . . . rr_6pqf 1
. 3 . 519 . 1 1 11 . N N 2.882 -12.909 -3.962 . . . 1.0 . . . . . . . . . . . . A . 11 DBB N . . . . . . . . . rr_6pqf 1
. 3 . 520 . 1 1 11 . O O 1.192 -10.726 -3.526 . . . 1.0 . . . . . . . . . . . . A . 11 DBB O . . . . . . . . . rr_6pqf 1
. 3 . 521 . 1 1 12 CYS C C -0.166 -10.065 -0.674 . . . 1.0 . . . . . . . . . . . . A . 12 CYS C . . . . . . . . . rr_6pqf 1
. 3 . 522 . 1 1 12 CYS CA C -0.953 -10.777 -1.771 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CA . . . . . . . . . rr_6pqf 1
. 3 . 523 . 1 1 12 CYS CB C -2.324 -11.199 -1.238 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CB . . . . . . . . . rr_6pqf 1
. 3 . 524 . 1 1 12 CYS H H -0.491 -12.833 -1.966 . . . 1.0 . . . . . . . . . . . . A . 12 CYS H . . . . . . . . . rr_6pqf 1
. 3 . 525 . 1 1 12 CYS HA H -1.092 -10.097 -2.597 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HA . . . . . . . . . rr_6pqf 1
. 3 . 526 . 1 1 12 CYS HB2 H -2.199 -11.655 -0.267 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB2 . . . . . . . . . rr_6pqf 1
. 3 . 527 . 1 1 12 CYS HB3 H -2.949 -10.324 -1.141 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB3 . . . . . . . . . rr_6pqf 1
. 3 . 528 . 1 1 12 CYS N N -0.223 -11.938 -2.264 . . . 1.0 . . . . . . . . . . . . A . 12 CYS N . . . . . . . . . rr_6pqf 1
. 3 . 529 . 1 1 12 CYS O O -0.644 -9.916 0.450 . . . 1.0 . . . . . . . . . . . . A . 12 CYS O . . . . . . . . . rr_6pqf 1
. 3 . 530 . 1 1 12 CYS SG S -3.199 -12.392 -2.300 . . . 1.0 . . . . . . . . . . . . A . 12 CYS SG . . . . . . . . . rr_6pqf 1
. 3 . 531 . 1 1 13 ALA C C 2.391 -7.605 -0.630 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . rr_6pqf 1
. 3 . 532 . 1 1 13 ALA CA C 1.895 -8.928 -0.057 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . rr_6pqf 1
. 3 . 533 . 1 1 13 ALA CB C 3.072 -9.807 0.341 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . rr_6pqf 1
. 3 . 534 . 1 1 13 ALA H H 1.368 -9.775 -1.923 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . rr_6pqf 1
. 3 . 535 . 1 1 13 ALA HA H 1.310 -8.729 0.830 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . rr_6pqf 1
. 3 . 536 . 1 1 13 ALA HB1 H 3.771 -9.227 0.927 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . rr_6pqf 1
. 3 . 537 . 1 1 13 ALA HB2 H 2.716 -10.641 0.927 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . rr_6pqf 1
. 3 . 538 . 1 1 13 ALA HB3 H 3.563 -10.174 -0.547 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . rr_6pqf 1
. 3 . 539 . 1 1 13 ALA N N 1.043 -9.627 -1.011 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . rr_6pqf 1
. 3 . 540 . 1 1 13 ALA O O 2.524 -6.631 0.110 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . rr_6pqf 1
. 3 . 541 . 1 1 14 ALA C C 3.042 -6.718 -4.188 . . . 1.0 . . . . . . . . . . . . A . 14 ALA C . . . . . . . . . rr_6pqf 1
. 3 . 542 . 1 1 14 ALA CA C 3.128 -6.413 -2.626 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CA . . . . . . . . . rr_6pqf 1
. 3 . 543 . 1 1 14 ALA CB C 4.526 -6.046 -2.289 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CB . . . . . . . . . rr_6pqf 1
. 3 . 544 . 1 1 14 ALA H H 2.516 -8.418 -2.432 . . . 1.0 . . . . . . . . . . . . A . 14 ALA H . . . . . . . . . rr_6pqf 1
. 3 . 545 . 1 1 14 ALA HA H 2.439 -5.605 -2.470 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HA . . . . . . . . . rr_6pqf 1
. 3 . 546 . 1 1 14 ALA HB1 H 4.921 -6.733 -1.555 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB1 . . . . . . . . . rr_6pqf 1
. 3 . 547 . 1 1 14 ALA HB2 H 5.101 -6.129 -3.199 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB2 . . . . . . . . . rr_6pqf 1
. 3 . 548 . 1 1 14 ALA N N 2.653 -7.591 -1.923 . . . 1.0 . . . . . . . . . . . . A . 14 ALA N . . . . . . . . . rr_6pqf 1
. 3 . 549 . 1 1 14 ALA O O 2.663 -5.855 -4.980 . . . 1.0 . . . . . . . . . . . . A . 14 ALA O . . . . . . . . . rr_6pqf 1
. 3 . 550 . 1 1 15 SER C C 1.985 -8.511 -6.479 . . . 1.0 . . . . . . . . . . . . A . 15 SER C . . . . . . . . . rr_6pqf 1
. 3 . 551 . 1 1 15 SER CA C 3.412 -8.332 -5.972 . . . 1.0 . . . . . . . . . . . . A . 15 SER CA . . . . . . . . . rr_6pqf 1
. 3 . 552 . 1 1 15 SER CB C 4.198 -9.631 -6.159 . . . 1.0 . . . . . . . . . . . . A . 15 SER CB . . . . . . . . . rr_6pqf 1
. 3 . 553 . 1 1 15 SER H H 3.711 -8.579 -3.890 . . . 1.0 . . . . . . . . . . . . A . 15 SER H . . . . . . . . . rr_6pqf 1
. 3 . 554 . 1 1 15 SER HA H 3.889 -7.548 -6.541 . . . 1.0 . . . . . . . . . . . . A . 15 SER HA . . . . . . . . . rr_6pqf 1
. 3 . 555 . 1 1 15 SER HB2 H 5.219 -9.480 -5.842 . . . 1.0 . . . . . . . . . . . . A . 15 SER HB2 . . . . . . . . . rr_6pqf 1
. 3 . 556 . 1 1 15 SER HB3 H 3.747 -10.411 -5.563 . . . 1.0 . . . . . . . . . . . . A . 15 SER HB3 . . . . . . . . . rr_6pqf 1
. 3 . 557 . 1 1 15 SER HG H 4.453 -9.297 -8.073 . . . 1.0 . . . . . . . . . . . . A . 15 SER HG . . . . . . . . . rr_6pqf 1
. 3 . 558 . 1 1 15 SER N N 3.419 -7.935 -4.569 . . . 1.0 . . . . . . . . . . . . A . 15 SER N . . . . . . . . . rr_6pqf 1
. 3 . 559 . 1 1 15 SER O O 1.473 -7.683 -7.234 . . . 1.0 . . . . . . . . . . . . A . 15 SER O . . . . . . . . . rr_6pqf 1
. 3 . 560 . 1 1 15 SER OG O 4.197 -10.037 -7.517 . . . 1.0 . . . . . . . . . . . . A . 15 SER OG . . . . . . . . . rr_6pqf 1
. 3 . 561 . 1 1 16 CYS C C -1.014 -8.994 -5.729 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . rr_6pqf 1
. 3 . 562 . 1 1 16 CYS CA C -0.023 -9.888 -6.469 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . rr_6pqf 1
. 3 . 563 . 1 1 16 CYS CB C -0.354 -11.359 -6.211 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . rr_6pqf 1
. 3 . 564 . 1 1 16 CYS H H 1.806 -10.221 -5.457 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . rr_6pqf 1
. 3 . 565 . 1 1 16 CYS HA H -0.101 -9.691 -7.528 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . rr_6pqf 1
. 3 . 566 . 1 1 16 CYS HB2 H -0.540 -11.498 -5.156 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . rr_6pqf 1
. 3 . 567 . 1 1 16 CYS HB3 H -1.242 -11.623 -6.765 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . rr_6pqf 1
. 3 . 568 . 1 1 16 CYS N N 1.346 -9.598 -6.059 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . rr_6pqf 1
. 3 . 569 . 1 1 16 CYS O O -0.722 -8.493 -4.644 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . rr_6pqf 1
. 3 . 570 . 1 1 16 CYS SG S 0.967 -12.515 -6.696 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . rr_6pqf 1
. 3 . 571 . 1 1 17 ALA C C -4.420 -8.809 -5.295 . . . 1.0 . . . . . . . . . . . . A . 17 ALA C . . . . . . . . . rr_6pqf 1
. 3 . 572 . 1 1 17 ALA CA C -3.221 -7.969 -5.721 . . . 1.0 . . . . . . . . . . . . A . 17 ALA CA . . . . . . . . . rr_6pqf 1
. 3 . 573 . 1 1 17 ALA CB C -3.654 -6.880 -6.691 . . . 1.0 . . . . . . . . . . . . A . 17 ALA CB . . . . . . . . . rr_6pqf 1
. 3 . 574 . 1 1 17 ALA H H -2.359 -9.226 -7.189 . . . 1.0 . . . . . . . . . . . . A . 17 ALA H . . . . . . . . . rr_6pqf 1
. 3 . 575 . 1 1 17 ALA HA H -2.799 -7.493 -4.848 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HA . . . . . . . . . rr_6pqf 1
. 3 . 576 . 1 1 17 ALA HB1 H -4.223 -7.321 -7.496 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB1 . . . . . . . . . rr_6pqf 1
. 3 . 577 . 1 1 17 ALA HB2 H -4.267 -6.158 -6.171 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB2 . . . . . . . . . rr_6pqf 1
. 3 . 578 . 1 1 17 ALA HB3 H -2.782 -6.388 -7.093 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB3 . . . . . . . . . rr_6pqf 1
. 3 . 579 . 1 1 17 ALA N N -2.186 -8.800 -6.325 . . . 1.0 . . . . . . . . . . . . A . 17 ALA N . . . . . . . . . rr_6pqf 1
. 3 . 580 . 1 1 17 ALA O O -5.398 -8.897 -6.036 . . . 1.0 . . . . . . . . . . . . A . 17 ALA O . . . . . . . . . rr_6pqf 1
. 3 . 581 . 1 1 18 ALA C C -6.452 -9.271 -2.895 . . . 1.0 . . . . . . . . . . . . A . 18 ALA C . . . . . . . . . rr_6pqf 1
. 3 . 582 . 1 1 18 ALA CA C -5.378 -10.238 -3.567 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CA . . . . . . . . . rr_6pqf 1
. 3 . 583 . 1 1 18 ALA CB C -4.896 -11.198 -2.543 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CB . . . . . . . . . rr_6pqf 1
. 3 . 584 . 1 1 18 ALA H H -3.506 -9.278 -3.602 . . . 1.0 . . . . . . . . . . . . A . 18 ALA H . . . . . . . . . rr_6pqf 1
. 3 . 585 . 1 1 18 ALA HA H -5.910 -10.719 -4.366 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HA . . . . . . . . . rr_6pqf 1
. 3 . 586 . 1 1 18 ALA HB1 H -4.848 -10.716 -1.578 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB1 . . . . . . . . . rr_6pqf 1
. 3 . 587 . 1 1 18 ALA HB2 H -5.615 -12.003 -2.503 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB2 . . . . . . . . . rr_6pqf 1
. 3 . 588 . 1 1 18 ALA N N -4.326 -9.407 -4.123 . . . 1.0 . . . . . . . . . . . . A . 18 ALA N . . . . . . . . . rr_6pqf 1
. 3 . 589 . 1 1 18 ALA O O -7.658 -9.462 -3.051 . . . 1.0 . . . . . . . . . . . . A . 18 ALA O . . . . . . . . . rr_6pqf 1
. 3 . 590 . 1 1 19 SER C C -6.447 -5.900 -1.778 . . . 1.0 . . . . . . . . . . . . A . 19 SER C . . . . . . . . . rr_6pqf 1
. 3 . 591 . 1 1 19 SER CA C -6.841 -7.340 -1.465 . . . 1.0 . . . . . . . . . . . . A . 19 SER CA . . . . . . . . . rr_6pqf 1
. 3 . 592 . 1 1 19 SER CB C -6.790 -7.578 0.045 . . . 1.0 . . . . . . . . . . . . A . 19 SER CB . . . . . . . . . rr_6pqf 1
. 3 . 593 . 1 1 19 SER H H -4.994 -8.180 -2.070 . . . 1.0 . . . . . . . . . . . . A . 19 SER H . . . . . . . . . rr_6pqf 1
. 3 . 594 . 1 1 19 SER HA H -7.849 -7.509 -1.814 . . . 1.0 . . . . . . . . . . . . A . 19 SER HA . . . . . . . . . rr_6pqf 1
. 3 . 595 . 1 1 19 SER HB2 H -6.828 -8.638 0.242 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB2 . . . . . . . . . rr_6pqf 1
. 3 . 596 . 1 1 19 SER HB3 H -5.871 -7.171 0.440 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB3 . . . . . . . . . rr_6pqf 1
. 3 . 597 . 1 1 19 SER HG H -8.675 -7.481 0.569 . . . 1.0 . . . . . . . . . . . . A . 19 SER HG . . . . . . . . . rr_6pqf 1
. 3 . 598 . 1 1 19 SER N N -5.965 -8.280 -2.155 . . . 1.0 . . . . . . . . . . . . A . 19 SER N . . . . . . . . . rr_6pqf 1
. 3 . 599 . 1 1 19 SER O O -5.290 -5.514 -1.618 . . . 1.0 . . . . . . . . . . . . A . 19 SER O . . . . . . . . . rr_6pqf 1
. 3 . 600 . 1 1 19 SER OG O -7.883 -6.954 0.697 . . . 1.0 . . . . . . . . . . . . A . 19 SER OG . . . . . . . . . rr_6pqf 1
. 4 . 601 . 1 1 1 ALA C C 3.091 -0.347 -0.306 . . . 1.0 . . . . . . . . . . . . A . 1 ALA C . . . . . . . . . rr_6pqf 1
. 4 . 602 . 1 1 1 ALA CA C 1.777 0.304 0.113 . . . 1.0 . . . . . . . . . . . . A . 1 ALA CA . . . . . . . . . rr_6pqf 1
. 4 . 603 . 1 1 1 ALA CB C 1.483 1.513 -0.762 . . . 1.0 . . . . . . . . . . . . A . 1 ALA CB . . . . . . . . . rr_6pqf 1
. 4 . 604 . 1 1 1 ALA H1 H 2.571 1.208 1.855 . . . 1.0 . . . . . . . . . . . . A . 1 ALA H1 . . . . . . . . . rr_6pqf 1
. 4 . 605 . 1 1 1 ALA HA H 0.976 -0.408 -0.018 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HA . . . . . . . . . rr_6pqf 1
. 4 . 606 . 1 1 1 ALA HB1 H 0.764 1.240 -1.522 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB1 . . . . . . . . . rr_6pqf 1
. 4 . 607 . 1 1 1 ALA HB2 H 1.079 2.308 -0.154 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB2 . . . . . . . . . rr_6pqf 1
. 4 . 608 . 1 1 1 ALA HB3 H 2.395 1.848 -1.233 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB3 . . . . . . . . . rr_6pqf 1
. 4 . 609 . 1 1 1 ALA N N 1.808 0.693 1.518 . . . 1.0 . . . . . . . . . . . . A . 1 ALA N . . . . . . . . . rr_6pqf 1
. 4 . 610 . 1 1 1 ALA O O 4.153 -0.025 0.229 . . . 1.0 . . . . . . . . . . . . A . 1 ALA O . . . . . . . . . rr_6pqf 1
. 4 . 611 . 1 1 2 CYS C C 4.662 -1.373 -3.082 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_6pqf 1
. 4 . 612 . 1 1 2 CYS CA C 4.195 -1.961 -1.754 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_6pqf 1
. 4 . 613 . 1 1 2 CYS CB C 3.900 -3.454 -1.920 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_6pqf 1
. 4 . 614 . 1 1 2 CYS H H 2.137 -1.477 -1.651 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_6pqf 1
. 4 . 615 . 1 1 2 CYS HA H 4.980 -1.838 -1.024 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_6pqf 1
. 4 . 616 . 1 1 2 CYS HB2 H 3.390 -3.812 -1.038 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_6pqf 1
. 4 . 617 . 1 1 2 CYS HB3 H 3.263 -3.593 -2.780 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_6pqf 1
. 4 . 618 . 1 1 2 CYS N N 3.013 -1.264 -1.264 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_6pqf 1
. 4 . 619 . 1 1 2 CYS O O 3.875 -0.792 -3.827 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_6pqf 1
. 4 . 620 . 1 1 2 CYS SG S 5.385 -4.483 -2.156 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_6pqf 1
. 4 . 621 . 1 1 3 GLY C C 6.923 -2.108 -5.564 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6pqf 1
. 4 . 622 . 1 1 3 GLY CA C 6.501 -1.009 -4.610 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6pqf 1
. 4 . 623 . 1 1 3 GLY H H 6.532 -2.002 -2.740 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6pqf 1
. 4 . 624 . 1 1 3 GLY HA2 H 5.755 -0.394 -5.092 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6pqf 1
. 4 . 625 . 1 1 3 GLY HA3 H 7.362 -0.399 -4.379 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6pqf 1
. 4 . 626 . 1 1 3 GLY N N 5.951 -1.529 -3.372 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6pqf 1
. 4 . 627 . 1 1 3 GLY O O 6.954 -1.921 -6.781 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6pqf 1
. 4 . 628 . 1 1 4 . C C 9.193 -4.404 -6.117 . . . 1.0 . . . . . . . . . . . . A . 4 DBB C . . . . . . . . . rr_6pqf 1
. 4 . 629 . 1 1 4 . CA C 7.674 -4.362 -5.872 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CA . . . . . . . . . rr_6pqf 1
. 4 . 630 . 1 1 4 . CB C 7.160 -5.679 -5.257 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CB . . . . . . . . . rr_6pqf 1
. 4 . 631 . 1 1 4 . CG C 7.391 -6.822 -6.231 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CG . . . . . . . . . rr_6pqf 1
. 4 . 632 . 1 1 4 . H H 7.215 -3.377 -4.042 . . . 1.0 . . . . . . . . . . . . A . 4 DBB H . . . . . . . . . rr_6pqf 1
. 4 . 633 . 1 1 4 . HA H 7.186 -4.241 -6.819 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HA . . . . . . . . . rr_6pqf 1
. 4 . 634 . 1 1 4 . HB2 H 6.103 -5.555 -5.161 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HB2 . . . . . . . . . rr_6pqf 1
. 4 . 635 . 1 1 4 . HG1 H 8.451 -6.920 -6.410 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG1 . . . . . . . . . rr_6pqf 1
. 4 . 636 . 1 1 4 . HG2 H 6.885 -6.611 -7.162 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG2 . . . . . . . . . rr_6pqf 1
. 4 . 637 . 1 1 4 . HG3 H 7.010 -7.738 -5.809 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG3 . . . . . . . . . rr_6pqf 1
. 4 . 638 . 1 1 4 . N N 7.252 -3.263 -5.019 . . . 1.0 . . . . . . . . . . . . A . 4 DBB N . . . . . . . . . rr_6pqf 1
. 4 . 639 . 1 1 4 . O O 9.600 -4.419 -7.278 . . . 1.0 . . . . . . . . . . . . A . 4 DBB O . . . . . . . . . rr_6pqf 1
. 4 . 640 . 1 1 5 GLY C C 11.935 -5.478 -6.138 . . . 1.0 . . . . . . . . . . . . A . 5 GLY C . . . . . . . . . rr_6pqf 1
. 4 . 641 . 1 1 5 GLY CA C 11.447 -4.356 -5.243 . . . 1.0 . . . . . . . . . . . . A . 5 GLY CA . . . . . . . . . rr_6pqf 1
. 4 . 642 . 1 1 5 GLY H H 9.626 -4.364 -4.163 . . . 1.0 . . . . . . . . . . . . A . 5 GLY H . . . . . . . . . rr_6pqf 1
. 4 . 643 . 1 1 5 GLY HA2 H 11.734 -3.411 -5.679 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA2 . . . . . . . . . rr_6pqf 1
. 4 . 644 . 1 1 5 GLY HA3 H 11.919 -4.452 -4.276 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA3 . . . . . . . . . rr_6pqf 1
. 4 . 645 . 1 1 5 GLY N N 10.007 -4.374 -5.066 . . . 1.0 . . . . . . . . . . . . A . 5 GLY N . . . . . . . . . rr_6pqf 1
. 4 . 646 . 1 1 5 GLY O O 12.001 -5.389 -7.361 . . . 1.0 . . . . . . . . . . . . A . 5 GLY O . . . . . . . . . rr_6pqf 1
. 4 . 647 . 1 1 6 . C C 11.518 -8.665 -6.677 . . . 1.0 . . . . . . . . . . . . A . 6 IAS C . . . . . . . . . rr_6pqf 1
. 4 . 648 . 1 1 6 . CA C 12.692 -7.779 -6.300 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CA . . . . . . . . . rr_6pqf 1
. 4 . 649 . 1 1 6 . CB C 13.807 -8.609 -5.639 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CB . . . . . . . . . rr_6pqf 1
. 4 . 650 . 1 1 6 . CG C 13.487 -9.023 -4.209 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CG . . . . . . . . . rr_6pqf 1
. 4 . 651 . 1 1 6 . H H 12.259 -6.696 -4.532 . . . 1.0 . . . . . . . . . . . . A . 6 IAS H . . . . . . . . . rr_6pqf 1
. 4 . 652 . 1 1 6 . HA H 13.053 -7.420 -7.257 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HA . . . . . . . . . rr_6pqf 1
. 4 . 653 . 1 1 6 . HB2 H 14.693 -7.993 -5.581 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HB2 . . . . . . . . . rr_6pqf 1
. 4 . 654 . 1 1 6 . HB3 H 14.010 -9.473 -6.253 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HB3 . . . . . . . . . rr_6pqf 1
. 4 . 655 . 1 1 6 . HXT H 12.289 -10.182 -7.589 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HXT . . . . . . . . . rr_6pqf 1
. 4 . 656 . 1 1 6 . N N 12.308 -6.612 -5.523 . . . 1.0 . . . . . . . . . . . . A . 6 IAS N . . . . . . . . . rr_6pqf 1
. 4 . 657 . 1 1 6 . O O 10.523 -8.800 -6.011 . . . 1.0 . . . . . . . . . . . . A . 6 IAS O . . . . . . . . . rr_6pqf 1
. 4 . 658 . 1 1 6 . OD1 O 13.152 -10.174 -3.930 . . . 1.0 . . . . . . . . . . . . A . 6 IAS OD1 . . . . . . . . . rr_6pqf 1
. 4 . 659 . 1 1 6 . OXT O 11.773 -9.384 -7.781 . . . 1.0 . . . . . . . . . . . . A . 6 IAS OXT . . . . . . . . . rr_6pqf 1
. 4 . 660 . 1 1 7 GLY C C 11.869 -8.006 -1.532 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . rr_6pqf 1
. 4 . 661 . 1 1 7 GLY CA C 13.304 -8.325 -1.901 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . rr_6pqf 1
. 4 . 662 . 1 1 7 GLY H H 13.862 -7.160 -3.579 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . rr_6pqf 1
. 4 . 663 . 1 1 7 GLY HA2 H 13.494 -9.369 -1.699 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . rr_6pqf 1
. 4 . 664 . 1 1 7 GLY HA3 H 13.963 -7.725 -1.291 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . rr_6pqf 1
. 4 . 665 . 1 1 7 GLY N N 13.590 -8.059 -3.299 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . rr_6pqf 1
. 4 . 666 . 1 1 7 GLY O O 11.571 -7.701 -0.377 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . rr_6pqf 1
. 4 . 667 . 1 1 8 CYS C C 8.800 -9.064 -1.952 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . rr_6pqf 1
. 4 . 668 . 1 1 8 CYS CA C 9.566 -7.788 -2.289 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . rr_6pqf 1
. 4 . 669 . 1 1 8 CYS CB C 8.955 -7.124 -3.524 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . rr_6pqf 1
. 4 . 670 . 1 1 8 CYS H H 11.277 -8.323 -3.416 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . rr_6pqf 1
. 4 . 671 . 1 1 8 CYS HA H 9.495 -7.108 -1.453 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . rr_6pqf 1
. 4 . 672 . 1 1 8 CYS HB2 H 9.726 -6.577 -4.048 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . rr_6pqf 1
. 4 . 673 . 1 1 8 CYS HB3 H 8.558 -7.888 -4.176 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . rr_6pqf 1
. 4 . 674 . 1 1 8 CYS N N 10.978 -8.074 -2.515 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . rr_6pqf 1
. 4 . 675 . 1 1 8 CYS O O 9.076 -10.129 -2.502 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . rr_6pqf 1
. 4 . 676 . 1 1 8 CYS SG S 7.606 -5.957 -3.151 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . rr_6pqf 1
. 4 . 677 . 1 1 9 ALA C C 6.197 -10.617 -1.800 . . . 1.0 . . . . . . . . . . . . A . 9 ALA C . . . . . . . . . rr_6pqf 1
. 4 . 678 . 1 1 9 ALA CA C 7.028 -10.088 -0.636 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CA . . . . . . . . . rr_6pqf 1
. 4 . 679 . 1 1 9 ALA CB C 6.127 -9.707 0.529 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CB . . . . . . . . . rr_6pqf 1
. 4 . 680 . 1 1 9 ALA H H 7.664 -8.070 -0.642 . . . 1.0 . . . . . . . . . . . . A . 9 ALA H . . . . . . . . . rr_6pqf 1
. 4 . 681 . 1 1 9 ALA HA H 7.697 -10.868 -0.301 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HA . . . . . . . . . rr_6pqf 1
. 4 . 682 . 1 1 9 ALA HB1 H 5.277 -9.152 0.159 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB1 . . . . . . . . . rr_6pqf 1
. 4 . 683 . 1 1 9 ALA HB2 H 5.784 -10.602 1.027 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB2 . . . . . . . . . rr_6pqf 1
. 4 . 684 . 1 1 9 ALA HB3 H 6.679 -9.096 1.227 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB3 . . . . . . . . . rr_6pqf 1
. 4 . 685 . 1 1 9 ALA N N 7.836 -8.946 -1.045 . . . 1.0 . . . . . . . . . . . . A . 9 ALA N . . . . . . . . . rr_6pqf 1
. 4 . 686 . 1 1 9 ALA O O 6.080 -9.967 -2.839 . . . 1.0 . . . . . . . . . . . . A . 9 ALA O . . . . . . . . . rr_6pqf 1
. 4 . 687 . 1 1 10 LYS C C 3.344 -12.513 -2.208 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_6pqf 1
. 4 . 688 . 1 1 10 LYS CA C 4.799 -12.418 -2.654 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_6pqf 1
. 4 . 689 . 1 1 10 LYS CB C 5.332 -13.812 -2.993 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_6pqf 1
. 4 . 690 . 1 1 10 LYS CD C 6.664 -13.699 -5.120 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_6pqf 1
. 4 . 691 . 1 1 10 LYS CE C 8.011 -13.302 -5.705 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_6pqf 1
. 4 . 692 . 1 1 10 LYS CG C 6.722 -13.800 -3.605 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_6pqf 1
. 4 . 693 . 1 1 10 LYS H H 5.751 -12.271 -0.769 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_6pqf 1
. 4 . 694 . 1 1 10 LYS HA H 4.854 -11.797 -3.535 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_6pqf 1
. 4 . 695 . 1 1 10 LYS HB2 H 5.364 -14.402 -2.089 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_6pqf 1
. 4 . 696 . 1 1 10 LYS HB3 H 4.657 -14.281 -3.694 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_6pqf 1
. 4 . 697 . 1 1 10 LYS HD2 H 6.377 -14.658 -5.525 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_6pqf 1
. 4 . 698 . 1 1 10 LYS HD3 H 5.928 -12.955 -5.394 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_6pqf 1
. 4 . 699 . 1 1 10 LYS HE2 H 8.122 -12.231 -5.624 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_6pqf 1
. 4 . 700 . 1 1 10 LYS HE3 H 8.791 -13.788 -5.139 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_6pqf 1
. 4 . 701 . 1 1 10 LYS HG2 H 7.268 -12.952 -3.219 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_6pqf 1
. 4 . 702 . 1 1 10 LYS HG3 H 7.233 -14.713 -3.334 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_6pqf 1
. 4 . 703 . 1 1 10 LYS HZ1 H 7.600 -13.032 -7.735 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . rr_6pqf 1
. 4 . 704 . 1 1 10 LYS HZ2 H 7.752 -14.653 -7.276 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . rr_6pqf 1
. 4 . 705 . 1 1 10 LYS HZ3 H 9.130 -13.684 -7.426 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_6pqf 1
. 4 . 706 . 1 1 10 LYS N N 5.621 -11.801 -1.620 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_6pqf 1
. 4 . 707 . 1 1 10 LYS NZ N 8.132 -13.695 -7.136 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_6pqf 1
. 4 . 708 . 1 1 10 LYS O O 2.964 -12.015 -1.148 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_6pqf 1
. 4 . 709 . 1 1 11 . C C 0.437 -11.941 -2.363 . . . 1.0 . . . . . . . . . . . . A . 11 DBB C . . . . . . . . . rr_6pqf 1
. 4 . 710 . 1 1 11 . CA C 1.122 -13.285 -2.664 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CA . . . . . . . . . rr_6pqf 1
. 4 . 711 . 1 1 11 . CB C 0.404 -14.048 -3.796 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CB . . . . . . . . . rr_6pqf 1
. 4 . 712 . 1 1 11 . CG C -1.010 -14.394 -3.360 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CG . . . . . . . . . rr_6pqf 1
. 4 . 713 . 1 1 11 . H H 2.865 -13.542 -3.859 . . . 1.0 . . . . . . . . . . . . A . 11 DBB H . . . . . . . . . rr_6pqf 1
. 4 . 714 . 1 1 11 . HA H 1.067 -13.894 -1.784 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HA . . . . . . . . . rr_6pqf 1
. 4 . 715 . 1 1 11 . HB2 H 0.936 -14.970 -3.899 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HB2 . . . . . . . . . rr_6pqf 1
. 4 . 716 . 1 1 11 . HG1 H -1.559 -13.478 -3.201 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG1 . . . . . . . . . rr_6pqf 1
. 4 . 717 . 1 1 11 . HG2 H -0.977 -14.961 -2.442 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG2 . . . . . . . . . rr_6pqf 1
. 4 . 718 . 1 1 11 . HG3 H -1.492 -14.974 -4.130 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG3 . . . . . . . . . rr_6pqf 1
. 4 . 719 . 1 1 11 . N N 2.527 -13.156 -3.019 . . . 1.0 . . . . . . . . . . . . A . 11 DBB N . . . . . . . . . rr_6pqf 1
. 4 . 720 . 1 1 11 . O O 0.847 -10.931 -2.936 . . . 1.0 . . . . . . . . . . . . A . 11 DBB O . . . . . . . . . rr_6pqf 1
. 4 . 721 . 1 1 12 CYS C C -0.569 -9.832 -0.253 . . . 1.0 . . . . . . . . . . . . A . 12 CYS C . . . . . . . . . rr_6pqf 1
. 4 . 722 . 1 1 12 CYS CA C -1.336 -10.704 -1.243 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CA . . . . . . . . . rr_6pqf 1
. 4 . 723 . 1 1 12 CYS CB C -2.721 -11.035 -0.683 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CB . . . . . . . . . rr_6pqf 1
. 4 . 724 . 1 1 12 CYS H H -0.882 -12.767 -1.107 . . . 1.0 . . . . . . . . . . . . A . 12 CYS H . . . . . . . . . rr_6pqf 1
. 4 . 725 . 1 1 12 CYS HA H -1.452 -10.159 -2.168 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HA . . . . . . . . . rr_6pqf 1
. 4 . 726 . 1 1 12 CYS HB2 H -2.618 -11.357 0.343 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB2 . . . . . . . . . rr_6pqf 1
. 4 . 727 . 1 1 12 CYS HB3 H -3.335 -10.147 -0.716 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB3 . . . . . . . . . rr_6pqf 1
. 4 . 728 . 1 1 12 CYS N N -0.602 -11.930 -1.534 . . . 1.0 . . . . . . . . . . . . A . 12 CYS N . . . . . . . . . rr_6pqf 1
. 4 . 729 . 1 1 12 CYS O O -1.070 -9.511 0.825 . . . 1.0 . . . . . . . . . . . . A . 12 CYS O . . . . . . . . . rr_6pqf 1
. 4 . 730 . 1 1 12 CYS SG S -3.595 -12.351 -1.590 . . . 1.0 . . . . . . . . . . . . A . 12 CYS SG . . . . . . . . . rr_6pqf 1
. 4 . 731 . 1 1 13 ALA C C 2.038 -7.425 -0.545 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . rr_6pqf 1
. 4 . 732 . 1 1 13 ALA CA C 1.484 -8.618 0.228 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . rr_6pqf 1
. 4 . 733 . 1 1 13 ALA CB C 2.619 -9.438 0.822 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . rr_6pqf 1
. 4 . 734 . 1 1 13 ALA H H 0.993 -9.741 -1.497 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . rr_6pqf 1
. 4 . 735 . 1 1 13 ALA HA H 0.872 -8.254 1.041 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . rr_6pqf 1
. 4 . 736 . 1 1 13 ALA HB1 H 3.273 -9.773 0.029 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . rr_6pqf 1
. 4 . 737 . 1 1 13 ALA HB2 H 3.178 -8.829 1.517 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . rr_6pqf 1
. 4 . 738 . 1 1 13 ALA HB3 H 2.212 -10.294 1.339 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . rr_6pqf 1
. 4 . 739 . 1 1 13 ALA N N 0.649 -9.453 -0.626 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . rr_6pqf 1
. 4 . 740 . 1 1 13 ALA O O 2.169 -6.339 0.019 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . rr_6pqf 1
. 4 . 741 . 1 1 14 ALA C C 2.809 -7.170 -4.176 . . . 1.0 . . . . . . . . . . . . A . 14 ALA C . . . . . . . . . rr_6pqf 1
. 4 . 742 . 1 1 14 ALA CA C 2.888 -6.617 -2.684 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CA . . . . . . . . . rr_6pqf 1
. 4 . 743 . 1 1 14 ALA CB C 4.295 -6.257 -2.383 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CB . . . . . . . . . rr_6pqf 1
. 4 . 744 . 1 1 14 ALA H H 2.213 -8.544 -2.170 . . . 1.0 . . . . . . . . . . . . A . 14 ALA H . . . . . . . . . rr_6pqf 1
. 4 . 745 . 1 1 14 ALA HA H 2.233 -5.767 -2.676 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HA . . . . . . . . . rr_6pqf 1
. 4 . 746 . 1 1 14 ALA HB1 H 4.597 -6.699 -1.444 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB1 . . . . . . . . . rr_6pqf 1
. 4 . 747 . 1 1 14 ALA HB2 H 4.901 -6.665 -3.178 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB2 . . . . . . . . . rr_6pqf 1
. 4 . 748 . 1 1 14 ALA N N 2.352 -7.644 -1.808 . . . 1.0 . . . . . . . . . . . . A . 14 ALA N . . . . . . . . . rr_6pqf 1
. 4 . 749 . 1 1 14 ALA O O 2.457 -6.440 -5.102 . . . 1.0 . . . . . . . . . . . . A . 14 ALA O . . . . . . . . . rr_6pqf 1
. 4 . 750 . 1 1 15 SER C C 1.733 -9.278 -6.165 . . . 1.0 . . . . . . . . . . . . A . 15 SER C . . . . . . . . . rr_6pqf 1
. 4 . 751 . 1 1 15 SER CA C 3.160 -9.060 -5.670 . . . 1.0 . . . . . . . . . . . . A . 15 SER CA . . . . . . . . . rr_6pqf 1
. 4 . 752 . 1 1 15 SER CB C 3.908 -10.394 -5.631 . . . 1.0 . . . . . . . . . . . . A . 15 SER CB . . . . . . . . . rr_6pqf 1
. 4 . 753 . 1 1 15 SER H H 3.433 -8.971 -3.572 . . . 1.0 . . . . . . . . . . . . A . 15 SER H . . . . . . . . . rr_6pqf 1
. 4 . 754 . 1 1 15 SER HA H 3.666 -8.393 -6.351 . . . 1.0 . . . . . . . . . . . . A . 15 SER HA . . . . . . . . . rr_6pqf 1
. 4 . 755 . 1 1 15 SER HB2 H 4.931 -10.222 -5.335 . . . 1.0 . . . . . . . . . . . . A . 15 SER HB2 . . . . . . . . . rr_6pqf 1
. 4 . 756 . 1 1 15 SER HB3 H 3.431 -11.050 -4.916 . . . 1.0 . . . . . . . . . . . . A . 15 SER HB3 . . . . . . . . . rr_6pqf 1
. 4 . 757 . 1 1 15 SER HG H 4.518 -10.573 -7.484 . . . 1.0 . . . . . . . . . . . . A . 15 SER HG . . . . . . . . . rr_6pqf 1
. 4 . 758 . 1 1 15 SER N N 3.162 -8.440 -4.350 . . . 1.0 . . . . . . . . . . . . A . 15 SER N . . . . . . . . . rr_6pqf 1
. 4 . 759 . 1 1 15 SER O O 1.253 -8.564 -7.045 . . . 1.0 . . . . . . . . . . . . A . 15 SER O . . . . . . . . . rr_6pqf 1
. 4 . 760 . 1 1 15 SER OG O 3.900 -11.021 -6.902 . . . 1.0 . . . . . . . . . . . . A . 15 SER OG . . . . . . . . . rr_6pqf 1
. 4 . 761 . 1 1 16 CYS C C -1.286 -9.572 -5.384 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . rr_6pqf 1
. 4 . 762 . 1 1 16 CYS CA C -0.311 -10.586 -5.974 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . rr_6pqf 1
. 4 . 763 . 1 1 16 CYS CB C -0.681 -11.996 -5.509 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . rr_6pqf 1
. 4 . 764 . 1 1 16 CYS H H 1.497 -10.806 -4.896 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . rr_6pqf 1
. 4 . 765 . 1 1 16 CYS HA H -0.374 -10.544 -7.051 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . rr_6pqf 1
. 4 . 766 . 1 1 16 CYS HB2 H -0.887 -11.974 -4.449 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . rr_6pqf 1
. 4 . 767 . 1 1 16 CYS HB3 H -1.566 -12.320 -6.036 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . rr_6pqf 1
. 4 . 768 . 1 1 16 CYS N N 1.060 -10.271 -5.593 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . rr_6pqf 1
. 4 . 769 . 1 1 16 CYS O O -1.011 -8.957 -4.354 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . rr_6pqf 1
. 4 . 770 . 1 1 16 CYS SG S 0.620 -13.238 -5.793 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . rr_6pqf 1
. 4 . 771 . 1 1 17 ALA C C -4.676 -9.201 -5.069 . . . 1.0 . . . . . . . . . . . . A . 17 ALA C . . . . . . . . . rr_6pqf 1
. 4 . 772 . 1 1 17 ALA CA C -3.444 -8.465 -5.585 . . . 1.0 . . . . . . . . . . . . A . 17 ALA CA . . . . . . . . . rr_6pqf 1
. 4 . 773 . 1 1 17 ALA CB C -3.828 -7.511 -6.706 . . . 1.0 . . . . . . . . . . . . A . 17 ALA CB . . . . . . . . . rr_6pqf 1
. 4 . 774 . 1 1 17 ALA H H -2.589 -9.922 -6.860 . . . 1.0 . . . . . . . . . . . . A . 17 ALA H . . . . . . . . . rr_6pqf 1
. 4 . 775 . 1 1 17 ALA HA H -3.021 -7.882 -4.779 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HA . . . . . . . . . rr_6pqf 1
. 4 . 776 . 1 1 17 ALA HB1 H -2.953 -6.966 -7.030 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB1 . . . . . . . . . rr_6pqf 1
. 4 . 777 . 1 1 17 ALA HB2 H -4.229 -8.074 -7.536 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB2 . . . . . . . . . rr_6pqf 1
. 4 . 778 . 1 1 17 ALA HB3 H -4.573 -6.816 -6.348 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB3 . . . . . . . . . rr_6pqf 1
. 4 . 779 . 1 1 17 ALA N N -2.427 -9.402 -6.045 . . . 1.0 . . . . . . . . . . . . A . 17 ALA N . . . . . . . . . rr_6pqf 1
. 4 . 780 . 1 1 17 ALA O O -5.647 -9.360 -5.808 . . . 1.0 . . . . . . . . . . . . A . 17 ALA O . . . . . . . . . rr_6pqf 1
. 4 . 781 . 1 1 18 ALA C C -6.749 -9.263 -2.656 . . . 1.0 . . . . . . . . . . . . A . 18 ALA C . . . . . . . . . rr_6pqf 1
. 4 . 782 . 1 1 18 ALA CA C -5.704 -10.347 -3.177 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CA . . . . . . . . . rr_6pqf 1
. 4 . 783 . 1 1 18 ALA CB C -5.266 -11.177 -2.028 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CB . . . . . . . . . rr_6pqf 1
. 4 . 784 . 1 1 18 ALA H H -3.801 -9.458 -3.311 . . . 1.0 . . . . . . . . . . . . A . 18 ALA H . . . . . . . . . rr_6pqf 1
. 4 . 785 . 1 1 18 ALA HA H -6.245 -10.912 -3.913 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HA . . . . . . . . . rr_6pqf 1
. 4 . 786 . 1 1 18 ALA HB1 H -5.238 -10.579 -1.129 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB1 . . . . . . . . . rr_6pqf 1
. 4 . 787 . 1 1 18 ALA HB2 H -5.999 -11.962 -1.909 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB2 . . . . . . . . . rr_6pqf 1
. 4 . 788 . 1 1 18 ALA N N -4.618 -9.633 -3.824 . . . 1.0 . . . . . . . . . . . . A . 18 ALA N . . . . . . . . . rr_6pqf 1
. 4 . 789 . 1 1 18 ALA O O -7.960 -9.483 -2.695 . . . 1.0 . . . . . . . . . . . . A . 18 ALA O . . . . . . . . . rr_6pqf 1
. 4 . 790 . 1 1 19 SER C C -7.670 -6.236 -2.762 . . . 1.0 . . . . . . . . . . . . A . 19 SER C . . . . . . . . . rr_6pqf 1
. 4 . 791 . 1 1 19 SER CA C -7.080 -7.078 -1.635 . . . 1.0 . . . . . . . . . . . . A . 19 SER CA . . . . . . . . . rr_6pqf 1
. 4 . 792 . 1 1 19 SER CB C -6.279 -6.188 -0.683 . . . 1.0 . . . . . . . . . . . . A . 19 SER CB . . . . . . . . . rr_6pqf 1
. 4 . 793 . 1 1 19 SER H H -5.260 -8.022 -2.164 . . . 1.0 . . . . . . . . . . . . A . 19 SER H . . . . . . . . . rr_6pqf 1
. 4 . 794 . 1 1 19 SER HA H -7.887 -7.542 -1.087 . . . 1.0 . . . . . . . . . . . . A . 19 SER HA . . . . . . . . . rr_6pqf 1
. 4 . 795 . 1 1 19 SER HB2 H -6.276 -6.630 0.302 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB2 . . . . . . . . . rr_6pqf 1
. 4 . 796 . 1 1 19 SER HB3 H -5.264 -6.102 -1.042 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB3 . . . . . . . . . rr_6pqf 1
. 4 . 797 . 1 1 19 SER HG H -7.529 -4.883 0.074 . . . 1.0 . . . . . . . . . . . . A . 19 SER HG . . . . . . . . . rr_6pqf 1
. 4 . 798 . 1 1 19 SER N N -6.234 -8.139 -2.168 . . . 1.0 . . . . . . . . . . . . A . 19 SER N . . . . . . . . . rr_6pqf 1
. 4 . 799 . 1 1 19 SER O O -7.049 -6.060 -3.809 . . . 1.0 . . . . . . . . . . . . A . 19 SER O . . . . . . . . . rr_6pqf 1
. 4 . 800 . 1 1 19 SER OG O -6.845 -4.891 -0.600 . . . 1.0 . . . . . . . . . . . . A . 19 SER OG . . . . . . . . . rr_6pqf 1
. 5 . 801 . 1 1 1 ALA C C 3.556 -0.044 -1.441 . . . 1.0 . . . . . . . . . . . . A . 1 ALA C . . . . . . . . . rr_6pqf 1
. 5 . 802 . 1 1 1 ALA CA C 2.493 0.543 -2.363 . . . 1.0 . . . . . . . . . . . . A . 1 ALA CA . . . . . . . . . rr_6pqf 1
. 5 . 803 . 1 1 1 ALA CB C 1.170 -0.185 -2.177 . . . 1.0 . . . . . . . . . . . . A . 1 ALA CB . . . . . . . . . rr_6pqf 1
. 5 . 804 . 1 1 1 ALA H1 H 2.233 0.466 -4.462 . . . 1.0 . . . . . . . . . . . . A . 1 ALA H1 . . . . . . . . . rr_6pqf 1
. 5 . 805 . 1 1 1 ALA HA H 2.343 1.582 -2.107 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HA . . . . . . . . . rr_6pqf 1
. 5 . 806 . 1 1 1 ALA HB1 H 1.093 -0.981 -2.904 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB1 . . . . . . . . . rr_6pqf 1
. 5 . 807 . 1 1 1 ALA HB2 H 1.125 -0.600 -1.182 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB2 . . . . . . . . . rr_6pqf 1
. 5 . 808 . 1 1 1 ALA HB3 H 0.355 0.509 -2.316 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB3 . . . . . . . . . rr_6pqf 1
. 5 . 809 . 1 1 1 ALA N N 2.914 0.479 -3.757 . . . 1.0 . . . . . . . . . . . . A . 1 ALA N . . . . . . . . . rr_6pqf 1
. 5 . 810 . 1 1 1 ALA O O 4.162 0.669 -0.641 . . . 1.0 . . . . . . . . . . . . A . 1 ALA O . . . . . . . . . rr_6pqf 1
. 5 . 811 . 1 1 2 CYS C C 6.180 -1.577 -1.089 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_6pqf 1
. 5 . 812 . 1 1 2 CYS CA C 4.768 -2.033 -0.734 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_6pqf 1
. 5 . 813 . 1 1 2 CYS CB C 4.651 -3.548 -0.912 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_6pqf 1
. 5 . 814 . 1 1 2 CYS H H 3.264 -1.865 -2.214 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_6pqf 1
. 5 . 815 . 1 1 2 CYS HA H 4.571 -1.785 0.297 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_6pqf 1
. 5 . 816 . 1 1 2 CYS HB2 H 5.222 -4.039 -0.138 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_6pqf 1
. 5 . 817 . 1 1 2 CYS HB3 H 3.613 -3.834 -0.822 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_6pqf 1
. 5 . 818 . 1 1 2 CYS N N 3.779 -1.349 -1.558 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_6pqf 1
. 5 . 819 . 1 1 2 CYS O O 7.095 -1.659 -0.270 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_6pqf 1
. 5 . 820 . 1 1 2 CYS SG S 5.258 -4.158 -2.518 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_6pqf 1
. 5 . 821 . 1 1 3 GLY C C 8.170 -1.408 -3.952 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6pqf 1
. 5 . 822 . 1 1 3 GLY CA C 7.653 -0.631 -2.758 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6pqf 1
. 5 . 823 . 1 1 3 GLY H H 5.584 -1.052 -2.927 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6pqf 1
. 5 . 824 . 1 1 3 GLY HA2 H 7.580 0.413 -3.025 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6pqf 1
. 5 . 825 . 1 1 3 GLY HA3 H 8.354 -0.736 -1.943 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6pqf 1
. 5 . 826 . 1 1 3 GLY N N 6.350 -1.094 -2.316 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6pqf 1
. 5 . 827 . 1 1 3 GLY O O 8.615 -0.832 -4.945 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6pqf 1
. 5 . 828 . 1 1 4 . C C 10.127 -3.747 -4.952 . . . 1.0 . . . . . . . . . . . . A . 4 DBB C . . . . . . . . . rr_6pqf 1
. 5 . 829 . 1 1 4 . CA C 8.603 -3.535 -4.967 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CA . . . . . . . . . rr_6pqf 1
. 5 . 830 . 1 1 4 . CB C 7.841 -4.875 -4.955 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CB . . . . . . . . . rr_6pqf 1
. 5 . 831 . 1 1 4 . CG C 8.162 -5.656 -6.218 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CG . . . . . . . . . rr_6pqf 1
. 5 . 832 . 1 1 4 . H H 7.755 -3.150 -3.053 . . . 1.0 . . . . . . . . . . . . A . 4 DBB H . . . . . . . . . rr_6pqf 1
. 5 . 833 . 1 1 4 . HA H 8.345 -3.030 -5.876 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HA . . . . . . . . . rr_6pqf 1
. 5 . 834 . 1 1 4 . HB2 H 6.805 -4.615 -5.000 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HB2 . . . . . . . . . rr_6pqf 1
. 5 . 835 . 1 1 4 . HG1 H 9.205 -5.933 -6.202 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG1 . . . . . . . . . rr_6pqf 1
. 5 . 836 . 1 1 4 . HG2 H 7.965 -5.040 -7.083 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG2 . . . . . . . . . rr_6pqf 1
. 5 . 837 . 1 1 4 . HG3 H 7.553 -6.545 -6.257 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG3 . . . . . . . . . rr_6pqf 1
. 5 . 838 . 1 1 4 . N N 8.117 -2.723 -3.862 . . . 1.0 . . . . . . . . . . . . A . 4 DBB N . . . . . . . . . rr_6pqf 1
. 5 . 839 . 1 1 4 . O O 10.666 -4.051 -3.888 . . . 1.0 . . . . . . . . . . . . A . 4 DBB O . . . . . . . . . rr_6pqf 1
. 5 . 840 . 1 1 5 GLY C C 12.561 -5.221 -6.786 . . . 1.0 . . . . . . . . . . . . A . 5 GLY C . . . . . . . . . rr_6pqf 1
. 5 . 841 . 1 1 5 GLY CA C 12.224 -3.888 -6.148 . . . 1.0 . . . . . . . . . . . . A . 5 GLY CA . . . . . . . . . rr_6pqf 1
. 5 . 842 . 1 1 5 GLY H H 10.312 -3.398 -6.914 . . . 1.0 . . . . . . . . . . . . A . 5 GLY H . . . . . . . . . rr_6pqf 1
. 5 . 843 . 1 1 5 GLY HA2 H 12.693 -3.099 -6.716 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA2 . . . . . . . . . rr_6pqf 1
. 5 . 844 . 1 1 5 GLY HA3 H 12.615 -3.875 -5.141 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA3 . . . . . . . . . rr_6pqf 1
. 5 . 845 . 1 1 5 GLY N N 10.794 -3.643 -6.097 . . . 1.0 . . . . . . . . . . . . A . 5 GLY N . . . . . . . . . rr_6pqf 1
. 5 . 846 . 1 1 5 GLY O O 12.306 -5.496 -7.955 . . . 1.0 . . . . . . . . . . . . A . 5 GLY O . . . . . . . . . rr_6pqf 1
. 5 . 847 . 1 1 6 . C C 12.236 -8.382 -6.416 . . . 1.0 . . . . . . . . . . . . A . 6 IAS C . . . . . . . . . rr_6pqf 1
. 5 . 848 . 1 1 6 . CA C 13.442 -7.463 -6.488 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CA . . . . . . . . . rr_6pqf 1
. 5 . 849 . 1 1 6 . CB C 14.665 -8.119 -5.819 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CB . . . . . . . . . rr_6pqf 1
. 5 . 850 . 1 1 6 . CG C 14.591 -8.125 -4.298 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CG . . . . . . . . . rr_6pqf 1
. 5 . 851 . 1 1 6 . H H 13.383 -5.909 -5.049 . . . 1.0 . . . . . . . . . . . . A . 6 IAS H . . . . . . . . . rr_6pqf 1
. 5 . 852 . 1 1 6 . HA H 13.637 -7.382 -7.551 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HA . . . . . . . . . rr_6pqf 1
. 5 . 853 . 1 1 6 . HB2 H 15.538 -7.537 -6.074 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HB2 . . . . . . . . . rr_6pqf 1
. 5 . 854 . 1 1 6 . HB3 H 14.777 -9.121 -6.202 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HB3 . . . . . . . . . rr_6pqf 1
. 5 . 855 . 1 1 6 . HXT H 13.260 -9.705 -7.381 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HXT . . . . . . . . . rr_6pqf 1
. 5 . 856 . 1 1 6 . N N 13.172 -6.122 -5.999 . . . 1.0 . . . . . . . . . . . . A . 6 IAS N . . . . . . . . . rr_6pqf 1
. 5 . 857 . 1 1 6 . O O 11.146 -8.048 -6.027 . . . 1.0 . . . . . . . . . . . . A . 6 IAS O . . . . . . . . . rr_6pqf 1
. 5 . 858 . 1 1 6 . OD1 O 15.357 -7.448 -3.612 . . . 1.0 . . . . . . . . . . . . A . 6 IAS OD1 . . . . . . . . . rr_6pqf 1
. 5 . 859 . 1 1 6 . OXT O 12.560 -9.650 -6.713 . . . 1.0 . . . . . . . . . . . . A . 6 IAS OXT . . . . . . . . . rr_6pqf 1
. 5 . 860 . 1 1 7 GLY C C 12.057 -8.768 -1.901 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . rr_6pqf 1
. 5 . 861 . 1 1 7 GLY CA C 13.489 -9.010 -2.336 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . rr_6pqf 1
. 5 . 862 . 1 1 7 GLY H H 13.073 -9.428 -4.370 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . rr_6pqf 1
. 5 . 863 . 1 1 7 GLY HA2 H 13.789 -9.997 -2.017 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . rr_6pqf 1
. 5 . 864 . 1 1 7 GLY HA3 H 14.126 -8.279 -1.861 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . rr_6pqf 1
. 5 . 865 . 1 1 7 GLY N N 13.655 -8.911 -3.775 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . rr_6pqf 1
. 5 . 866 . 1 1 7 GLY O O 11.626 -9.263 -0.859 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . rr_6pqf 1
. 5 . 867 . 1 1 8 CYS C C 9.137 -8.968 -2.108 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . rr_6pqf 1
. 5 . 868 . 1 1 8 CYS CA C 9.928 -7.694 -2.389 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . rr_6pqf 1
. 5 . 869 . 1 1 8 CYS CB C 9.285 -6.926 -3.545 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . rr_6pqf 1
. 5 . 870 . 1 1 8 CYS H H 11.719 -7.638 -3.515 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . rr_6pqf 1
. 5 . 871 . 1 1 8 CYS HA H 9.915 -7.074 -1.505 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . rr_6pqf 1
. 5 . 872 . 1 1 8 CYS HB2 H 10.013 -6.247 -3.965 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . rr_6pqf 1
. 5 . 873 . 1 1 8 CYS HB3 H 8.976 -7.628 -4.305 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . rr_6pqf 1
. 5 . 874 . 1 1 8 CYS N N 11.319 -8.003 -2.698 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . rr_6pqf 1
. 5 . 875 . 1 1 8 CYS O O 9.532 -10.059 -2.518 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . rr_6pqf 1
. 5 . 876 . 1 1 8 CYS SG S 7.827 -5.946 -3.067 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . rr_6pqf 1
. 5 . 877 . 1 1 9 ALA C C 6.187 -10.259 -2.197 . . . 1.0 . . . . . . . . . . . . A . 9 ALA C . . . . . . . . . rr_6pqf 1
. 5 . 878 . 1 1 9 ALA CA C 7.170 -9.958 -1.072 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CA . . . . . . . . . rr_6pqf 1
. 5 . 879 . 1 1 9 ALA CB C 6.424 -9.696 0.228 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CB . . . . . . . . . rr_6pqf 1
. 5 . 880 . 1 1 9 ALA H H 7.756 -7.925 -1.107 . . . 1.0 . . . . . . . . . . . . A . 9 ALA H . . . . . . . . . rr_6pqf 1
. 5 . 881 . 1 1 9 ALA HA H 7.808 -10.818 -0.925 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HA . . . . . . . . . rr_6pqf 1
. 5 . 882 . 1 1 9 ALA HB1 H 5.756 -8.857 0.096 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB1 . . . . . . . . . rr_6pqf 1
. 5 . 883 . 1 1 9 ALA HB2 H 5.853 -10.572 0.498 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB2 . . . . . . . . . rr_6pqf 1
. 5 . 884 . 1 1 9 ALA HB3 H 7.133 -9.473 1.011 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB3 . . . . . . . . . rr_6pqf 1
. 5 . 885 . 1 1 9 ALA N N 8.018 -8.821 -1.406 . . . 1.0 . . . . . . . . . . . . A . 9 ALA N . . . . . . . . . rr_6pqf 1
. 5 . 886 . 1 1 9 ALA O O 5.857 -9.384 -2.999 . . . 1.0 . . . . . . . . . . . . A . 9 ALA O . . . . . . . . . rr_6pqf 1
. 5 . 887 . 1 1 10 LYS C C 3.385 -12.131 -2.687 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_6pqf 1
. 5 . 888 . 1 1 10 LYS CA C 4.774 -11.919 -3.281 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_6pqf 1
. 5 . 889 . 1 1 10 LYS CB C 5.255 -13.207 -3.953 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_6pqf 1
. 5 . 890 . 1 1 10 LYS CD C 6.952 -14.233 -5.495 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_6pqf 1
. 5 . 891 . 1 1 10 LYS CE C 7.493 -15.470 -4.793 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_6pqf 1
. 5 . 892 . 1 1 10 LYS CG C 6.666 -13.114 -4.508 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_6pqf 1
. 5 . 893 . 1 1 10 LYS H H 6.021 -12.155 -1.586 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_6pqf 1
. 5 . 894 . 1 1 10 LYS HA H 4.720 -11.135 -4.021 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_6pqf 1
. 5 . 895 . 1 1 10 LYS HB2 H 5.227 -14.009 -3.230 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_6pqf 1
. 5 . 896 . 1 1 10 LYS HB3 H 4.585 -13.445 -4.768 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_6pqf 1
. 5 . 897 . 1 1 10 LYS HD2 H 6.038 -14.494 -6.006 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_6pqf 1
. 5 . 898 . 1 1 10 LYS HD3 H 7.683 -13.890 -6.213 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_6pqf 1
. 5 . 899 . 1 1 10 LYS HE2 H 8.564 -15.375 -4.698 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_6pqf 1
. 5 . 900 . 1 1 10 LYS HE3 H 7.049 -15.532 -3.810 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_6pqf 1
. 5 . 901 . 1 1 10 LYS HG2 H 6.783 -12.166 -5.012 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_6pqf 1
. 5 . 902 . 1 1 10 LYS HG3 H 7.369 -13.178 -3.690 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_6pqf 1
. 5 . 903 . 1 1 10 LYS HZ1 H 6.337 -17.173 -5.145 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . rr_6pqf 1
. 5 . 904 . 1 1 10 LYS HZ2 H 7.980 -17.378 -5.488 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . rr_6pqf 1
. 5 . 905 . 1 1 10 LYS HZ3 H 7.000 -16.494 -6.546 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_6pqf 1
. 5 . 906 . 1 1 10 LYS N N 5.721 -11.502 -2.253 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_6pqf 1
. 5 . 907 . 1 1 10 LYS NZ N 7.181 -16.716 -5.546 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_6pqf 1
. 5 . 908 . 1 1 10 LYS O O 3.122 -11.790 -1.533 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_6pqf 1
. 5 . 909 . 1 1 11 . C C 0.446 -11.654 -2.479 . . . 1.0 . . . . . . . . . . . . A . 11 DBB C . . . . . . . . . rr_6pqf 1
. 5 . 910 . 1 1 11 . CA C 1.146 -12.929 -2.983 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CA . . . . . . . . . rr_6pqf 1
. 5 . 911 . 1 1 11 . CB C 0.334 -13.621 -4.096 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CB . . . . . . . . . rr_6pqf 1
. 5 . 912 . 1 1 11 . CG C -1.007 -14.076 -3.543 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CG . . . . . . . . . rr_6pqf 1
. 5 . 913 . 1 1 11 . H H 2.739 -12.957 -4.394 . . . 1.0 . . . . . . . . . . . . A . 11 DBB H . . . . . . . . . rr_6pqf 1
. 5 . 914 . 1 1 11 . HA H 1.216 -13.618 -2.165 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HA . . . . . . . . . rr_6pqf 1
. 5 . 915 . 1 1 11 . HB2 H 0.886 -14.501 -4.347 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HB2 . . . . . . . . . rr_6pqf 1
. 5 . 916 . 1 1 11 . HG1 H -0.836 -14.654 -2.648 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG1 . . . . . . . . . rr_6pqf 1
. 5 . 917 . 1 1 11 . HG2 H -1.513 -14.685 -4.277 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG2 . . . . . . . . . rr_6pqf 1
. 5 . 918 . 1 1 11 . HG3 H -1.610 -13.214 -3.307 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG3 . . . . . . . . . rr_6pqf 1
. 5 . 919 . 1 1 11 . N N 2.494 -12.698 -3.477 . . . 1.0 . . . . . . . . . . . . A . 11 DBB N . . . . . . . . . rr_6pqf 1
. 5 . 920 . 1 1 11 . O O 0.749 -10.576 -2.992 . . . 1.0 . . . . . . . . . . . . A . 11 DBB O . . . . . . . . . rr_6pqf 1
. 5 . 921 . 1 1 12 CYS C C -0.394 -9.799 -0.082 . . . 1.0 . . . . . . . . . . . . A . 12 CYS C . . . . . . . . . rr_6pqf 1
. 5 . 922 . 1 1 12 CYS CA C -1.236 -10.616 -1.058 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CA . . . . . . . . . rr_6pqf 1
. 5 . 923 . 1 1 12 CYS CB C -2.531 -11.067 -0.379 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CB . . . . . . . . . rr_6pqf 1
. 5 . 924 . 1 1 12 CYS H H -0.688 -12.658 -1.173 . . . 1.0 . . . . . . . . . . . . A . 12 CYS H . . . . . . . . . rr_6pqf 1
. 5 . 925 . 1 1 12 CYS HA H -1.481 -9.998 -1.907 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HA . . . . . . . . . rr_6pqf 1
. 5 . 926 . 1 1 12 CYS HB2 H -2.299 -11.443 0.607 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB2 . . . . . . . . . rr_6pqf 1
. 5 . 927 . 1 1 12 CYS HB3 H -3.194 -10.220 -0.289 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB3 . . . . . . . . . rr_6pqf 1
. 5 . 928 . 1 1 12 CYS N N -0.491 -11.772 -1.545 . . . 1.0 . . . . . . . . . . . . A . 12 CYS N . . . . . . . . . rr_6pqf 1
. 5 . 929 . 1 1 12 CYS O O -0.780 -9.599 1.070 . . . 1.0 . . . . . . . . . . . . A . 12 CYS O . . . . . . . . . rr_6pqf 1
. 5 . 930 . 1 1 12 CYS SG S -3.423 -12.378 -1.275 . . . 1.0 . . . . . . . . . . . . A . 12 CYS SG . . . . . . . . . rr_6pqf 1
. 5 . 931 . 1 1 13 ALA C C 2.095 -7.268 -0.449 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . rr_6pqf 1
. 5 . 932 . 1 1 13 ALA CA C 1.652 -8.533 0.279 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . rr_6pqf 1
. 5 . 933 . 1 1 13 ALA CB C 2.862 -9.357 0.693 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . rr_6pqf 1
. 5 . 934 . 1 1 13 ALA H H 1.010 -9.523 -1.478 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . rr_6pqf 1
. 5 . 935 . 1 1 13 ALA HA H 1.116 -8.252 1.174 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . rr_6pqf 1
. 5 . 936 . 1 1 13 ALA HB1 H 2.549 -10.142 1.367 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . rr_6pqf 1
. 5 . 937 . 1 1 13 ALA HB2 H 3.316 -9.795 -0.184 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . rr_6pqf 1
. 5 . 938 . 1 1 13 ALA HB3 H 3.578 -8.720 1.190 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . rr_6pqf 1
. 5 . 939 . 1 1 13 ALA N N 0.757 -9.330 -0.551 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . rr_6pqf 1
. 5 . 940 . 1 1 13 ALA O O 2.258 -6.225 0.183 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . rr_6pqf 1
. 5 . 941 . 1 1 14 ALA C C 2.437 -6.696 -4.107 . . . 1.0 . . . . . . . . . . . . A . 14 ALA C . . . . . . . . . rr_6pqf 1
. 5 . 942 . 1 1 14 ALA CA C 2.699 -6.273 -2.593 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CA . . . . . . . . . rr_6pqf 1
. 5 . 943 . 1 1 14 ALA CB C 4.131 -5.919 -2.438 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CB . . . . . . . . . rr_6pqf 1
. 5 . 944 . 1 1 14 ALA H H 2.127 -8.254 -2.167 . . . 1.0 . . . . . . . . . . . . A . 14 ALA H . . . . . . . . . rr_6pqf 1
. 5 . 945 . 1 1 14 ALA HA H 2.046 -5.437 -2.429 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HA . . . . . . . . . rr_6pqf 1
. 5 . 946 . 1 1 14 ALA HB1 H 4.492 -6.248 -1.474 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB1 . . . . . . . . . rr_6pqf 1
. 5 . 947 . 1 1 14 ALA HB2 H 4.670 -6.441 -3.215 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB2 . . . . . . . . . rr_6pqf 1
. 5 . 948 . 1 1 14 ALA N N 2.282 -7.380 -1.751 . . . 1.0 . . . . . . . . . . . . A . 14 ALA N . . . . . . . . . rr_6pqf 1
. 5 . 949 . 1 1 14 ALA O O 1.896 -5.920 -4.894 . . . 1.0 . . . . . . . . . . . . A . 14 ALA O . . . . . . . . . rr_6pqf 1
. 5 . 950 . 1 1 15 SER C C 1.225 -8.629 -6.151 . . . 1.0 . . . . . . . . . . . . A . 15 SER C . . . . . . . . . rr_6pqf 1
. 5 . 951 . 1 1 15 SER CA C 2.698 -8.407 -5.818 . . . 1.0 . . . . . . . . . . . . A . 15 SER CA . . . . . . . . . rr_6pqf 1
. 5 . 952 . 1 1 15 SER CB C 3.476 -9.712 -5.999 . . . 1.0 . . . . . . . . . . . . A . 15 SER CB . . . . . . . . . rr_6pqf 1
. 5 . 953 . 1 1 15 SER H H 3.278 -8.481 -3.784 . . . 1.0 . . . . . . . . . . . . A . 15 SER H . . . . . . . . . rr_6pqf 1
. 5 . 954 . 1 1 15 SER HA H 3.098 -7.663 -6.491 . . . 1.0 . . . . . . . . . . . . A . 15 SER HA . . . . . . . . . rr_6pqf 1
. 5 . 955 . 1 1 15 SER HB2 H 4.528 -9.525 -5.844 . . . 1.0 . . . . . . . . . . . . A . 15 SER HB2 . . . . . . . . . rr_6pqf 1
. 5 . 956 . 1 1 15 SER HB3 H 3.129 -10.437 -5.277 . . . 1.0 . . . . . . . . . . . . A . 15 SER HB3 . . . . . . . . . rr_6pqf 1
. 5 . 957 . 1 1 15 SER HG H 2.968 -11.141 -7.239 . . . 1.0 . . . . . . . . . . . . A . 15 SER HG . . . . . . . . . rr_6pqf 1
. 5 . 958 . 1 1 15 SER N N 2.854 -7.909 -4.457 . . . 1.0 . . . . . . . . . . . . A . 15 SER N . . . . . . . . . rr_6pqf 1
. 5 . 959 . 1 1 15 SER O O 0.626 -7.868 -6.910 . . . 1.0 . . . . . . . . . . . . A . 15 SER O . . . . . . . . . rr_6pqf 1
. 5 . 960 . 1 1 15 SER OG O 3.292 -10.239 -7.301 . . . 1.0 . . . . . . . . . . . . A . 15 SER OG . . . . . . . . . rr_6pqf 1
. 5 . 961 . 1 1 16 CYS C C -1.667 -9.098 -4.988 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . rr_6pqf 1
. 5 . 962 . 1 1 16 CYS CA C -0.754 -10.004 -5.809 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . rr_6pqf 1
. 5 . 963 . 1 1 16 CYS CB C -1.024 -11.470 -5.461 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . rr_6pqf 1
. 5 . 964 . 1 1 16 CYS H H 1.178 -10.250 -4.979 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . rr_6pqf 1
. 5 . 965 . 1 1 16 CYS HA H -0.961 -9.848 -6.857 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . rr_6pqf 1
. 5 . 966 . 1 1 16 CYS HB2 H -1.112 -11.566 -4.389 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . rr_6pqf 1
. 5 . 967 . 1 1 16 CYS HB3 H -1.951 -11.776 -5.922 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . rr_6pqf 1
. 5 . 968 . 1 1 16 CYS N N 0.648 -9.679 -5.576 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . rr_6pqf 1
. 5 . 969 . 1 1 16 CYS O O -1.260 -8.558 -3.960 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . rr_6pqf 1
. 5 . 970 . 1 1 16 CYS SG S 0.278 -12.617 -6.015 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . rr_6pqf 1
. 5 . 971 . 1 1 17 ALA C C -5.022 -8.935 -4.201 . . . 1.0 . . . . . . . . . . . . A . 17 ALA C . . . . . . . . . rr_6pqf 1
. 5 . 972 . 1 1 17 ALA CA C -3.874 -8.100 -4.757 . . . 1.0 . . . . . . . . . . . . A . 17 ALA CA . . . . . . . . . rr_6pqf 1
. 5 . 973 . 1 1 17 ALA CB C -4.406 -7.025 -5.693 . . . 1.0 . . . . . . . . . . . . A . 17 ALA CB . . . . . . . . . rr_6pqf 1
. 5 . 974 . 1 1 17 ALA H H -3.168 -9.395 -6.275 . . . 1.0 . . . . . . . . . . . . A . 17 ALA H . . . . . . . . . rr_6pqf 1
. 5 . 975 . 1 1 17 ALA HA H -3.368 -7.610 -3.937 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HA . . . . . . . . . rr_6pqf 1
. 5 . 976 . 1 1 17 ALA HB1 H -3.914 -6.087 -5.481 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB1 . . . . . . . . . rr_6pqf 1
. 5 . 977 . 1 1 17 ALA HB2 H -4.211 -7.311 -6.716 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB2 . . . . . . . . . rr_6pqf 1
. 5 . 978 . 1 1 17 ALA HB3 H -5.470 -6.915 -5.546 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB3 . . . . . . . . . rr_6pqf 1
. 5 . 979 . 1 1 17 ALA N N -2.903 -8.938 -5.449 . . . 1.0 . . . . . . . . . . . . A . 17 ALA N . . . . . . . . . rr_6pqf 1
. 5 . 980 . 1 1 17 ALA O O -6.066 -9.043 -4.842 . . . 1.0 . . . . . . . . . . . . A . 17 ALA O . . . . . . . . . rr_6pqf 1
. 5 . 981 . 1 1 18 ALA C C -6.772 -9.357 -1.554 . . . 1.0 . . . . . . . . . . . . A . 18 ALA C . . . . . . . . . rr_6pqf 1
. 5 . 982 . 1 1 18 ALA CA C -5.801 -10.331 -2.358 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CA . . . . . . . . . rr_6pqf 1
. 5 . 983 . 1 1 18 ALA CB C -5.212 -11.307 -1.409 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CB . . . . . . . . . rr_6pqf 1
. 5 . 984 . 1 1 18 ALA H H -3.947 -9.364 -2.593 . . . 1.0 . . . . . . . . . . . . A . 18 ALA H . . . . . . . . . rr_6pqf 1
. 5 . 985 . 1 1 18 ALA HA H -6.432 -10.797 -3.091 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HA . . . . . . . . . rr_6pqf 1
. 5 . 986 . 1 1 18 ALA HB1 H -5.174 -10.881 -0.417 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB1 . . . . . . . . . rr_6pqf 1
. 5 . 987 . 1 1 18 ALA HB2 H -5.863 -12.169 -1.399 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB2 . . . . . . . . . rr_6pqf 1
. 5 . 988 . 1 1 18 ALA N N -4.812 -9.507 -3.030 . . . 1.0 . . . . . . . . . . . . A . 18 ALA N . . . . . . . . . rr_6pqf 1
. 5 . 989 . 1 1 18 ALA O O -6.376 -8.754 -0.556 . . . 1.0 . . . . . . . . . . . . A . 18 ALA O . . . . . . . . . rr_6pqf 1
. 5 . 990 . 1 1 19 SER C C -9.668 -9.044 -0.237 . . . 1.0 . . . . . . . . . . . . A . 19 SER C . . . . . . . . . rr_6pqf 1
. 5 . 991 . 1 1 19 SER CA C -8.982 -8.347 -1.408 . . . 1.0 . . . . . . . . . . . . A . 19 SER CA . . . . . . . . . rr_6pqf 1
. 5 . 992 . 1 1 19 SER CB C -10.027 -7.898 -2.431 . . . 1.0 . . . . . . . . . . . . A . 19 SER CB . . . . . . . . . rr_6pqf 1
. 5 . 993 . 1 1 19 SER H H -8.260 -9.735 -2.834 . . . 1.0 . . . . . . . . . . . . A . 19 SER H . . . . . . . . . rr_6pqf 1
. 5 . 994 . 1 1 19 SER HA H -8.457 -7.479 -1.038 . . . 1.0 . . . . . . . . . . . . A . 19 SER HA . . . . . . . . . rr_6pqf 1
. 5 . 995 . 1 1 19 SER HB2 H -10.590 -7.070 -2.028 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB2 . . . . . . . . . rr_6pqf 1
. 5 . 996 . 1 1 19 SER HB3 H -9.528 -7.586 -3.338 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB3 . . . . . . . . . rr_6pqf 1
. 5 . 997 . 1 1 19 SER HG H -11.467 -8.699 -3.491 . . . 1.0 . . . . . . . . . . . . A . 19 SER HG . . . . . . . . . rr_6pqf 1
. 5 . 998 . 1 1 19 SER N N -8.004 -9.227 -2.036 . . . 1.0 . . . . . . . . . . . . A . 19 SER N . . . . . . . . . rr_6pqf 1
. 5 . 999 . 1 1 19 SER O O -9.388 -8.749 0.924 . . . 1.0 . . . . . . . . . . . . A . 19 SER O . . . . . . . . . rr_6pqf 1
. 5 . 1000 . 1 1 19 SER OG O -10.923 -8.951 -2.741 . . . 1.0 . . . . . . . . . . . . A . 19 SER OG . . . . . . . . . rr_6pqf 1
. 6 . 1001 . 1 1 1 ALA C C 3.989 0.207 -1.438 . . . 1.0 . . . . . . . . . . . . A . 1 ALA C . . . . . . . . . rr_6pqf 1
. 6 . 1002 . 1 1 1 ALA CA C 2.979 1.101 -0.726 . . . 1.0 . . . . . . . . . . . . A . 1 ALA CA . . . . . . . . . rr_6pqf 1
. 6 . 1003 . 1 1 1 ALA CB C 1.608 0.970 -1.373 . . . 1.0 . . . . . . . . . . . . A . 1 ALA CB . . . . . . . . . rr_6pqf 1
. 6 . 1004 . 1 1 1 ALA H1 H 3.776 2.874 -1.562 . . . 1.0 . . . . . . . . . . . . A . 1 ALA H1 . . . . . . . . . rr_6pqf 1
. 6 . 1005 . 1 1 1 ALA HA H 2.896 0.785 0.304 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HA . . . . . . . . . rr_6pqf 1
. 6 . 1006 . 1 1 1 ALA HB1 H 0.844 1.203 -0.645 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB1 . . . . . . . . . rr_6pqf 1
. 6 . 1007 . 1 1 1 ALA HB2 H 1.535 1.656 -2.203 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB2 . . . . . . . . . rr_6pqf 1
. 6 . 1008 . 1 1 1 ALA HB3 H 1.472 -0.041 -1.726 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB3 . . . . . . . . . rr_6pqf 1
. 6 . 1009 . 1 1 1 ALA N N 3.412 2.493 -0.736 . . . 1.0 . . . . . . . . . . . . A . 1 ALA N . . . . . . . . . rr_6pqf 1
. 6 . 1010 . 1 1 1 ALA O O 5.002 0.683 -1.952 . . . 1.0 . . . . . . . . . . . . A . 1 ALA O . . . . . . . . . rr_6pqf 1
. 6 . 1011 . 1 1 2 CYS C C 4.663 -1.801 -3.614 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_6pqf 1
. 6 . 1012 . 1 1 2 CYS CA C 4.592 -2.053 -2.110 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_6pqf 1
. 6 . 1013 . 1 1 2 CYS CB C 4.109 -3.480 -1.844 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_6pqf 1
. 6 . 1014 . 1 1 2 CYS H H 2.885 -1.411 -1.036 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_6pqf 1
. 6 . 1015 . 1 1 2 CYS HA H 5.578 -1.932 -1.690 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_6pqf 1
. 6 . 1016 . 1 1 2 CYS HB2 H 3.502 -3.486 -0.950 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_6pqf 1
. 6 . 1017 . 1 1 2 CYS HB3 H 3.512 -3.813 -2.680 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_6pqf 1
. 6 . 1018 . 1 1 2 CYS N N 3.708 -1.091 -1.463 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_6pqf 1
. 6 . 1019 . 1 1 2 CYS O O 3.806 -1.125 -4.182 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_6pqf 1
. 6 . 1020 . 1 1 2 CYS SG S 5.453 -4.687 -1.606 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_6pqf 1
. 6 . 1021 . 1 1 3 GLY C C 7.068 -2.907 -6.223 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6pqf 1
. 6 . 1022 . 1 1 3 GLY CA C 5.856 -2.174 -5.683 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6pqf 1
. 6 . 1023 . 1 1 3 GLY H H 6.344 -2.879 -3.748 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6pqf 1
. 6 . 1024 . 1 1 3 GLY HA2 H 4.973 -2.542 -6.184 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6pqf 1
. 6 . 1025 . 1 1 3 GLY HA3 H 5.964 -1.120 -5.894 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6pqf 1
. 6 . 1026 . 1 1 3 GLY N N 5.691 -2.350 -4.252 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6pqf 1
. 6 . 1027 . 1 1 3 GLY O O 7.971 -2.306 -6.805 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6pqf 1
. 6 . 1028 . 1 1 4 . C C 9.590 -4.456 -6.014 . . . 1.0 . . . . . . . . . . . . A . 4 DBB C . . . . . . . . . rr_6pqf 1
. 6 . 1029 . 1 1 4 . CA C 8.232 -4.980 -6.514 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CA . . . . . . . . . rr_6pqf 1
. 6 . 1030 . 1 1 4 . CB C 8.016 -6.458 -6.130 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CB . . . . . . . . . rr_6pqf 1
. 6 . 1031 . 1 1 4 . CG C 9.068 -7.320 -6.808 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CG . . . . . . . . . rr_6pqf 1
. 6 . 1032 . 1 1 4 . H H 6.357 -4.659 -5.561 . . . 1.0 . . . . . . . . . . . . A . 4 DBB H . . . . . . . . . rr_6pqf 1
. 6 . 1033 . 1 1 4 . HA H 8.226 -4.925 -7.585 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HA . . . . . . . . . rr_6pqf 1
. 6 . 1034 . 1 1 4 . HB2 H 7.070 -6.726 -6.550 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HB2 . . . . . . . . . rr_6pqf 1
. 6 . 1035 . 1 1 4 . HG1 H 10.025 -7.129 -6.348 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG1 . . . . . . . . . rr_6pqf 1
. 6 . 1036 . 1 1 4 . HG2 H 9.115 -7.074 -7.858 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG2 . . . . . . . . . rr_6pqf 1
. 6 . 1037 . 1 1 4 . HG3 H 8.812 -8.361 -6.689 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG3 . . . . . . . . . rr_6pqf 1
. 6 . 1038 . 1 1 4 . N N 7.096 -4.211 -6.031 . . . 1.0 . . . . . . . . . . . . A . 4 DBB N . . . . . . . . . rr_6pqf 1
. 6 . 1039 . 1 1 4 . O O 10.441 -4.145 -6.846 . . . 1.0 . . . . . . . . . . . . A . 4 DBB O . . . . . . . . . rr_6pqf 1
. 6 . 1040 . 1 1 5 GLY C C 12.233 -4.477 -4.740 . . . 1.0 . . . . . . . . . . . . A . 5 GLY C . . . . . . . . . rr_6pqf 1
. 6 . 1041 . 1 1 5 GLY CA C 11.013 -3.771 -4.184 . . . 1.0 . . . . . . . . . . . . A . 5 GLY CA . . . . . . . . . rr_6pqf 1
. 6 . 1042 . 1 1 5 GLY H H 9.058 -4.578 -4.088 . . . 1.0 . . . . . . . . . . . . A . 5 GLY H . . . . . . . . . rr_6pqf 1
. 6 . 1043 . 1 1 5 GLY HA2 H 11.070 -2.722 -4.436 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA2 . . . . . . . . . rr_6pqf 1
. 6 . 1044 . 1 1 5 GLY HA3 H 11.013 -3.872 -3.108 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA3 . . . . . . . . . rr_6pqf 1
. 6 . 1045 . 1 1 5 GLY N N 9.772 -4.313 -4.705 . . . 1.0 . . . . . . . . . . . . A . 5 GLY N . . . . . . . . . rr_6pqf 1
. 6 . 1046 . 1 1 5 GLY O O 12.800 -4.135 -5.775 . . . 1.0 . . . . . . . . . . . . A . 5 GLY O . . . . . . . . . rr_6pqf 1
. 6 . 1047 . 1 1 6 . C C 13.342 -7.482 -5.422 . . . 1.0 . . . . . . . . . . . . A . 6 IAS C . . . . . . . . . rr_6pqf 1
. 6 . 1048 . 1 1 6 . CA C 13.790 -6.329 -4.541 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CA . . . . . . . . . rr_6pqf 1
. 6 . 1049 . 1 1 6 . CB C 14.735 -6.828 -3.433 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CB . . . . . . . . . rr_6pqf 1
. 6 . 1050 . 1 1 6 . CG C 14.020 -7.580 -2.319 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CG . . . . . . . . . rr_6pqf 1
. 6 . 1051 . 1 1 6 . H H 12.237 -5.811 -3.195 . . . 1.0 . . . . . . . . . . . . A . 6 IAS H . . . . . . . . . rr_6pqf 1
. 6 . 1052 . 1 1 6 . HA H 14.357 -5.703 -5.219 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HA . . . . . . . . . rr_6pqf 1
. 6 . 1053 . 1 1 6 . HB2 H 15.191 -5.966 -2.968 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HB2 . . . . . . . . . rr_6pqf 1
. 6 . 1054 . 1 1 6 . HB3 H 15.502 -7.442 -3.880 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HB3 . . . . . . . . . rr_6pqf 1
. 6 . 1055 . 1 1 6 . HXT H 12.653 -7.775 -7.201 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HXT . . . . . . . . . rr_6pqf 1
. 6 . 1056 . 1 1 6 . N N 12.690 -5.525 -4.036 . . . 1.0 . . . . . . . . . . . . A . 6 IAS N . . . . . . . . . rr_6pqf 1
. 6 . 1057 . 1 1 6 . O O 13.362 -8.640 -5.093 . . . 1.0 . . . . . . . . . . . . A . 6 IAS O . . . . . . . . . rr_6pqf 1
. 6 . 1058 . 1 1 6 . OD1 O 14.049 -8.808 -2.246 . . . 1.0 . . . . . . . . . . . . A . 6 IAS OD1 . . . . . . . . . rr_6pqf 1
. 6 . 1059 . 1 1 6 . OXT O 13.044 -7.070 -6.664 . . . 1.0 . . . . . . . . . . . . A . 6 IAS OXT . . . . . . . . . rr_6pqf 1
. 6 . 1060 . 1 1 7 GLY C C 11.143 -7.472 -0.596 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . rr_6pqf 1
. 6 . 1061 . 1 1 7 GLY CA C 12.636 -7.416 -0.343 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . rr_6pqf 1
. 6 . 1062 . 1 1 7 GLY H H 13.376 -5.845 -1.554 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . rr_6pqf 1
. 6 . 1063 . 1 1 7 GLY HA2 H 13.002 -8.419 -0.184 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . rr_6pqf 1
. 6 . 1064 . 1 1 7 GLY HA3 H 12.816 -6.833 0.549 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . rr_6pqf 1
. 6 . 1065 . 1 1 7 GLY N N 13.364 -6.819 -1.447 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . rr_6pqf 1
. 6 . 1066 . 1 1 7 GLY O O 10.342 -7.258 0.314 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . rr_6pqf 1
. 6 . 1067 . 1 1 8 CYS C C 8.824 -9.257 -2.011 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . rr_6pqf 1
. 6 . 1068 . 1 1 8 CYS CA C 9.358 -7.842 -2.210 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . rr_6pqf 1
. 6 . 1069 . 1 1 8 CYS CB C 9.169 -7.414 -3.667 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . rr_6pqf 1
. 6 . 1070 . 1 1 8 CYS H H 11.451 -7.921 -2.521 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . rr_6pqf 1
. 6 . 1071 . 1 1 8 CYS HA H 8.806 -7.169 -1.572 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . rr_6pqf 1
. 6 . 1072 . 1 1 8 CYS HB2 H 9.857 -6.612 -3.891 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . rr_6pqf 1
. 6 . 1073 . 1 1 8 CYS HB3 H 9.382 -8.254 -4.311 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . rr_6pqf 1
. 6 . 1074 . 1 1 8 CYS N N 10.765 -7.760 -1.838 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . rr_6pqf 1
. 6 . 1075 . 1 1 8 CYS O O 9.477 -10.235 -2.373 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . rr_6pqf 1
. 6 . 1076 . 1 1 8 CYS SG S 7.490 -6.826 -4.057 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . rr_6pqf 1
. 6 . 1077 . 1 1 9 ALA C C 6.144 -11.078 -2.367 . . . 1.0 . . . . . . . . . . . . A . 9 ALA C . . . . . . . . . rr_6pqf 1
. 6 . 1078 . 1 1 9 ALA CA C 7.009 -10.652 -1.186 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CA . . . . . . . . . rr_6pqf 1
. 6 . 1079 . 1 1 9 ALA CB C 6.179 -10.605 0.089 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CB . . . . . . . . . rr_6pqf 1
. 6 . 1080 . 1 1 9 ALA H H 7.160 -8.542 -1.165 . . . 1.0 . . . . . . . . . . . . A . 9 ALA H . . . . . . . . . rr_6pqf 1
. 6 . 1081 . 1 1 9 ALA HA H 7.795 -11.380 -1.047 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HA . . . . . . . . . rr_6pqf 1
. 6 . 1082 . 1 1 9 ALA HB1 H 5.635 -9.673 0.129 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB1 . . . . . . . . . rr_6pqf 1
. 6 . 1083 . 1 1 9 ALA HB2 H 5.482 -11.430 0.095 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB2 . . . . . . . . . rr_6pqf 1
. 6 . 1084 . 1 1 9 ALA HB3 H 6.832 -10.678 0.946 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB3 . . . . . . . . . rr_6pqf 1
. 6 . 1085 . 1 1 9 ALA N N 7.632 -9.358 -1.431 . . . 1.0 . . . . . . . . . . . . A . 9 ALA N . . . . . . . . . rr_6pqf 1
. 6 . 1086 . 1 1 9 ALA O O 6.044 -10.365 -3.366 . . . 1.0 . . . . . . . . . . . . A . 9 ALA O . . . . . . . . . rr_6pqf 1
. 6 . 1087 . 1 1 10 LYS C C 3.211 -12.840 -2.841 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_6pqf 1
. 6 . 1088 . 1 1 10 LYS CA C 4.662 -12.767 -3.304 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_6pqf 1
. 6 . 1089 . 1 1 10 LYS CB C 5.141 -14.154 -3.739 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_6pqf 1
. 6 . 1090 . 1 1 10 LYS CD C 5.767 -15.582 -5.709 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_6pqf 1
. 6 . 1091 . 1 1 10 LYS CE C 7.139 -15.071 -6.121 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_6pqf 1
. 6 . 1092 . 1 1 10 LYS CG C 4.881 -14.455 -5.205 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_6pqf 1
. 6 . 1093 . 1 1 10 LYS H H 5.639 -12.768 -1.426 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_6pqf 1
. 6 . 1094 . 1 1 10 LYS HA H 4.726 -12.094 -4.145 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_6pqf 1
. 6 . 1095 . 1 1 10 LYS HB2 H 6.203 -14.228 -3.561 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_6pqf 1
. 6 . 1096 . 1 1 10 LYS HB3 H 4.632 -14.900 -3.145 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_6pqf 1
. 6 . 1097 . 1 1 10 LYS HD2 H 5.889 -16.312 -4.922 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_6pqf 1
. 6 . 1098 . 1 1 10 LYS HD3 H 5.294 -16.046 -6.562 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_6pqf 1
. 6 . 1099 . 1 1 10 LYS HE2 H 7.604 -14.600 -5.269 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_6pqf 1
. 6 . 1100 . 1 1 10 LYS HE3 H 7.739 -15.909 -6.442 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_6pqf 1
. 6 . 1101 . 1 1 10 LYS HG2 H 3.847 -14.743 -5.327 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_6pqf 1
. 6 . 1102 . 1 1 10 LYS HG3 H 5.080 -13.566 -5.786 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_6pqf 1
. 6 . 1103 . 1 1 10 LYS HZ1 H 7.951 -14.052 -7.753 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . rr_6pqf 1
. 6 . 1104 . 1 1 10 LYS HZ2 H 6.850 -13.136 -6.854 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . rr_6pqf 1
. 6 . 1105 . 1 1 10 LYS HZ3 H 6.292 -14.351 -7.890 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_6pqf 1
. 6 . 1106 . 1 1 10 LYS N N 5.520 -12.245 -2.247 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_6pqf 1
. 6 . 1107 . 1 1 10 LYS NZ N 7.052 -14.084 -7.233 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_6pqf 1
. 6 . 1108 . 1 1 10 LYS O O 2.903 -12.652 -1.664 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_6pqf 1
. 6 . 1109 . 1 1 11 . C C 0.345 -11.889 -2.829 . . . 1.0 . . . . . . . . . . . . A . 11 DBB C . . . . . . . . . rr_6pqf 1
. 6 . 1110 . 1 1 11 . CA C 0.911 -13.199 -3.405 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CA . . . . . . . . . rr_6pqf 1
. 6 . 1111 . 1 1 11 . CB C 0.116 -13.667 -4.641 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CB . . . . . . . . . rr_6pqf 1
. 6 . 1112 . 1 1 11 . CG C -1.317 -13.976 -4.240 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CG . . . . . . . . . rr_6pqf 1
. 6 . 1113 . 1 1 11 . H H 2.598 -13.261 -4.701 . . . 1.0 . . . . . . . . . . . . A . 11 DBB H . . . . . . . . . rr_6pqf 1
. 6 . 1114 . 1 1 11 . HA H 0.815 -13.962 -2.658 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HA . . . . . . . . . rr_6pqf 1
. 6 . 1115 . 1 1 11 . HB2 H 0.567 -14.590 -4.937 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HB2 . . . . . . . . . rr_6pqf 1
. 6 . 1116 . 1 1 11 . HG1 H -1.815 -14.456 -5.069 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG1 . . . . . . . . . rr_6pqf 1
. 6 . 1117 . 1 1 11 . HG2 H -1.828 -13.058 -3.992 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG2 . . . . . . . . . rr_6pqf 1
. 6 . 1118 . 1 1 11 . HG3 H -1.317 -14.636 -3.387 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG3 . . . . . . . . . rr_6pqf 1
. 6 . 1119 . 1 1 11 . N N 2.316 -13.116 -3.769 . . . 1.0 . . . . . . . . . . . . A . 11 DBB N . . . . . . . . . rr_6pqf 1
. 6 . 1120 . 1 1 11 . O O 0.744 -10.822 -3.296 . . . 1.0 . . . . . . . . . . . . A . 11 DBB O . . . . . . . . . rr_6pqf 1
. 6 . 1121 . 1 1 12 CYS C C -0.280 -10.080 -0.334 . . . 1.0 . . . . . . . . . . . . A . 12 CYS C . . . . . . . . . rr_6pqf 1
. 6 . 1122 . 1 1 12 CYS CA C -1.211 -10.765 -1.332 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CA . . . . . . . . . rr_6pqf 1
. 6 . 1123 . 1 1 12 CYS CB C -2.533 -11.122 -0.650 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CB . . . . . . . . . rr_6pqf 1
. 6 . 1124 . 1 1 12 CYS H H -0.866 -12.842 -1.553 . . . 1.0 . . . . . . . . . . . . A . 12 CYS H . . . . . . . . . rr_6pqf 1
. 6 . 1125 . 1 1 12 CYS HA H -1.407 -10.085 -2.147 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HA . . . . . . . . . rr_6pqf 1
. 6 . 1126 . 1 1 12 CYS HB2 H -2.325 -11.563 0.314 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB2 . . . . . . . . . rr_6pqf 1
. 6 . 1127 . 1 1 12 CYS HB3 H -3.112 -10.221 -0.511 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB3 . . . . . . . . . rr_6pqf 1
. 6 . 1128 . 1 1 12 CYS N N -0.588 -11.961 -1.885 . . . 1.0 . . . . . . . . . . . . A . 12 CYS N . . . . . . . . . rr_6pqf 1
. 6 . 1129 . 1 1 12 CYS O O -0.627 -9.903 0.833 . . . 1.0 . . . . . . . . . . . . A . 12 CYS O . . . . . . . . . rr_6pqf 1
. 6 . 1130 . 1 1 12 CYS SG S -3.558 -12.300 -1.587 . . . 1.0 . . . . . . . . . . . . A . 12 CYS SG . . . . . . . . . rr_6pqf 1
. 6 . 1131 . 1 1 13 ALA C C 2.370 -7.734 -0.594 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . rr_6pqf 1
. 6 . 1132 . 1 1 13 ALA CA C 1.881 -9.029 0.045 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . rr_6pqf 1
. 6 . 1133 . 1 1 13 ALA CB C 3.054 -9.956 0.327 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . rr_6pqf 1
. 6 . 1134 . 1 1 13 ALA H H 1.121 -9.865 -1.744 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . rr_6pqf 1
. 6 . 1135 . 1 1 13 ALA HA H 1.404 -8.796 0.986 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . rr_6pqf 1
. 6 . 1136 . 1 1 13 ALA HB1 H 3.559 -10.188 -0.600 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . rr_6pqf 1
. 6 . 1137 . 1 1 13 ALA HB2 H 3.743 -9.469 1.001 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . rr_6pqf 1
. 6 . 1138 . 1 1 13 ALA HB3 H 2.692 -10.868 0.778 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . rr_6pqf 1
. 6 . 1139 . 1 1 13 ALA N N 0.902 -9.696 -0.804 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . rr_6pqf 1
. 6 . 1140 . 1 1 13 ALA O O 2.619 -6.759 0.114 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . rr_6pqf 1
. 6 . 1141 . 1 1 14 ALA C C 2.716 -6.923 -4.214 . . . 1.0 . . . . . . . . . . . . A . 14 ALA C . . . . . . . . . rr_6pqf 1
. 6 . 1142 . 1 1 14 ALA CA C 2.946 -6.594 -2.672 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CA . . . . . . . . . rr_6pqf 1
. 6 . 1143 . 1 1 14 ALA CB C 4.378 -6.267 -2.464 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CB . . . . . . . . . rr_6pqf 1
. 6 . 1144 . 1 1 14 ALA H H 2.274 -8.568 -2.388 . . . 1.0 . . . . . . . . . . . . A . 14 ALA H . . . . . . . . . rr_6pqf 1
. 6 . 1145 . 1 1 14 ALA HA H 2.299 -5.761 -2.474 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HA . . . . . . . . . rr_6pqf 1
. 6 . 1146 . 1 1 14 ALA HB1 H 4.860 -7.055 -1.903 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB1 . . . . . . . . . rr_6pqf 1
. 6 . 1147 . 1 1 14 ALA HB2 H 4.831 -6.200 -3.442 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB2 . . . . . . . . . rr_6pqf 1
. 6 . 1148 . 1 1 14 ALA N N 2.497 -7.744 -1.907 . . . 1.0 . . . . . . . . . . . . A . 14 ALA N . . . . . . . . . rr_6pqf 1
. 6 . 1149 . 1 1 14 ALA O O 2.163 -6.112 -4.957 . . . 1.0 . . . . . . . . . . . . A . 14 ALA O . . . . . . . . . rr_6pqf 1
. 6 . 1150 . 1 1 15 SER C C 1.581 -8.627 -6.434 . . . 1.0 . . . . . . . . . . . . A . 15 SER C . . . . . . . . . rr_6pqf 1
. 6 . 1151 . 1 1 15 SER CA C 3.048 -8.509 -6.031 . . . 1.0 . . . . . . . . . . . . A . 15 SER CA . . . . . . . . . rr_6pqf 1
. 6 . 1152 . 1 1 15 SER CB C 3.759 -9.845 -6.256 . . . 1.0 . . . . . . . . . . . . A . 15 SER CB . . . . . . . . . rr_6pqf 1
. 6 . 1153 . 1 1 15 SER H H 3.604 -8.701 -3.997 . . . 1.0 . . . . . . . . . . . . A . 15 SER H . . . . . . . . . rr_6pqf 1
. 6 . 1154 . 1 1 15 SER HA H 3.518 -7.753 -6.643 . . . 1.0 . . . . . . . . . . . . A . 15 SER HA . . . . . . . . . rr_6pqf 1
. 6 . 1155 . 1 1 15 SER HB2 H 3.603 -10.166 -7.274 . . . 1.0 . . . . . . . . . . . . A . 15 SER HB2 . . . . . . . . . rr_6pqf 1
. 6 . 1156 . 1 1 15 SER HB3 H 4.817 -9.721 -6.076 . . . 1.0 . . . . . . . . . . . . A . 15 SER HB3 . . . . . . . . . rr_6pqf 1
. 6 . 1157 . 1 1 15 SER HG H 3.429 -10.583 -4.471 . . . 1.0 . . . . . . . . . . . . A . 15 SER HG . . . . . . . . . rr_6pqf 1
. 6 . 1158 . 1 1 15 SER N N 3.172 -8.098 -4.637 . . . 1.0 . . . . . . . . . . . . A . 15 SER N . . . . . . . . . rr_6pqf 1
. 6 . 1159 . 1 1 15 SER O O 1.092 -7.867 -7.271 . . . 1.0 . . . . . . . . . . . . A . 15 SER O . . . . . . . . . rr_6pqf 1
. 6 . 1160 . 1 1 15 SER OG O 3.261 -10.842 -5.380 . . . 1.0 . . . . . . . . . . . . A . 15 SER OG . . . . . . . . . rr_6pqf 1
. 6 . 1161 . 1 1 16 CYS C C -1.408 -8.886 -5.286 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . rr_6pqf 1
. 6 . 1162 . 1 1 16 CYS CA C -0.527 -9.805 -6.128 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . rr_6pqf 1
. 6 . 1163 . 1 1 16 CYS CB C -0.902 -11.266 -5.871 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . rr_6pqf 1
. 6 . 1164 . 1 1 16 CYS H H 1.329 -10.160 -5.174 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . rr_6pqf 1
. 6 . 1165 . 1 1 16 CYS HA H -0.687 -9.580 -7.172 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . rr_6pqf 1
. 6 . 1166 . 1 1 16 CYS HB2 H -1.045 -11.411 -4.810 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . rr_6pqf 1
. 6 . 1167 . 1 1 16 CYS HB3 H -1.823 -11.489 -6.388 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . rr_6pqf 1
. 6 . 1168 . 1 1 16 CYS N N 0.884 -9.585 -5.833 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . rr_6pqf 1
. 6 . 1169 . 1 1 16 CYS O O -0.979 -8.373 -4.254 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . rr_6pqf 1
. 6 . 1170 . 1 1 16 CYS SG S 0.353 -12.464 -6.428 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . rr_6pqf 1
. 6 . 1171 . 1 1 17 ALA C C -4.790 -8.629 -4.538 . . . 1.0 . . . . . . . . . . . . A . 17 ALA C . . . . . . . . . rr_6pqf 1
. 6 . 1172 . 1 1 17 ALA CA C -3.585 -7.831 -5.024 . . . 1.0 . . . . . . . . . . . . A . 17 ALA CA . . . . . . . . . rr_6pqf 1
. 6 . 1173 . 1 1 17 ALA CB C -4.034 -6.683 -5.915 . . . 1.0 . . . . . . . . . . . . A . 17 ALA CB . . . . . . . . . rr_6pqf 1
. 6 . 1174 . 1 1 17 ALA H H -2.926 -9.122 -6.566 . . . 1.0 . . . . . . . . . . . . A . 17 ALA H . . . . . . . . . rr_6pqf 1
. 6 . 1175 . 1 1 17 ALA HA H -3.075 -7.412 -4.168 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HA . . . . . . . . . rr_6pqf 1
. 6 . 1176 . 1 1 17 ALA HB1 H -4.662 -6.011 -5.347 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB1 . . . . . . . . . rr_6pqf 1
. 6 . 1177 . 1 1 17 ALA HB2 H -3.169 -6.147 -6.276 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB2 . . . . . . . . . rr_6pqf 1
. 6 . 1178 . 1 1 17 ALA HB3 H -4.591 -7.074 -6.753 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB3 . . . . . . . . . rr_6pqf 1
. 6 . 1179 . 1 1 17 ALA N N -2.642 -8.685 -5.736 . . . 1.0 . . . . . . . . . . . . A . 17 ALA N . . . . . . . . . rr_6pqf 1
. 6 . 1180 . 1 1 17 ALA O O -5.821 -8.648 -5.209 . . . 1.0 . . . . . . . . . . . . A . 17 ALA O . . . . . . . . . rr_6pqf 1
. 6 . 1181 . 1 1 18 ALA C C -6.727 -9.068 -2.104 . . . 1.0 . . . . . . . . . . . . A . 18 ALA C . . . . . . . . . rr_6pqf 1
. 6 . 1182 . 1 1 18 ALA CA C -5.692 -10.068 -2.788 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CA . . . . . . . . . rr_6pqf 1
. 6 . 1183 . 1 1 18 ALA CB C -5.195 -11.016 -1.759 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CB . . . . . . . . . rr_6pqf 1
. 6 . 1184 . 1 1 18 ALA H H -3.783 -9.193 -2.929 . . . 1.0 . . . . . . . . . . . . A . 18 ALA H . . . . . . . . . rr_6pqf 1
. 6 . 1185 . 1 1 18 ALA HA H -6.256 -10.556 -3.560 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HA . . . . . . . . . rr_6pqf 1
. 6 . 1186 . 1 1 18 ALA HB1 H -5.050 -10.500 -0.821 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB1 . . . . . . . . . rr_6pqf 1
. 6 . 1187 . 1 1 18 ALA HB2 H -5.955 -11.772 -1.634 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB2 . . . . . . . . . rr_6pqf 1
. 6 . 1188 . 1 1 18 ALA N N -4.643 -9.268 -3.393 . . . 1.0 . . . . . . . . . . . . A . 18 ALA N . . . . . . . . . rr_6pqf 1
. 6 . 1189 . 1 1 18 ALA O O -7.940 -9.237 -2.223 . . . 1.0 . . . . . . . . . . . . A . 18 ALA O . . . . . . . . . rr_6pqf 1
. 6 . 1190 . 1 1 19 SER C C -6.473 -5.695 -0.845 . . . 1.0 . . . . . . . . . . . . A . 19 SER C . . . . . . . . . rr_6pqf 1
. 6 . 1191 . 1 1 19 SER CA C -7.038 -7.104 -0.699 . . . 1.0 . . . . . . . . . . . . A . 19 SER CA . . . . . . . . . rr_6pqf 1
. 6 . 1192 . 1 1 19 SER CB C -7.152 -7.470 0.782 . . . 1.0 . . . . . . . . . . . . A . 19 SER CB . . . . . . . . . rr_6pqf 1
. 6 . 1193 . 1 1 19 SER H H -5.225 -7.992 -1.339 . . . 1.0 . . . . . . . . . . . . A . 19 SER H . . . . . . . . . rr_6pqf 1
. 6 . 1194 . 1 1 19 SER HA H -8.020 -7.134 -1.146 . . . 1.0 . . . . . . . . . . . . A . 19 SER HA . . . . . . . . . rr_6pqf 1
. 6 . 1195 . 1 1 19 SER HB2 H -6.199 -7.833 1.135 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB2 . . . . . . . . . rr_6pqf 1
. 6 . 1196 . 1 1 19 SER HB3 H -7.435 -6.592 1.345 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB3 . . . . . . . . . rr_6pqf 1
. 6 . 1197 . 1 1 19 SER HG H -7.976 -8.905 1.830 . . . 1.0 . . . . . . . . . . . . A . 19 SER HG . . . . . . . . . rr_6pqf 1
. 6 . 1198 . 1 1 19 SER N N -6.200 -8.074 -1.396 . . . 1.0 . . . . . . . . . . . . A . 19 SER N . . . . . . . . . rr_6pqf 1
. 6 . 1199 . 1 1 19 SER O O -5.298 -5.455 -0.572 . . . 1.0 . . . . . . . . . . . . A . 19 SER O . . . . . . . . . rr_6pqf 1
. 6 . 1200 . 1 1 19 SER OG O -8.129 -8.476 0.985 . . . 1.0 . . . . . . . . . . . . A . 19 SER OG . . . . . . . . . rr_6pqf 1
. 7 . 1201 . 1 1 1 ALA C C 2.654 -2.333 -0.477 . . . 1.0 . . . . . . . . . . . . A . 1 ALA C . . . . . . . . . rr_6pqf 1
. 7 . 1202 . 1 1 1 ALA CA C 1.255 -2.930 -0.373 . . . 1.0 . . . . . . . . . . . . A . 1 ALA CA . . . . . . . . . rr_6pqf 1
. 7 . 1203 . 1 1 1 ALA CB C 0.572 -2.919 -1.733 . . . 1.0 . . . . . . . . . . . . A . 1 ALA CB . . . . . . . . . rr_6pqf 1
. 7 . 1204 . 1 1 1 ALA H1 H 0.556 -1.240 0.691 . . . 1.0 . . . . . . . . . . . . A . 1 ALA H1 . . . . . . . . . rr_6pqf 1
. 7 . 1205 . 1 1 1 ALA HA H 1.336 -3.957 -0.047 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HA . . . . . . . . . rr_6pqf 1
. 7 . 1206 . 1 1 1 ALA HB1 H 0.314 -1.903 -1.996 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB1 . . . . . . . . . rr_6pqf 1
. 7 . 1207 . 1 1 1 ALA HB2 H 1.242 -3.325 -2.475 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB2 . . . . . . . . . rr_6pqf 1
. 7 . 1208 . 1 1 1 ALA HB3 H -0.325 -3.519 -1.690 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB3 . . . . . . . . . rr_6pqf 1
. 7 . 1209 . 1 1 1 ALA N N 0.448 -2.210 0.604 . . . 1.0 . . . . . . . . . . . . A . 1 ALA N . . . . . . . . . rr_6pqf 1
. 7 . 1210 . 1 1 1 ALA O O 2.957 -1.320 0.155 . . . 1.0 . . . . . . . . . . . . A . 1 ALA O . . . . . . . . . rr_6pqf 1
. 7 . 1211 . 1 1 2 CYS C C 5.040 -1.831 -2.825 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_6pqf 1
. 7 . 1212 . 1 1 2 CYS CA C 4.873 -2.499 -1.463 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_6pqf 1
. 7 . 1213 . 1 1 2 CYS CB C 5.855 -3.665 -1.331 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_6pqf 1
. 7 . 1214 . 1 1 2 CYS H H 3.205 -3.769 -1.754 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_6pqf 1
. 7 . 1215 . 1 1 2 CYS HA H 5.084 -1.774 -0.692 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_6pqf 1
. 7 . 1216 . 1 1 2 CYS HB2 H 5.833 -4.249 -2.240 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_6pqf 1
. 7 . 1217 . 1 1 2 CYS HB3 H 6.851 -3.273 -1.186 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_6pqf 1
. 7 . 1218 . 1 1 2 CYS N N 3.505 -2.967 -1.277 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_6pqf 1
. 7 . 1219 . 1 1 2 CYS O O 5.479 -0.686 -2.917 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_6pqf 1
. 7 . 1220 . 1 1 2 CYS SG S 5.493 -4.789 0.056 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_6pqf 1
. 7 . 1221 . 1 1 3 GLY C C 5.948 -2.637 -5.998 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6pqf 1
. 7 . 1222 . 1 1 3 GLY CA C 4.802 -2.019 -5.224 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6pqf 1
. 7 . 1223 . 1 1 3 GLY H H 4.341 -3.465 -3.747 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6pqf 1
. 7 . 1224 . 1 1 3 GLY HA2 H 3.880 -2.204 -5.756 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6pqf 1
. 7 . 1225 . 1 1 3 GLY HA3 H 4.960 -0.952 -5.159 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6pqf 1
. 7 . 1226 . 1 1 3 GLY N N 4.685 -2.557 -3.881 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6pqf 1
. 7 . 1227 . 1 1 3 GLY O O 6.359 -2.133 -7.044 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6pqf 1
. 7 . 1228 . 1 1 4 . C C 8.965 -3.871 -5.727 . . . 1.0 . . . . . . . . . . . . A . 4 DBB C . . . . . . . . . rr_6pqf 1
. 7 . 1229 . 1 1 4 . CA C 7.583 -4.380 -6.175 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CA . . . . . . . . . rr_6pqf 1
. 7 . 1230 . 1 1 4 . CB C 7.449 -5.904 -5.985 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CB . . . . . . . . . rr_6pqf 1
. 7 . 1231 . 1 1 4 . CG C 8.460 -6.619 -6.867 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CG . . . . . . . . . rr_6pqf 1
. 7 . 1232 . 1 1 4 . H H 6.121 -4.111 -4.652 . . . 1.0 . . . . . . . . . . . . A . 4 DBB H . . . . . . . . . rr_6pqf 1
. 7 . 1233 . 1 1 4 . HA H 7.476 -4.178 -7.222 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HA . . . . . . . . . rr_6pqf 1
. 7 . 1234 . 1 1 4 . HB2 H 6.478 -6.153 -6.354 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HB2 . . . . . . . . . rr_6pqf 1
. 7 . 1235 . 1 1 4 . HG1 H 8.386 -7.681 -6.692 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG1 . . . . . . . . . rr_6pqf 1
. 7 . 1236 . 1 1 4 . HG2 H 9.456 -6.280 -6.623 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG2 . . . . . . . . . rr_6pqf 1
. 7 . 1237 . 1 1 4 . HG3 H 8.247 -6.408 -7.902 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG3 . . . . . . . . . rr_6pqf 1
. 7 . 1238 . 1 1 4 . N N 6.474 -3.735 -5.490 . . . 1.0 . . . . . . . . . . . . A . 4 DBB N . . . . . . . . . rr_6pqf 1
. 7 . 1239 . 1 1 4 . O O 9.139 -3.619 -4.535 . . . 1.0 . . . . . . . . . . . . A . 4 DBB O . . . . . . . . . rr_6pqf 1
. 7 . 1240 . 1 1 5 GLY C C 12.286 -4.459 -6.395 . . . 1.0 . . . . . . . . . . . . A . 5 GLY C . . . . . . . . . rr_6pqf 1
. 7 . 1241 . 1 1 5 GLY CA C 11.265 -3.348 -6.256 . . . 1.0 . . . . . . . . . . . . A . 5 GLY CA . . . . . . . . . rr_6pqf 1
. 7 . 1242 . 1 1 5 GLY H H 9.733 -3.983 -7.572 . . . 1.0 . . . . . . . . . . . . A . 5 GLY H . . . . . . . . . rr_6pqf 1
. 7 . 1243 . 1 1 5 GLY HA2 H 11.562 -2.520 -6.883 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA2 . . . . . . . . . rr_6pqf 1
. 7 . 1244 . 1 1 5 GLY HA3 H 11.247 -3.018 -5.227 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA3 . . . . . . . . . rr_6pqf 1
. 7 . 1245 . 1 1 5 GLY N N 9.930 -3.769 -6.636 . . . 1.0 . . . . . . . . . . . . A . 5 GLY N . . . . . . . . . rr_6pqf 1
. 7 . 1246 . 1 1 5 GLY O O 13.273 -4.386 -7.122 . . . 1.0 . . . . . . . . . . . . A . 5 GLY O . . . . . . . . . rr_6pqf 1
. 7 . 1247 . 1 1 6 . C C 12.171 -8.039 -5.884 . . . 1.0 . . . . . . . . . . . . A . 6 IAS C . . . . . . . . . rr_6pqf 1
. 7 . 1248 . 1 1 6 . CA C 12.930 -6.726 -5.810 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CA . . . . . . . . . rr_6pqf 1
. 7 . 1249 . 1 1 6 . CB C 14.034 -6.797 -4.739 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CB . . . . . . . . . rr_6pqf 1
. 7 . 1250 . 1 1 6 . CG C 13.501 -6.724 -3.314 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CG . . . . . . . . . rr_6pqf 1
. 7 . 1251 . 1 1 6 . H H 11.268 -5.637 -5.074 . . . 1.0 . . . . . . . . . . . . A . 6 IAS H . . . . . . . . . rr_6pqf 1
. 7 . 1252 . 1 1 6 . HA H 13.401 -6.654 -6.783 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HA . . . . . . . . . rr_6pqf 1
. 7 . 1253 . 1 1 6 . HB2 H 14.676 -5.936 -4.863 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HB2 . . . . . . . . . rr_6pqf 1
. 7 . 1254 . 1 1 6 . HB3 H 14.608 -7.698 -4.889 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HB3 . . . . . . . . . rr_6pqf 1
. 7 . 1255 . 1 1 6 . HXT H 10.596 -8.205 -6.989 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HXT . . . . . . . . . rr_6pqf 1
. 7 . 1256 . 1 1 6 . N N 12.066 -5.566 -5.667 . . . 1.0 . . . . . . . . . . . . A . 6 IAS N . . . . . . . . . rr_6pqf 1
. 7 . 1257 . 1 1 6 . O O 12.202 -8.894 -5.036 . . . 1.0 . . . . . . . . . . . . A . 6 IAS O . . . . . . . . . rr_6pqf 1
. 7 . 1258 . 1 1 6 . OD1 O 13.147 -5.659 -2.812 . . . 1.0 . . . . . . . . . . . . A . 6 IAS OD1 . . . . . . . . . rr_6pqf 1
. 7 . 1259 . 1 1 6 . OXT O 11.562 -8.193 -7.069 . . . 1.0 . . . . . . . . . . . . A . 6 IAS OXT . . . . . . . . . rr_6pqf 1
. 7 . 1260 . 1 1 7 GLY C C 11.484 -7.677 -1.192 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . rr_6pqf 1
. 7 . 1261 . 1 1 7 GLY CA C 12.973 -7.945 -1.295 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . rr_6pqf 1
. 7 . 1262 . 1 1 7 GLY H H 13.750 -8.700 -3.114 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . rr_6pqf 1
. 7 . 1263 . 1 1 7 GLY HA2 H 13.179 -8.927 -0.897 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . rr_6pqf 1
. 7 . 1264 . 1 1 7 GLY HA3 H 13.501 -7.210 -0.706 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . rr_6pqf 1
. 7 . 1265 . 1 1 7 GLY N N 13.455 -7.882 -2.663 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . rr_6pqf 1
. 7 . 1266 . 1 1 7 GLY O O 10.953 -7.496 -0.096 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . rr_6pqf 1
. 7 . 1267 . 1 1 8 CYS C C 8.590 -8.690 -2.158 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . rr_6pqf 1
. 7 . 1268 . 1 1 8 CYS CA C 9.374 -7.398 -2.371 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . rr_6pqf 1
. 7 . 1269 . 1 1 8 CYS CB C 8.978 -6.763 -3.706 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . rr_6pqf 1
. 7 . 1270 . 1 1 8 CYS H H 11.289 -7.799 -3.179 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . rr_6pqf 1
. 7 . 1271 . 1 1 8 CYS HA H 9.137 -6.712 -1.572 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . rr_6pqf 1
. 7 . 1272 . 1 1 8 CYS HB2 H 9.408 -5.773 -3.766 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . rr_6pqf 1
. 7 . 1273 . 1 1 8 CYS HB3 H 9.365 -7.368 -4.512 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . rr_6pqf 1
. 7 . 1274 . 1 1 8 CYS N N 10.809 -7.648 -2.336 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . rr_6pqf 1
. 7 . 1275 . 1 1 8 CYS O O 8.739 -9.650 -2.914 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . rr_6pqf 1
. 7 . 1276 . 1 1 8 CYS SG S 7.180 -6.599 -3.947 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . rr_6pqf 1
. 7 . 1277 . 1 1 9 ALA C C 6.191 -10.366 -2.044 . . . 1.0 . . . . . . . . . . . . A . 9 ALA C . . . . . . . . . rr_6pqf 1
. 7 . 1278 . 1 1 9 ALA CA C 6.947 -9.878 -0.813 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CA . . . . . . . . . rr_6pqf 1
. 7 . 1279 . 1 1 9 ALA CB C 5.977 -9.565 0.316 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CB . . . . . . . . . rr_6pqf 1
. 7 . 1280 . 1 1 9 ALA H H 7.681 -7.910 -0.558 . . . 1.0 . . . . . . . . . . . . A . 9 ALA H . . . . . . . . . rr_6pqf 1
. 7 . 1281 . 1 1 9 ALA HA H 7.611 -10.662 -0.477 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HA . . . . . . . . . rr_6pqf 1
. 7 . 1282 . 1 1 9 ALA HB1 H 5.137 -9.011 -0.076 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB1 . . . . . . . . . rr_6pqf 1
. 7 . 1283 . 1 1 9 ALA HB2 H 5.627 -10.488 0.756 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB2 . . . . . . . . . rr_6pqf 1
. 7 . 1284 . 1 1 9 ALA HB3 H 6.479 -8.975 1.069 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB3 . . . . . . . . . rr_6pqf 1
. 7 . 1285 . 1 1 9 ALA N N 7.756 -8.706 -1.124 . . . 1.0 . . . . . . . . . . . . A . 9 ALA N . . . . . . . . . rr_6pqf 1
. 7 . 1286 . 1 1 9 ALA O O 6.066 -9.645 -3.034 . . . 1.0 . . . . . . . . . . . . A . 9 ALA O . . . . . . . . . rr_6pqf 1
. 7 . 1287 . 1 1 10 LYS C C 3.464 -12.315 -2.732 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_6pqf 1
. 7 . 1288 . 1 1 10 LYS CA C 4.942 -12.178 -3.083 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_6pqf 1
. 7 . 1289 . 1 1 10 LYS CB C 5.519 -13.548 -3.447 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_6pqf 1
. 7 . 1290 . 1 1 10 LYS CD C 6.382 -14.960 -5.337 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_6pqf 1
. 7 . 1291 . 1 1 10 LYS CE C 5.874 -16.357 -5.014 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_6pqf 1
. 7 . 1292 . 1 1 10 LYS CG C 5.382 -13.894 -4.920 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_6pqf 1
. 7 . 1293 . 1 1 10 LYS H H 5.820 -12.119 -1.158 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_6pqf 1
. 7 . 1294 . 1 1 10 LYS HA H 5.038 -11.519 -3.933 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_6pqf 1
. 7 . 1295 . 1 1 10 LYS HB2 H 6.569 -13.562 -3.192 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_6pqf 1
. 7 . 1296 . 1 1 10 LYS HB3 H 5.007 -14.306 -2.872 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_6pqf 1
. 7 . 1297 . 1 1 10 LYS HD2 H 6.549 -14.887 -6.402 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_6pqf 1
. 7 . 1298 . 1 1 10 LYS HD3 H 7.312 -14.794 -4.813 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_6pqf 1
. 7 . 1299 . 1 1 10 LYS HE2 H 5.685 -16.421 -3.954 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_6pqf 1
. 7 . 1300 . 1 1 10 LYS HE3 H 4.955 -16.525 -5.555 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_6pqf 1
. 7 . 1301 . 1 1 10 LYS HG2 H 4.383 -14.262 -5.102 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_6pqf 1
. 7 . 1302 . 1 1 10 LYS HG3 H 5.553 -13.003 -5.507 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_6pqf 1
. 7 . 1303 . 1 1 10 LYS HZ1 H 7.776 -16.970 -5.623 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . rr_6pqf 1
. 7 . 1304 . 1 1 10 LYS HZ2 H 6.521 -17.929 -6.228 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . rr_6pqf 1
. 7 . 1305 . 1 1 10 LYS HZ3 H 6.992 -18.075 -4.609 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_6pqf 1
. 7 . 1306 . 1 1 10 LYS N N 5.687 -11.593 -1.975 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_6pqf 1
. 7 . 1307 . 1 1 10 LYS NZ N 6.860 -17.406 -5.395 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_6pqf 1
. 7 . 1308 . 1 1 10 LYS O O 3.050 -12.088 -1.595 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_6pqf 1
. 7 . 1309 . 1 1 11 . C C 0.593 -11.590 -2.831 . . . 1.0 . . . . . . . . . . . . A . 11 DBB C . . . . . . . . . rr_6pqf 1
. 7 . 1310 . 1 1 11 . CA C 1.241 -12.838 -3.456 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CA . . . . . . . . . rr_6pqf 1
. 7 . 1311 . 1 1 11 . CB C 0.550 -13.237 -4.776 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CB . . . . . . . . . rr_6pqf 1
. 7 . 1312 . 1 1 11 . CG C -0.897 -13.615 -4.501 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CG . . . . . . . . . rr_6pqf 1
. 7 . 1313 . 1 1 11 . H H 3.029 -12.863 -4.610 . . . 1.0 . . . . . . . . . . . . A . 11 DBB H . . . . . . . . . rr_6pqf 1
. 7 . 1314 . 1 1 11 . HA H 1.119 -13.655 -2.773 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HA . . . . . . . . . rr_6pqf 1
. 7 . 1315 . 1 1 11 . HB2 H 1.050 -14.123 -5.103 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HB2 . . . . . . . . . rr_6pqf 1
. 7 . 1316 . 1 1 11 . HG1 H -1.420 -12.746 -4.131 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG1 . . . . . . . . . rr_6pqf 1
. 7 . 1317 . 1 1 11 . HG2 H -0.930 -14.399 -3.759 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG2 . . . . . . . . . rr_6pqf 1
. 7 . 1318 . 1 1 11 . HG3 H -1.360 -13.955 -5.413 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG3 . . . . . . . . . rr_6pqf 1
. 7 . 1319 . 1 1 11 . N N 2.664 -12.690 -3.712 . . . 1.0 . . . . . . . . . . . . A . 11 DBB N . . . . . . . . . rr_6pqf 1
. 7 . 1320 . 1 1 11 . O O 1.074 -10.486 -3.091 . . . 1.0 . . . . . . . . . . . . A . 11 DBB O . . . . . . . . . rr_6pqf 1
. 7 . 1321 . 1 1 12 CYS C C -0.439 -10.071 -0.277 . . . 1.0 . . . . . . . . . . . . A . 12 CYS C . . . . . . . . . rr_6pqf 1
. 7 . 1322 . 1 1 12 CYS CA C -1.188 -10.607 -1.494 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CA . . . . . . . . . rr_6pqf 1
. 7 . 1323 . 1 1 12 CYS CB C -2.611 -11.005 -1.097 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CB . . . . . . . . . rr_6pqf 1
. 7 . 1324 . 1 1 12 CYS H H -0.824 -12.652 -1.902 . . . 1.0 . . . . . . . . . . . . A . 12 CYS H . . . . . . . . . rr_6pqf 1
. 7 . 1325 . 1 1 12 CYS HA H -1.236 -9.831 -2.242 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HA . . . . . . . . . rr_6pqf 1
. 7 . 1326 . 1 1 12 CYS HB2 H -2.575 -11.576 -0.180 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB2 . . . . . . . . . rr_6pqf 1
. 7 . 1327 . 1 1 12 CYS HB3 H -3.194 -10.111 -0.935 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB3 . . . . . . . . . rr_6pqf 1
. 7 . 1328 . 1 1 12 CYS N N -0.488 -11.747 -2.074 . . . 1.0 . . . . . . . . . . . . A . 12 CYS N . . . . . . . . . rr_6pqf 1
. 7 . 1329 . 1 1 12 CYS O O -0.984 -10.017 0.825 . . . 1.0 . . . . . . . . . . . . A . 12 CYS O . . . . . . . . . rr_6pqf 1
. 7 . 1330 . 1 1 12 CYS SG S -3.476 -12.014 -2.342 . . . 1.0 . . . . . . . . . . . . A . 12 CYS SG . . . . . . . . . rr_6pqf 1
. 7 . 1331 . 1 1 13 ALA C C 2.253 -7.804 0.200 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . rr_6pqf 1
. 7 . 1332 . 1 1 13 ALA CA C 1.635 -9.142 0.592 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . rr_6pqf 1
. 7 . 1333 . 1 1 13 ALA CB C 2.722 -10.138 0.969 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . rr_6pqf 1
. 7 . 1334 . 1 1 13 ALA H H 1.190 -9.744 -1.387 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . rr_6pqf 1
. 7 . 1335 . 1 1 13 ALA HA H 1.000 -8.995 1.455 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . rr_6pqf 1
. 7 . 1336 . 1 1 13 ALA HB1 H 2.265 -11.039 1.353 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . rr_6pqf 1
. 7 . 1337 . 1 1 13 ALA HB2 H 3.311 -10.375 0.096 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . rr_6pqf 1
. 7 . 1338 . 1 1 13 ALA HB3 H 3.358 -9.706 1.727 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . rr_6pqf 1
. 7 . 1339 . 1 1 13 ALA N N 0.812 -9.676 -0.486 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . rr_6pqf 1
. 7 . 1340 . 1 1 13 ALA O O 2.400 -6.927 1.050 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . rr_6pqf 1
. 7 . 1341 . 1 1 14 ALA C C 3.203 -6.596 -3.192 . . . 1.0 . . . . . . . . . . . . A . 14 ALA C . . . . . . . . . rr_6pqf 1
. 7 . 1342 . 1 1 14 ALA CA C 3.199 -6.463 -1.604 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CA . . . . . . . . . rr_6pqf 1
. 7 . 1343 . 1 1 14 ALA CB C 4.590 -6.233 -1.142 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CB . . . . . . . . . rr_6pqf 1
. 7 . 1344 . 1 1 14 ALA H H 2.445 -8.427 -1.670 . . . 1.0 . . . . . . . . . . . . A . 14 ALA H . . . . . . . . . rr_6pqf 1
. 7 . 1345 . 1 1 14 ALA HA H 2.553 -5.629 -1.404 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HA . . . . . . . . . rr_6pqf 1
. 7 . 1346 . 1 1 14 ALA HB1 H 4.949 -7.100 -0.606 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB1 . . . . . . . . . rr_6pqf 1
. 7 . 1347 . 1 1 14 ALA HB2 H 5.194 -6.086 -2.025 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB2 . . . . . . . . . rr_6pqf 1
. 7 . 1348 . 1 1 14 ALA N N 2.602 -7.672 -1.066 . . . 1.0 . . . . . . . . . . . . A . 14 ALA N . . . . . . . . . rr_6pqf 1
. 7 . 1349 . 1 1 14 ALA O O 2.944 -5.628 -3.907 . . . 1.0 . . . . . . . . . . . . A . 14 ALA O . . . . . . . . . rr_6pqf 1
. 7 . 1350 . 1 1 15 SER C C 2.187 -8.057 -5.728 . . . 1.0 . . . . . . . . . . . . A . 15 SER C . . . . . . . . . rr_6pqf 1
. 7 . 1351 . 1 1 15 SER CA C 3.584 -8.038 -5.116 . . . 1.0 . . . . . . . . . . . . A . 15 SER CA . . . . . . . . . rr_6pqf 1
. 7 . 1352 . 1 1 15 SER CB C 4.294 -9.365 -5.394 . . . 1.0 . . . . . . . . . . . . A . 15 SER CB . . . . . . . . . rr_6pqf 1
. 7 . 1353 . 1 1 15 SER H H 3.715 -8.524 -3.059 . . . 1.0 . . . . . . . . . . . . A . 15 SER H . . . . . . . . . rr_6pqf 1
. 7 . 1354 . 1 1 15 SER HA H 4.150 -7.236 -5.565 . . . 1.0 . . . . . . . . . . . . A . 15 SER HA . . . . . . . . . rr_6pqf 1
. 7 . 1355 . 1 1 15 SER HB2 H 5.346 -9.260 -5.178 . . . 1.0 . . . . . . . . . . . . A . 15 SER HB2 . . . . . . . . . rr_6pqf 1
. 7 . 1356 . 1 1 15 SER HB3 H 3.871 -10.135 -4.765 . . . 1.0 . . . . . . . . . . . . A . 15 SER HB3 . . . . . . . . . rr_6pqf 1
. 7 . 1357 . 1 1 15 SER HG H 4.680 -10.525 -6.925 . . . 1.0 . . . . . . . . . . . . A . 15 SER HG . . . . . . . . . rr_6pqf 1
. 7 . 1358 . 1 1 15 SER N N 3.519 -7.791 -3.680 . . . 1.0 . . . . . . . . . . . . A . 15 SER N . . . . . . . . . rr_6pqf 1
. 7 . 1359 . 1 1 15 SER O O 1.782 -7.115 -6.409 . . . 1.0 . . . . . . . . . . . . A . 15 SER O . . . . . . . . . rr_6pqf 1
. 7 . 1360 . 1 1 15 SER OG O 4.143 -9.749 -6.750 . . . 1.0 . . . . . . . . . . . . A . 15 SER OG . . . . . . . . . rr_6pqf 1
. 7 . 1361 . 1 1 16 CYS C C -0.877 -8.396 -5.241 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . rr_6pqf 1
. 7 . 1362 . 1 1 16 CYS CA C 0.102 -9.282 -6.006 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . rr_6pqf 1
. 7 . 1363 . 1 1 16 CYS CB C -0.345 -10.743 -5.925 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . rr_6pqf 1
. 7 . 1364 . 1 1 16 CYS H H 1.832 -9.856 -4.930 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . rr_6pqf 1
. 7 . 1365 . 1 1 16 CYS HA H 0.114 -8.975 -7.041 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . rr_6pqf 1
. 7 . 1366 . 1 1 16 CYS HB2 H -0.599 -10.978 -4.902 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . rr_6pqf 1
. 7 . 1367 . 1 1 16 CYS HB3 H -1.217 -10.879 -6.547 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . rr_6pqf 1
. 7 . 1368 . 1 1 16 CYS N N 1.454 -9.138 -5.480 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . rr_6pqf 1
. 7 . 1369 . 1 1 16 CYS O O -0.603 -7.978 -4.116 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . rr_6pqf 1
. 7 . 1370 . 1 1 16 CYS SG S 0.917 -11.939 -6.469 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . rr_6pqf 1
. 7 . 1371 . 1 1 17 ALA C C -4.310 -8.078 -4.967 . . . 1.0 . . . . . . . . . . . . A . 17 ALA C . . . . . . . . . rr_6pqf 1
. 7 . 1372 . 1 1 17 ALA CA C -3.039 -7.280 -5.237 . . . 1.0 . . . . . . . . . . . . A . 17 ALA CA . . . . . . . . . rr_6pqf 1
. 7 . 1373 . 1 1 17 ALA CB C -3.345 -6.076 -6.116 . . . 1.0 . . . . . . . . . . . . A . 17 ALA CB . . . . . . . . . rr_6pqf 1
. 7 . 1374 . 1 1 17 ALA H H -2.179 -8.477 -6.756 . . . 1.0 . . . . . . . . . . . . A . 17 ALA H . . . . . . . . . rr_6pqf 1
. 7 . 1375 . 1 1 17 ALA HA H -2.647 -6.918 -4.297 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HA . . . . . . . . . rr_6pqf 1
. 7 . 1376 . 1 1 17 ALA HB1 H -4.096 -5.464 -5.637 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB1 . . . . . . . . . rr_6pqf 1
. 7 . 1377 . 1 1 17 ALA HB2 H -2.445 -5.497 -6.259 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB2 . . . . . . . . . rr_6pqf 1
. 7 . 1378 . 1 1 17 ALA HB3 H -3.713 -6.414 -7.073 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB3 . . . . . . . . . rr_6pqf 1
. 7 . 1379 . 1 1 17 ALA N N -2.019 -8.114 -5.860 . . . 1.0 . . . . . . . . . . . . A . 17 ALA N . . . . . . . . . rr_6pqf 1
. 7 . 1380 . 1 1 17 ALA O O -5.243 -8.030 -5.769 . . . 1.0 . . . . . . . . . . . . A . 17 ALA O . . . . . . . . . rr_6pqf 1
. 7 . 1381 . 1 1 18 ALA C C -6.496 -8.643 -2.709 . . . 1.0 . . . . . . . . . . . . A . 18 ALA C . . . . . . . . . rr_6pqf 1
. 7 . 1382 . 1 1 18 ALA CA C -5.460 -9.601 -3.449 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CA . . . . . . . . . rr_6pqf 1
. 7 . 1383 . 1 1 18 ALA CB C -5.094 -10.708 -2.530 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CB . . . . . . . . . rr_6pqf 1
. 7 . 1384 . 1 1 18 ALA H H -3.535 -8.765 -3.280 . . . 1.0 . . . . . . . . . . . . A . 18 ALA H . . . . . . . . . rr_6pqf 1
. 7 . 1385 . 1 1 18 ALA HA H -5.983 -9.944 -4.321 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HA . . . . . . . . . rr_6pqf 1
. 7 . 1386 . 1 1 18 ALA HB1 H -5.089 -10.354 -1.509 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB1 . . . . . . . . . rr_6pqf 1
. 7 . 1387 . 1 1 18 ALA HB2 H -5.853 -11.469 -2.638 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB2 . . . . . . . . . rr_6pqf 1
. 7 . 1388 . 1 1 18 ALA N N -4.327 -8.790 -3.857 . . . 1.0 . . . . . . . . . . . . A . 18 ALA N . . . . . . . . . rr_6pqf 1
. 7 . 1389 . 1 1 18 ALA O O -7.708 -8.769 -2.883 . . . 1.0 . . . . . . . . . . . . A . 18 ALA O . . . . . . . . . rr_6pqf 1
. 7 . 1390 . 1 1 19 SER C C -7.315 -5.680 -2.025 . . . 1.0 . . . . . . . . . . . . A . 19 SER C . . . . . . . . . rr_6pqf 1
. 7 . 1391 . 1 1 19 SER CA C -6.813 -6.813 -1.136 . . . 1.0 . . . . . . . . . . . . A . 19 SER CA . . . . . . . . . rr_6pqf 1
. 7 . 1392 . 1 1 19 SER CB C -6.037 -6.239 0.051 . . . 1.0 . . . . . . . . . . . . A . 19 SER CB . . . . . . . . . rr_6pqf 1
. 7 . 1393 . 1 1 19 SER H H -4.999 -7.682 -1.796 . . . 1.0 . . . . . . . . . . . . A . 19 SER H . . . . . . . . . rr_6pqf 1
. 7 . 1394 . 1 1 19 SER HA H -7.662 -7.367 -0.765 . . . 1.0 . . . . . . . . . . . . A . 19 SER HA . . . . . . . . . rr_6pqf 1
. 7 . 1395 . 1 1 19 SER HB2 H -5.204 -5.657 -0.314 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB2 . . . . . . . . . rr_6pqf 1
. 7 . 1396 . 1 1 19 SER HB3 H -6.691 -5.605 0.633 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB3 . . . . . . . . . rr_6pqf 1
. 7 . 1397 . 1 1 19 SER HG H -6.260 -7.858 1.130 . . . 1.0 . . . . . . . . . . . . A . 19 SER HG . . . . . . . . . rr_6pqf 1
. 7 . 1398 . 1 1 19 SER N N -5.973 -7.733 -1.893 . . . 1.0 . . . . . . . . . . . . A . 19 SER N . . . . . . . . . rr_6pqf 1
. 7 . 1399 . 1 1 19 SER O O -6.965 -5.599 -3.201 . . . 1.0 . . . . . . . . . . . . A . 19 SER O . . . . . . . . . rr_6pqf 1
. 7 . 1400 . 1 1 19 SER OG O -5.541 -7.272 0.884 . . . 1.0 . . . . . . . . . . . . A . 19 SER OG . . . . . . . . . rr_6pqf 1
. 8 . 1401 . 1 1 1 ALA C C 2.523 -0.596 -1.149 . . . 1.0 . . . . . . . . . . . . A . 1 ALA C . . . . . . . . . rr_6pqf 1
. 8 . 1402 . 1 1 1 ALA CA C 1.317 0.275 -1.486 . . . 1.0 . . . . . . . . . . . . A . 1 ALA CA . . . . . . . . . rr_6pqf 1
. 8 . 1403 . 1 1 1 ALA CB C 1.646 1.744 -1.266 . . . 1.0 . . . . . . . . . . . . A . 1 ALA CB . . . . . . . . . rr_6pqf 1
. 8 . 1404 . 1 1 1 ALA H1 H -0.096 0.439 0.081 . . . 1.0 . . . . . . . . . . . . A . 1 ALA H1 . . . . . . . . . rr_6pqf 1
. 8 . 1405 . 1 1 1 ALA HA H 1.068 0.139 -2.529 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HA . . . . . . . . . rr_6pqf 1
. 8 . 1406 . 1 1 1 ALA HB1 H 2.510 1.826 -0.622 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB1 . . . . . . . . . rr_6pqf 1
. 8 . 1407 . 1 1 1 ALA HB2 H 1.859 2.211 -2.216 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB2 . . . . . . . . . rr_6pqf 1
. 8 . 1408 . 1 1 1 ALA HB3 H 0.804 2.236 -0.802 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB3 . . . . . . . . . rr_6pqf 1
. 8 . 1409 . 1 1 1 ALA N N 0.155 -0.107 -0.693 . . . 1.0 . . . . . . . . . . . . A . 1 ALA N . . . . . . . . . rr_6pqf 1
. 8 . 1410 . 1 1 1 ALA O O 2.654 -1.085 -0.026 . . . 1.0 . . . . . . . . . . . . A . 1 ALA O . . . . . . . . . rr_6pqf 1
. 8 . 1411 . 1 1 2 CYS C C 5.706 -1.169 -2.889 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_6pqf 1
. 8 . 1412 . 1 1 2 CYS CA C 4.596 -1.599 -1.935 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_6pqf 1
. 8 . 1413 . 1 1 2 CYS CB C 4.271 -3.079 -2.148 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_6pqf 1
. 8 . 1414 . 1 1 2 CYS H H 3.242 -0.370 -3.001 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_6pqf 1
. 8 . 1415 . 1 1 2 CYS HA H 4.935 -1.456 -0.920 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_6pqf 1
. 8 . 1416 . 1 1 2 CYS HB2 H 3.315 -3.298 -1.695 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_6pqf 1
. 8 . 1417 . 1 1 2 CYS HB3 H 4.216 -3.279 -3.208 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_6pqf 1
. 8 . 1418 . 1 1 2 CYS N N 3.401 -0.786 -2.127 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_6pqf 1
. 8 . 1419 . 1 1 2 CYS O O 5.485 -1.025 -4.091 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_6pqf 1
. 8 . 1420 . 1 1 2 CYS SG S 5.497 -4.220 -1.430 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_6pqf 1
. 8 . 1421 . 1 1 3 GLY C C 8.300 -1.512 -4.302 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6pqf 1
. 8 . 1422 . 1 1 3 GLY CA C 8.028 -0.552 -3.161 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6pqf 1
. 8 . 1423 . 1 1 3 GLY H H 7.019 -1.094 -1.380 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6pqf 1
. 8 . 1424 . 1 1 3 GLY HA2 H 7.825 0.427 -3.569 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6pqf 1
. 8 . 1425 . 1 1 3 GLY HA3 H 8.908 -0.495 -2.537 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6pqf 1
. 8 . 1426 . 1 1 3 GLY N N 6.902 -0.964 -2.344 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6pqf 1
. 8 . 1427 . 1 1 3 GLY O O 8.858 -1.138 -5.333 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6pqf 1
. 8 . 1428 . 1 1 4 . C C 9.615 -3.842 -5.603 . . . 1.0 . . . . . . . . . . . . A . 4 DBB C . . . . . . . . . rr_6pqf 1
. 8 . 1429 . 1 1 4 . CA C 8.141 -3.738 -5.173 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CA . . . . . . . . . rr_6pqf 1
. 8 . 1430 . 1 1 4 . CB C 7.589 -5.098 -4.698 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CB . . . . . . . . . rr_6pqf 1
. 8 . 1431 . 1 1 4 . CG C 7.616 -6.089 -5.850 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CG . . . . . . . . . rr_6pqf 1
. 8 . 1432 . 1 1 4 . H H 7.464 -3.023 -3.286 . . . 1.0 . . . . . . . . . . . . A . 4 DBB H . . . . . . . . . rr_6pqf 1
. 8 . 1433 . 1 1 4 . HA H 7.564 -3.441 -6.026 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HA . . . . . . . . . rr_6pqf 1
. 8 . 1434 . 1 1 4 . HB2 H 6.563 -4.921 -4.459 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HB2 . . . . . . . . . rr_6pqf 1
. 8 . 1435 . 1 1 4 . HG1 H 8.644 -6.307 -6.099 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG1 . . . . . . . . . rr_6pqf 1
. 8 . 1436 . 1 1 4 . HG2 H 7.119 -5.661 -6.707 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG2 . . . . . . . . . rr_6pqf 1
. 8 . 1437 . 1 1 4 . HG3 H 7.116 -6.998 -5.555 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG3 . . . . . . . . . rr_6pqf 1
. 8 . 1438 . 1 1 4 . N N 7.907 -2.759 -4.124 . . . 1.0 . . . . . . . . . . . . A . 4 DBB N . . . . . . . . . rr_6pqf 1
. 8 . 1439 . 1 1 4 . O O 9.888 -3.725 -6.796 . . . 1.0 . . . . . . . . . . . . A . 4 DBB O . . . . . . . . . rr_6pqf 1
. 8 . 1440 . 1 1 5 GLY C C 12.245 -5.068 -6.095 . . . 1.0 . . . . . . . . . . . . A . 5 GLY C . . . . . . . . . rr_6pqf 1
. 8 . 1441 . 1 1 5 GLY CA C 11.949 -4.054 -5.008 . . . 1.0 . . . . . . . . . . . . A . 5 GLY CA . . . . . . . . . rr_6pqf 1
. 8 . 1442 . 1 1 5 GLY H H 10.265 -4.093 -3.726 . . . 1.0 . . . . . . . . . . . . A . 5 GLY H . . . . . . . . . rr_6pqf 1
. 8 . 1443 . 1 1 5 GLY HA2 H 12.259 -3.077 -5.348 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA2 . . . . . . . . . rr_6pqf 1
. 8 . 1444 . 1 1 5 GLY HA3 H 12.516 -4.313 -4.126 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA3 . . . . . . . . . rr_6pqf 1
. 8 . 1445 . 1 1 5 GLY N N 10.541 -4.005 -4.662 . . . 1.0 . . . . . . . . . . . . A . 5 GLY N . . . . . . . . . rr_6pqf 1
. 8 . 1446 . 1 1 5 GLY O O 12.182 -4.813 -7.294 . . . 1.0 . . . . . . . . . . . . A . 5 GLY O . . . . . . . . . rr_6pqf 1
. 8 . 1447 . 1 1 6 . C C 11.524 -8.128 -6.985 . . . 1.0 . . . . . . . . . . . . A . 6 IAS C . . . . . . . . . rr_6pqf 1
. 8 . 1448 . 1 1 6 . CA C 12.794 -7.368 -6.647 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CA . . . . . . . . . rr_6pqf 1
. 8 . 1449 . 1 1 6 . CB C 13.919 -8.340 -6.249 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CB . . . . . . . . . rr_6pqf 1
. 8 . 1450 . 1 1 6 . CG C 13.742 -8.932 -4.857 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CG . . . . . . . . . rr_6pqf 1
. 8 . 1451 . 1 1 6 . H H 12.646 -6.516 -4.713 . . . 1.0 . . . . . . . . . . . . A . 6 IAS H . . . . . . . . . rr_6pqf 1
. 8 . 1452 . 1 1 6 . HA H 13.061 -6.901 -7.588 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HA . . . . . . . . . rr_6pqf 1
. 8 . 1453 . 1 1 6 . HB2 H 14.846 -7.787 -6.224 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HB2 . . . . . . . . . rr_6pqf 1
. 8 . 1454 . 1 1 6 . HB3 H 13.986 -9.120 -6.992 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HB3 . . . . . . . . . rr_6pqf 1
. 8 . 1455 . 1 1 6 . HXT H 10.322 -7.738 -8.445 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HXT . . . . . . . . . rr_6pqf 1
. 8 . 1456 . 1 1 6 . N N 12.592 -6.299 -5.684 . . . 1.0 . . . . . . . . . . . . A . 6 IAS N . . . . . . . . . rr_6pqf 1
. 8 . 1457 . 1 1 6 . O O 10.914 -8.818 -6.208 . . . 1.0 . . . . . . . . . . . . A . 6 IAS O . . . . . . . . . rr_6pqf 1
. 8 . 1458 . 1 1 6 . OD1 O 13.376 -10.095 -4.692 . . . 1.0 . . . . . . . . . . . . A . 6 IAS OD1 . . . . . . . . . rr_6pqf 1
. 8 . 1459 . 1 1 6 . OXT O 11.228 -8.045 -8.291 . . . 1.0 . . . . . . . . . . . . A . 6 IAS OXT . . . . . . . . . rr_6pqf 1
. 8 . 1460 . 1 1 7 GLY C C 12.484 -8.282 -1.913 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . rr_6pqf 1
. 8 . 1461 . 1 1 7 GLY CA C 13.867 -8.549 -2.473 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . rr_6pqf 1
. 8 . 1462 . 1 1 7 GLY H H 14.293 -7.190 -4.040 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . rr_6pqf 1
. 8 . 1463 . 1 1 7 GLY HA2 H 14.065 -9.609 -2.426 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . rr_6pqf 1
. 8 . 1464 . 1 1 7 GLY HA3 H 14.594 -8.030 -1.866 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . rr_6pqf 1
. 8 . 1465 . 1 1 7 GLY N N 14.004 -8.106 -3.848 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . rr_6pqf 1
. 8 . 1466 . 1 1 7 GLY O O 12.285 -8.288 -0.698 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . rr_6pqf 1
. 8 . 1467 . 1 1 8 CYS C C 9.374 -9.070 -2.194 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . rr_6pqf 1
. 8 . 1468 . 1 1 8 CYS CA C 10.152 -7.772 -2.390 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . rr_6pqf 1
. 8 . 1469 . 1 1 8 CYS CB C 9.450 -6.896 -3.430 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . rr_6pqf 1
. 8 . 1470 . 1 1 8 CYS H H 11.744 -8.053 -3.757 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . rr_6pqf 1
. 8 . 1471 . 1 1 8 CYS HA H 10.186 -7.242 -1.450 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . rr_6pqf 1
. 8 . 1472 . 1 1 8 CYS HB2 H 10.192 -6.316 -3.960 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . rr_6pqf 1
. 8 . 1473 . 1 1 8 CYS HB3 H 8.929 -7.531 -4.132 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . rr_6pqf 1
. 8 . 1474 . 1 1 8 CYS N N 11.524 -8.044 -2.801 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . rr_6pqf 1
. 8 . 1475 . 1 1 8 CYS O O 9.823 -10.141 -2.601 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . rr_6pqf 1
. 8 . 1476 . 1 1 8 CYS SG S 8.238 -5.733 -2.727 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . rr_6pqf 1
. 8 . 1477 . 1 1 9 ALA C C 6.386 -10.353 -2.468 . . . 1.0 . . . . . . . . . . . . A . 9 ALA C . . . . . . . . . rr_6pqf 1
. 8 . 1478 . 1 1 9 ALA CA C 7.365 -10.129 -1.321 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CA . . . . . . . . . rr_6pqf 1
. 8 . 1479 . 1 1 9 ALA CB C 6.615 -9.968 -0.007 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CB . . . . . . . . . rr_6pqf 1
. 8 . 1480 . 1 1 9 ALA H H 7.903 -8.083 -1.269 . . . 1.0 . . . . . . . . . . . . A . 9 ALA H . . . . . . . . . rr_6pqf 1
. 8 . 1481 . 1 1 9 ALA HA H 8.008 -10.994 -1.237 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HA . . . . . . . . . rr_6pqf 1
. 8 . 1482 . 1 1 9 ALA HB1 H 6.081 -9.029 -0.012 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB1 . . . . . . . . . rr_6pqf 1
. 8 . 1483 . 1 1 9 ALA HB2 H 5.914 -10.781 0.108 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB2 . . . . . . . . . rr_6pqf 1
. 8 . 1484 . 1 1 9 ALA HB3 H 7.318 -9.979 0.812 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB3 . . . . . . . . . rr_6pqf 1
. 8 . 1485 . 1 1 9 ALA N N 8.206 -8.965 -1.569 . . . 1.0 . . . . . . . . . . . . A . 9 ALA N . . . . . . . . . rr_6pqf 1
. 8 . 1486 . 1 1 9 ALA O O 6.021 -9.416 -3.179 . . . 1.0 . . . . . . . . . . . . A . 9 ALA O . . . . . . . . . rr_6pqf 1
. 8 . 1487 . 1 1 10 LYS C C 3.629 -12.190 -3.139 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_6pqf 1
. 8 . 1488 . 1 1 10 LYS CA C 5.025 -11.948 -3.705 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_6pqf 1
. 8 . 1489 . 1 1 10 LYS CB C 5.507 -13.194 -4.452 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_6pqf 1
. 8 . 1490 . 1 1 10 LYS CD C 5.557 -15.703 -4.342 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_6pqf 1
. 8 . 1491 . 1 1 10 LYS CE C 6.384 -16.817 -3.718 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_6pqf 1
. 8 . 1492 . 1 1 10 LYS CG C 5.686 -14.408 -3.557 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_6pqf 1
. 8 . 1493 . 1 1 10 LYS H H 6.289 -12.305 -2.045 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_6pqf 1
. 8 . 1494 . 1 1 10 LYS HA H 4.982 -11.119 -4.395 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_6pqf 1
. 8 . 1495 . 1 1 10 LYS HB2 H 4.787 -13.440 -5.218 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_6pqf 1
. 8 . 1496 . 1 1 10 LYS HB3 H 6.456 -12.974 -4.919 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_6pqf 1
. 8 . 1497 . 1 1 10 LYS HD2 H 4.521 -16.004 -4.356 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_6pqf 1
. 8 . 1498 . 1 1 10 LYS HD3 H 5.899 -15.536 -5.354 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_6pqf 1
. 8 . 1499 . 1 1 10 LYS HE2 H 6.182 -16.847 -2.659 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_6pqf 1
. 8 . 1500 . 1 1 10 LYS HE3 H 6.095 -17.756 -4.167 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_6pqf 1
. 8 . 1501 . 1 1 10 LYS HG2 H 6.665 -14.370 -3.105 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_6pqf 1
. 8 . 1502 . 1 1 10 LYS HG3 H 4.929 -14.390 -2.785 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_6pqf 1
. 8 . 1503 . 1 1 10 LYS HZ1 H 8.293 -17.500 -4.220 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . rr_6pqf 1
. 8 . 1504 . 1 1 10 LYS HZ2 H 8.288 -16.282 -3.046 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . rr_6pqf 1
. 8 . 1505 . 1 1 10 LYS HZ3 H 8.000 -15.895 -4.668 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_6pqf 1
. 8 . 1506 . 1 1 10 LYS N N 5.963 -11.600 -2.644 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_6pqf 1
. 8 . 1507 . 1 1 10 LYS NZ N 7.844 -16.609 -3.928 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_6pqf 1
. 8 . 1508 . 1 1 10 LYS O O 3.374 -11.987 -1.951 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_6pqf 1
. 8 . 1509 . 1 1 11 . C C 0.706 -11.654 -2.867 . . . 1.0 . . . . . . . . . . . . A . 11 DBB C . . . . . . . . . rr_6pqf 1
. 8 . 1510 . 1 1 11 . CA C 1.367 -12.877 -3.527 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CA . . . . . . . . . rr_6pqf 1
. 8 . 1511 . 1 1 11 . CB C 0.536 -13.400 -4.716 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CB . . . . . . . . . rr_6pqf 1
. 8 . 1512 . 1 1 11 . CG C -0.819 -13.879 -4.220 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CG . . . . . . . . . rr_6pqf 1
. 8 . 1513 . 1 1 11 . H H 2.961 -12.778 -4.934 . . . 1.0 . . . . . . . . . . . . A . 11 DBB H . . . . . . . . . rr_6pqf 1
. 8 . 1514 . 1 1 11 . HA H 1.415 -13.664 -2.801 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HA . . . . . . . . . rr_6pqf 1
. 8 . 1515 . 1 1 11 . HB2 H 1.062 -14.259 -5.075 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HB2 . . . . . . . . . rr_6pqf 1
. 8 . 1516 . 1 1 11 . HG1 H -1.414 -13.020 -3.950 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG1 . . . . . . . . . rr_6pqf 1
. 8 . 1517 . 1 1 11 . HG2 H -0.684 -14.512 -3.356 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG2 . . . . . . . . . rr_6pqf 1
. 8 . 1518 . 1 1 11 . HG3 H -1.314 -14.431 -5.003 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG3 . . . . . . . . . rr_6pqf 1
. 8 . 1519 . 1 1 11 . N N 2.722 -12.627 -3.991 . . . 1.0 . . . . . . . . . . . . A . 11 DBB N . . . . . . . . . rr_6pqf 1
. 8 . 1520 . 1 1 11 . O O 1.034 -10.530 -3.250 . . . 1.0 . . . . . . . . . . . . A . 11 DBB O . . . . . . . . . rr_6pqf 1
. 8 . 1521 . 1 1 12 CYS C C -0.074 -10.089 -0.245 . . . 1.0 . . . . . . . . . . . . A . 12 CYS C . . . . . . . . . rr_6pqf 1
. 8 . 1522 . 1 1 12 CYS CA C -0.937 -10.750 -1.315 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CA . . . . . . . . . rr_6pqf 1
. 8 . 1523 . 1 1 12 CYS CB C -2.248 -11.242 -0.696 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CB . . . . . . . . . rr_6pqf 1
. 8 . 1524 . 1 1 12 CYS H H -0.447 -12.777 -1.679 . . . 1.0 . . . . . . . . . . . . A . 12 CYS H . . . . . . . . . rr_6pqf 1
. 8 . 1525 . 1 1 12 CYS HA H -1.162 -10.022 -2.080 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HA . . . . . . . . . rr_6pqf 1
. 8 . 1526 . 1 1 12 CYS HB2 H -2.032 -11.730 0.243 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB2 . . . . . . . . . rr_6pqf 1
. 8 . 1527 . 1 1 12 CYS HB3 H -2.892 -10.394 -0.516 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB3 . . . . . . . . . rr_6pqf 1
. 8 . 1528 . 1 1 12 CYS N N -0.228 -11.858 -1.944 . . . 1.0 . . . . . . . . . . . . A . 12 CYS N . . . . . . . . . rr_6pqf 1
. 8 . 1529 . 1 1 12 CYS O O -0.458 -10.018 0.922 . . . 1.0 . . . . . . . . . . . . A . 12 CYS O . . . . . . . . . rr_6pqf 1
. 8 . 1530 . 1 1 12 CYS SG S -3.163 -12.425 -1.736 . . . 1.0 . . . . . . . . . . . . A . 12 CYS SG . . . . . . . . . rr_6pqf 1
. 8 . 1531 . 1 1 13 ALA C C 2.455 -7.592 -0.268 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . rr_6pqf 1
. 8 . 1532 . 1 1 13 ALA CA C 2.013 -8.948 0.271 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . rr_6pqf 1
. 8 . 1533 . 1 1 13 ALA CB C 3.222 -9.834 0.533 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . rr_6pqf 1
. 8 . 1534 . 1 1 13 ALA H H 1.347 -9.692 -1.595 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . rr_6pqf 1
. 8 . 1535 . 1 1 13 ALA HA H 1.495 -8.800 1.208 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . rr_6pqf 1
. 8 . 1536 . 1 1 13 ALA HB1 H 2.890 -10.801 0.880 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . rr_6pqf 1
. 8 . 1537 . 1 1 13 ALA HB2 H 3.787 -9.952 -0.380 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . rr_6pqf 1
. 8 . 1538 . 1 1 13 ALA HB3 H 3.846 -9.376 1.286 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . rr_6pqf 1
. 8 . 1539 . 1 1 13 ALA N N 1.096 -9.606 -0.652 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . rr_6pqf 1
. 8 . 1540 . 1 1 13 ALA O O 2.639 -6.656 0.509 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . rr_6pqf 1
. 8 . 1541 . 1 1 14 ALA C C 2.809 -6.510 -3.813 . . . 1.0 . . . . . . . . . . . . A . 14 ALA C . . . . . . . . . rr_6pqf 1
. 8 . 1542 . 1 1 14 ALA CA C 3.030 -6.292 -2.250 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CA . . . . . . . . . rr_6pqf 1
. 8 . 1543 . 1 1 14 ALA CB C 4.452 -5.937 -2.015 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CB . . . . . . . . . rr_6pqf 1
. 8 . 1544 . 1 1 14 ALA H H 2.447 -8.309 -2.114 . . . 1.0 . . . . . . . . . . . . A . 14 ALA H . . . . . . . . . rr_6pqf 1
. 8 . 1545 . 1 1 14 ALA HA H 2.358 -5.496 -1.991 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HA . . . . . . . . . rr_6pqf 1
. 8 . 1546 . 1 1 14 ALA HB1 H 4.878 -6.594 -1.271 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB1 . . . . . . . . . rr_6pqf 1
. 8 . 1547 . 1 1 14 ALA HB2 H 4.970 -6.078 -2.952 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB2 . . . . . . . . . rr_6pqf 1
. 8 . 1548 . 1 1 14 ALA N N 2.618 -7.509 -1.575 . . . 1.0 . . . . . . . . . . . . A . 14 ALA N . . . . . . . . . rr_6pqf 1
. 8 . 1549 . 1 1 14 ALA O O 2.361 -5.607 -4.520 . . . 1.0 . . . . . . . . . . . . A . 14 ALA O . . . . . . . . . rr_6pqf 1
. 8 . 1550 . 1 1 15 SER C C 1.561 -8.176 -6.102 . . . 1.0 . . . . . . . . . . . . A . 15 SER C . . . . . . . . . rr_6pqf 1
. 8 . 1551 . 1 1 15 SER CA C 3.027 -8.020 -5.710 . . . 1.0 . . . . . . . . . . . . A . 15 SER CA . . . . . . . . . rr_6pqf 1
. 8 . 1552 . 1 1 15 SER CB C 3.793 -9.303 -6.037 . . . 1.0 . . . . . . . . . . . . A . 15 SER CB . . . . . . . . . rr_6pqf 1
. 8 . 1553 . 1 1 15 SER H H 3.506 -8.379 -3.680 . . . 1.0 . . . . . . . . . . . . A . 15 SER H . . . . . . . . . rr_6pqf 1
. 8 . 1554 . 1 1 15 SER HA H 3.453 -7.203 -6.274 . . . 1.0 . . . . . . . . . . . . A . 15 SER HA . . . . . . . . . rr_6pqf 1
. 8 . 1555 . 1 1 15 SER HB2 H 4.842 -9.156 -5.828 . . . 1.0 . . . . . . . . . . . . A . 15 SER HB2 . . . . . . . . . rr_6pqf 1
. 8 . 1556 . 1 1 15 SER HB3 H 3.415 -10.110 -5.427 . . . 1.0 . . . . . . . . . . . . A . 15 SER HB3 . . . . . . . . . rr_6pqf 1
. 8 . 1557 . 1 1 15 SER HG H 4.207 -10.404 -7.603 . . . 1.0 . . . . . . . . . . . . A . 15 SER HG . . . . . . . . . rr_6pqf 1
. 8 . 1558 . 1 1 15 SER N N 3.155 -7.701 -4.293 . . . 1.0 . . . . . . . . . . . . A . 15 SER N . . . . . . . . . rr_6pqf 1
. 8 . 1559 . 1 1 15 SER O O 0.984 -7.305 -6.753 . . . 1.0 . . . . . . . . . . . . A . 15 SER O . . . . . . . . . rr_6pqf 1
. 8 . 1560 . 1 1 15 SER OG O 3.644 -9.653 -7.402 . . . 1.0 . . . . . . . . . . . . A . 15 SER OG . . . . . . . . . rr_6pqf 1
. 8 . 1561 . 1 1 16 CYS C C -1.359 -8.726 -5.132 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . rr_6pqf 1
. 8 . 1562 . 1 1 16 CYS CA C -0.435 -9.566 -6.009 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . rr_6pqf 1
. 8 . 1563 . 1 1 16 CYS CB C -0.741 -11.052 -5.813 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . rr_6pqf 1
. 8 . 1564 . 1 1 16 CYS H H 1.476 -9.951 -5.184 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . rr_6pqf 1
. 8 . 1565 . 1 1 16 CYS HA H -0.604 -9.306 -7.042 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . rr_6pqf 1
. 8 . 1566 . 1 1 16 CYS HB2 H -0.824 -11.259 -4.756 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . rr_6pqf 1
. 8 . 1567 . 1 1 16 CYS HB3 H -1.679 -11.285 -6.295 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . rr_6pqf 1
. 8 . 1568 . 1 1 16 CYS N N 0.964 -9.293 -5.701 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . rr_6pqf 1
. 8 . 1569 . 1 1 16 CYS O O -0.943 -8.195 -4.103 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . rr_6pqf 1
. 8 . 1570 . 1 1 16 CYS SG S 0.526 -12.169 -6.496 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . rr_6pqf 1
. 8 . 1571 . 1 1 17 ALA C C -4.744 -8.723 -4.320 . . . 1.0 . . . . . . . . . . . . A . 17 ALA C . . . . . . . . . rr_6pqf 1
. 8 . 1572 . 1 1 17 ALA CA C -3.600 -7.837 -4.801 . . . 1.0 . . . . . . . . . . . . A . 17 ALA CA . . . . . . . . . rr_6pqf 1
. 8 . 1573 . 1 1 17 ALA CB C -4.136 -6.697 -5.656 . . . 1.0 . . . . . . . . . . . . A . 17 ALA CB . . . . . . . . . rr_6pqf 1
. 8 . 1574 . 1 1 17 ALA H H -2.888 -9.057 -6.377 . . . 1.0 . . . . . . . . . . . . A . 17 ALA H . . . . . . . . . rr_6pqf 1
. 8 . 1575 . 1 1 17 ALA HA H -3.105 -7.408 -3.942 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HA . . . . . . . . . rr_6pqf 1
. 8 . 1576 . 1 1 17 ALA HB1 H -3.690 -5.767 -5.334 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB1 . . . . . . . . . rr_6pqf 1
. 8 . 1577 . 1 1 17 ALA HB2 H -3.887 -6.877 -6.691 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB2 . . . . . . . . . rr_6pqf 1
. 8 . 1578 . 1 1 17 ALA HB3 H -5.208 -6.640 -5.547 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB3 . . . . . . . . . rr_6pqf 1
. 8 . 1579 . 1 1 17 ALA N N -2.616 -8.610 -5.548 . . . 1.0 . . . . . . . . . . . . A . 17 ALA N . . . . . . . . . rr_6pqf 1
. 8 . 1580 . 1 1 17 ALA O O -5.781 -8.793 -4.979 . . . 1.0 . . . . . . . . . . . . A . 17 ALA O . . . . . . . . . rr_6pqf 1
. 8 . 1581 . 1 1 18 ALA C C -6.494 -9.361 -1.700 . . . 1.0 . . . . . . . . . . . . A . 18 ALA C . . . . . . . . . rr_6pqf 1
. 8 . 1582 . 1 1 18 ALA CA C -5.527 -10.258 -2.594 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CA . . . . . . . . . rr_6pqf 1
. 8 . 1583 . 1 1 18 ALA CB C -4.935 -11.317 -1.740 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CB . . . . . . . . . rr_6pqf 1
. 8 . 1584 . 1 1 18 ALA H H -3.681 -9.258 -2.737 . . . 1.0 . . . . . . . . . . . . A . 18 ALA H . . . . . . . . . rr_6pqf 1
. 8 . 1585 . 1 1 18 ALA HA H -6.162 -10.655 -3.364 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HA . . . . . . . . . rr_6pqf 1
. 8 . 1586 . 1 1 18 ALA HB1 H -4.866 -10.972 -0.718 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB1 . . . . . . . . . rr_6pqf 1
. 8 . 1587 . 1 1 18 ALA HB2 H -5.601 -12.166 -1.783 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB2 . . . . . . . . . rr_6pqf 1
. 8 . 1588 . 1 1 18 ALA N N -4.541 -9.377 -3.192 . . . 1.0 . . . . . . . . . . . . A . 18 ALA N . . . . . . . . . rr_6pqf 1
. 8 . 1589 . 1 1 18 ALA O O -6.092 -8.849 -0.654 . . . 1.0 . . . . . . . . . . . . A . 18 ALA O . . . . . . . . . rr_6pqf 1
. 8 . 1590 . 1 1 19 SER C C -8.874 -8.852 -0.013 . . . 1.0 . . . . . . . . . . . . A . 19 SER C . . . . . . . . . rr_6pqf 1
. 8 . 1591 . 1 1 19 SER CA C -8.703 -8.371 -1.451 . . . 1.0 . . . . . . . . . . . . A . 19 SER CA . . . . . . . . . rr_6pqf 1
. 8 . 1592 . 1 1 19 SER CB C -10.051 -8.402 -2.174 . . . 1.0 . . . . . . . . . . . . A . 19 SER CB . . . . . . . . . rr_6pqf 1
. 8 . 1593 . 1 1 19 SER H H -7.989 -9.624 -3.000 . . . 1.0 . . . . . . . . . . . . A . 19 SER H . . . . . . . . . rr_6pqf 1
. 8 . 1594 . 1 1 19 SER HA H -8.335 -7.355 -1.437 . . . 1.0 . . . . . . . . . . . . A . 19 SER HA . . . . . . . . . rr_6pqf 1
. 8 . 1595 . 1 1 19 SER HB2 H -10.831 -8.106 -1.490 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB2 . . . . . . . . . rr_6pqf 1
. 8 . 1596 . 1 1 19 SER HB3 H -10.025 -7.716 -3.009 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB3 . . . . . . . . . rr_6pqf 1
. 8 . 1597 . 1 1 19 SER HG H -11.068 -9.657 -3.283 . . . 1.0 . . . . . . . . . . . . A . 19 SER HG . . . . . . . . . rr_6pqf 1
. 8 . 1598 . 1 1 19 SER N N -7.728 -9.190 -2.161 . . . 1.0 . . . . . . . . . . . . A . 19 SER N . . . . . . . . . rr_6pqf 1
. 8 . 1599 . 1 1 19 SER O O -9.424 -8.143 0.828 . . . 1.0 . . . . . . . . . . . . A . 19 SER O . . . . . . . . . rr_6pqf 1
. 8 . 1600 . 1 1 19 SER OG O -10.339 -9.702 -2.660 . . . 1.0 . . . . . . . . . . . . A . 19 SER OG . . . . . . . . . rr_6pqf 1
. 9 . 1601 . 1 1 1 ALA C C 3.520 -0.495 0.840 . . . 1.0 . . . . . . . . . . . . A . 1 ALA C . . . . . . . . . rr_6pqf 1
. 9 . 1602 . 1 1 1 ALA CA C 2.183 0.160 1.170 . . . 1.0 . . . . . . . . . . . . A . 1 ALA CA . . . . . . . . . rr_6pqf 1
. 9 . 1603 . 1 1 1 ALA CB C 2.023 1.458 0.393 . . . 1.0 . . . . . . . . . . . . A . 1 ALA CB . . . . . . . . . rr_6pqf 1
. 9 . 1604 . 1 1 1 ALA H1 H 1.861 1.315 2.913 . . . 1.0 . . . . . . . . . . . . A . 1 ALA H1 . . . . . . . . . rr_6pqf 1
. 9 . 1605 . 1 1 1 ALA HA H 1.385 -0.507 0.876 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HA . . . . . . . . . rr_6pqf 1
. 9 . 1606 . 1 1 1 ALA HB1 H 2.634 2.226 0.848 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB1 . . . . . . . . . rr_6pqf 1
. 9 . 1607 . 1 1 1 ALA HB2 H 2.337 1.307 -0.629 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB2 . . . . . . . . . rr_6pqf 1
. 9 . 1608 . 1 1 1 ALA HB3 H 0.988 1.764 0.412 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB3 . . . . . . . . . rr_6pqf 1
. 9 . 1609 . 1 1 1 ALA N N 2.059 0.408 2.601 . . . 1.0 . . . . . . . . . . . . A . 1 ALA N . . . . . . . . . rr_6pqf 1
. 9 . 1610 . 1 1 1 ALA O O 4.514 -0.286 1.537 . . . 1.0 . . . . . . . . . . . . A . 1 ALA O . . . . . . . . . rr_6pqf 1
. 9 . 1611 . 1 1 2 CYS C C 5.494 -1.169 -1.707 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_6pqf 1
. 9 . 1612 . 1 1 2 CYS CA C 4.752 -1.977 -0.647 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_6pqf 1
. 9 . 1613 . 1 1 2 CYS CB C 4.414 -3.366 -1.192 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_6pqf 1
. 9 . 1614 . 1 1 2 CYS H H 2.713 -1.417 -0.740 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_6pqf 1
. 9 . 1615 . 1 1 2 CYS HA H 5.390 -2.085 0.218 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_6pqf 1
. 9 . 1616 . 1 1 2 CYS HB2 H 3.519 -3.726 -0.706 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_6pqf 1
. 9 . 1617 . 1 1 2 CYS HB3 H 4.236 -3.293 -2.255 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_6pqf 1
. 9 . 1618 . 1 1 2 CYS N N 3.538 -1.289 -0.225 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_6pqf 1
. 9 . 1619 . 1 1 2 CYS O O 4.896 -0.364 -2.420 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_6pqf 1
. 9 . 1620 . 1 1 2 CYS SG S 5.722 -4.606 -0.931 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_6pqf 1
. 9 . 1621 . 1 1 3 GLY C C 7.728 -1.426 -4.091 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6pqf 1
. 9 . 1622 . 1 1 3 GLY CA C 7.604 -0.675 -2.780 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6pqf 1
. 9 . 1623 . 1 1 3 GLY H H 7.225 -2.044 -1.209 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6pqf 1
. 9 . 1624 . 1 1 3 GLY HA2 H 7.150 0.286 -2.969 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6pqf 1
. 9 . 1625 . 1 1 3 GLY HA3 H 8.592 -0.521 -2.372 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6pqf 1
. 9 . 1626 . 1 1 3 GLY N N 6.802 -1.390 -1.805 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6pqf 1
. 9 . 1627 . 1 1 3 GLY O O 8.056 -0.851 -5.129 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6pqf 1
. 9 . 1628 . 1 1 4 . C C 8.955 -3.419 -5.943 . . . 1.0 . . . . . . . . . . . . A . 4 DBB C . . . . . . . . . rr_6pqf 1
. 9 . 1629 . 1 1 4 . CA C 7.573 -3.506 -5.271 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CA . . . . . . . . . rr_6pqf 1
. 9 . 1630 . 1 1 4 . CB C 7.192 -4.963 -4.941 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CB . . . . . . . . . rr_6pqf 1
. 9 . 1631 . 1 1 4 . CG C 7.077 -5.764 -6.228 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CG . . . . . . . . . rr_6pqf 1
. 9 . 1632 . 1 1 4 . H H 7.208 -3.146 -3.205 . . . 1.0 . . . . . . . . . . . . A . 4 DBB H . . . . . . . . . rr_6pqf 1
. 9 . 1633 . 1 1 4 . HA H 6.842 -3.133 -5.960 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HA . . . . . . . . . rr_6pqf 1
. 9 . 1634 . 1 1 4 . HB2 H 6.213 -4.912 -4.514 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HB2 . . . . . . . . . rr_6pqf 1
. 9 . 1635 . 1 1 4 . HG1 H 8.069 -6.012 -6.573 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG1 . . . . . . . . . rr_6pqf 1
. 9 . 1636 . 1 1 4 . HG2 H 6.570 -5.174 -6.976 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG2 . . . . . . . . . rr_6pqf 1
. 9 . 1637 . 1 1 4 . HG3 H 6.523 -6.669 -6.040 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG3 . . . . . . . . . rr_6pqf 1
. 9 . 1638 . 1 1 4 . N N 7.468 -2.719 -4.052 . . . 1.0 . . . . . . . . . . . . A . 4 DBB N . . . . . . . . . rr_6pqf 1
. 9 . 1639 . 1 1 4 . O O 9.011 -3.085 -7.126 . . . 1.0 . . . . . . . . . . . . A . 4 DBB O . . . . . . . . . rr_6pqf 1
. 9 . 1640 . 1 1 5 GLY C C 11.575 -4.463 -6.959 . . . 1.0 . . . . . . . . . . . . A . 5 GLY C . . . . . . . . . rr_6pqf 1
. 9 . 1641 . 1 1 5 GLY CA C 11.364 -3.537 -5.778 . . . 1.0 . . . . . . . . . . . . A . 5 GLY CA . . . . . . . . . rr_6pqf 1
. 9 . 1642 . 1 1 5 GLY H H 9.930 -3.922 -4.269 . . . 1.0 . . . . . . . . . . . . A . 5 GLY H . . . . . . . . . rr_6pqf 1
. 9 . 1643 . 1 1 5 GLY HA2 H 11.513 -2.517 -6.102 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA2 . . . . . . . . . rr_6pqf 1
. 9 . 1644 . 1 1 5 GLY HA3 H 12.094 -3.772 -5.017 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA3 . . . . . . . . . rr_6pqf 1
. 9 . 1645 . 1 1 5 GLY N N 10.036 -3.659 -5.207 . . . 1.0 . . . . . . . . . . . . A . 5 GLY N . . . . . . . . . rr_6pqf 1
. 9 . 1646 . 1 1 5 GLY O O 11.127 -4.243 -8.081 . . . 1.0 . . . . . . . . . . . . A . 5 GLY O . . . . . . . . . rr_6pqf 1
. 9 . 1647 . 1 1 6 . C C 11.270 -7.492 -7.919 . . . 1.0 . . . . . . . . . . . . A . 6 IAS C . . . . . . . . . rr_6pqf 1
. 9 . 1648 . 1 1 6 . CA C 12.468 -6.571 -7.767 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CA . . . . . . . . . rr_6pqf 1
. 9 . 1649 . 1 1 6 . CB C 13.765 -7.388 -7.619 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CB . . . . . . . . . rr_6pqf 1
. 9 . 1650 . 1 1 6 . CG C 13.919 -8.036 -6.250 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CG . . . . . . . . . rr_6pqf 1
. 9 . 1651 . 1 1 6 . H H 12.666 -5.760 -5.820 . . . 1.0 . . . . . . . . . . . . A . 6 IAS H . . . . . . . . . rr_6pqf 1
. 9 . 1652 . 1 1 6 . HA H 12.501 -6.044 -8.713 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HA . . . . . . . . . rr_6pqf 1
. 9 . 1653 . 1 1 6 . HB2 H 14.600 -6.712 -7.726 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HB2 . . . . . . . . . rr_6pqf 1
. 9 . 1654 . 1 1 6 . HB3 H 13.801 -8.130 -8.402 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HB3 . . . . . . . . . rr_6pqf 1
. 9 . 1655 . 1 1 6 . HXT H 11.015 -8.828 -9.289 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HXT . . . . . . . . . rr_6pqf 1
. 9 . 1656 . 1 1 6 . N N 12.298 -5.571 -6.727 . . . 1.0 . . . . . . . . . . . . A . 6 IAS N . . . . . . . . . rr_6pqf 1
. 9 . 1657 . 1 1 6 . O O 10.626 -7.931 -7.001 . . . 1.0 . . . . . . . . . . . . A . 6 IAS O . . . . . . . . . rr_6pqf 1
. 9 . 1658 . 1 1 6 . OD1 O 14.783 -7.666 -5.455 . . . 1.0 . . . . . . . . . . . . A . 6 IAS OD1 . . . . . . . . . rr_6pqf 1
. 9 . 1659 . 1 1 6 . OXT O 11.091 -7.867 -9.195 . . . 1.0 . . . . . . . . . . . . A . 6 IAS OXT . . . . . . . . . rr_6pqf 1
. 9 . 1660 . 1 1 7 GLY C C 11.964 -9.353 -3.803 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . rr_6pqf 1
. 9 . 1661 . 1 1 7 GLY CA C 13.115 -9.724 -4.716 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . rr_6pqf 1
. 9 . 1662 . 1 1 7 GLY H H 12.398 -9.273 -6.657 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . rr_6pqf 1
. 9 . 1663 . 1 1 7 GLY HA2 H 13.084 -10.786 -4.904 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . rr_6pqf 1
. 9 . 1664 . 1 1 7 GLY HA3 H 14.044 -9.483 -4.220 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . rr_6pqf 1
. 9 . 1665 . 1 1 7 GLY N N 13.066 -9.021 -5.985 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . rr_6pqf 1
. 9 . 1666 . 1 1 7 GLY O O 11.806 -9.928 -2.725 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . rr_6pqf 1
. 9 . 1667 . 1 1 8 CYS C C 9.139 -9.120 -3.035 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . rr_6pqf 1
. 9 . 1668 . 1 1 8 CYS CA C 10.014 -7.939 -3.446 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . rr_6pqf 1
. 9 . 1669 . 1 1 8 CYS CB C 9.186 -6.929 -4.242 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . rr_6pqf 1
. 9 . 1670 . 1 1 8 CYS H H 11.334 -7.968 -5.101 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . rr_6pqf 1
. 9 . 1671 . 1 1 8 CYS HA H 10.392 -7.460 -2.556 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . rr_6pqf 1
. 9 . 1672 . 1 1 8 CYS HB2 H 9.850 -6.327 -4.846 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . rr_6pqf 1
. 9 . 1673 . 1 1 8 CYS HB3 H 8.505 -7.463 -4.889 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . rr_6pqf 1
. 9 . 1674 . 1 1 8 CYS N N 11.157 -8.389 -4.233 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . rr_6pqf 1
. 9 . 1675 . 1 1 8 CYS O O 9.222 -10.200 -3.618 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . rr_6pqf 1
. 9 . 1676 . 1 1 8 CYS SG S 8.200 -5.798 -3.209 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . rr_6pqf 1
. 9 . 1677 . 1 1 9 ALA C C 6.544 -10.503 -2.665 . . . 1.0 . . . . . . . . . . . . A . 9 ALA C . . . . . . . . . rr_6pqf 1
. 9 . 1678 . 1 1 9 ALA CA C 7.409 -9.949 -1.538 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CA . . . . . . . . . rr_6pqf 1
. 9 . 1679 . 1 1 9 ALA CB C 6.536 -9.414 -0.413 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CB . . . . . . . . . rr_6pqf 1
. 9 . 1680 . 1 1 9 ALA H H 8.282 -8.022 -1.601 . . . 1.0 . . . . . . . . . . . . A . 9 ALA H . . . . . . . . . rr_6pqf 1
. 9 . 1681 . 1 1 9 ALA HA H 8.018 -10.748 -1.139 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HA . . . . . . . . . rr_6pqf 1
. 9 . 1682 . 1 1 9 ALA HB1 H 7.083 -8.665 0.142 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB1 . . . . . . . . . rr_6pqf 1
. 9 . 1683 . 1 1 9 ALA HB2 H 5.643 -8.972 -0.830 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB2 . . . . . . . . . rr_6pqf 1
. 9 . 1684 . 1 1 9 ALA HB3 H 6.263 -10.223 0.247 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB3 . . . . . . . . . rr_6pqf 1
. 9 . 1685 . 1 1 9 ALA N N 8.301 -8.905 -2.026 . . . 1.0 . . . . . . . . . . . . A . 9 ALA N . . . . . . . . . rr_6pqf 1
. 9 . 1686 . 1 1 9 ALA O O 6.359 -9.855 -3.695 . . . 1.0 . . . . . . . . . . . . A . 9 ALA O . . . . . . . . . rr_6pqf 1
. 9 . 1687 . 1 1 10 LYS C C 3.738 -12.485 -2.953 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_6pqf 1
. 9 . 1688 . 1 1 10 LYS CA C 5.169 -12.347 -3.461 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_6pqf 1
. 9 . 1689 . 1 1 10 LYS CB C 5.728 -13.725 -3.824 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_6pqf 1
. 9 . 1690 . 1 1 10 LYS CD C 5.144 -14.877 -1.669 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_6pqf 1
. 9 . 1691 . 1 1 10 LYS CE C 5.490 -16.129 -0.878 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_6pqf 1
. 9 . 1692 . 1 1 10 LYS CG C 6.259 -14.499 -2.630 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_6pqf 1
. 9 . 1693 . 1 1 10 LYS H H 6.200 -12.172 -1.620 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_6pqf 1
. 9 . 1694 . 1 1 10 LYS HA H 5.167 -11.725 -4.343 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_6pqf 1
. 9 . 1695 . 1 1 10 LYS HB2 H 4.944 -14.308 -4.285 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_6pqf 1
. 9 . 1696 . 1 1 10 LYS HB3 H 6.534 -13.598 -4.531 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_6pqf 1
. 9 . 1697 . 1 1 10 LYS HD2 H 4.984 -14.061 -0.979 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_6pqf 1
. 9 . 1698 . 1 1 10 LYS HD3 H 4.240 -15.056 -2.233 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_6pqf 1
. 9 . 1699 . 1 1 10 LYS HE2 H 5.530 -16.967 -1.556 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_6pqf 1
. 9 . 1700 . 1 1 10 LYS HE3 H 6.457 -15.991 -0.417 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_6pqf 1
. 9 . 1701 . 1 1 10 LYS HG2 H 6.737 -15.402 -2.981 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_6pqf 1
. 9 . 1702 . 1 1 10 LYS HG3 H 6.980 -13.887 -2.107 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_6pqf 1
. 9 . 1703 . 1 1 10 LYS HZ1 H 4.914 -16.975 0.943 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . rr_6pqf 1
. 9 . 1704 . 1 1 10 LYS HZ2 H 3.683 -16.941 -0.216 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . rr_6pqf 1
. 9 . 1705 . 1 1 10 LYS HZ3 H 4.128 -15.519 0.585 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_6pqf 1
. 9 . 1706 . 1 1 10 LYS N N 6.016 -11.705 -2.463 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_6pqf 1
. 9 . 1707 . 1 1 10 LYS NZ N 4.483 -16.410 0.183 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_6pqf 1
. 9 . 1708 . 1 1 10 LYS O O 3.438 -12.200 -1.792 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_6pqf 1
. 9 . 1709 . 1 1 11 . C C 0.860 -11.809 -2.787 . . . 1.0 . . . . . . . . . . . . A . 11 DBB C . . . . . . . . . rr_6pqf 1
. 9 . 1710 . 1 1 11 . CA C 1.463 -13.079 -3.414 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CA . . . . . . . . . rr_6pqf 1
. 9 . 1711 . 1 1 11 . CB C 0.648 -13.554 -4.633 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CB . . . . . . . . . rr_6pqf 1
. 9 . 1712 . 1 1 11 . CG C -0.755 -13.936 -4.191 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CG . . . . . . . . . rr_6pqf 1
. 9 . 1713 . 1 1 11 . H H 3.124 -13.143 -4.743 . . . 1.0 . . . . . . . . . . . . A . 11 DBB H . . . . . . . . . rr_6pqf 1
. 9 . 1714 . 1 1 11 . HA H 1.428 -13.862 -2.682 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HA . . . . . . . . . rr_6pqf 1
. 9 . 1715 . 1 1 11 . HB2 H 1.128 -14.449 -4.966 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HB2 . . . . . . . . . rr_6pqf 1
. 9 . 1716 . 1 1 11 . HG1 H -1.282 -14.363 -5.032 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG1 . . . . . . . . . rr_6pqf 1
. 9 . 1717 . 1 1 11 . HG2 H -1.278 -13.056 -3.846 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG2 . . . . . . . . . rr_6pqf 1
. 9 . 1718 . 1 1 11 . HG3 H -0.697 -14.661 -3.396 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG3 . . . . . . . . . rr_6pqf 1
. 9 . 1719 . 1 1 11 . N N 2.850 -12.925 -3.823 . . . 1.0 . . . . . . . . . . . . A . 11 DBB N . . . . . . . . . rr_6pqf 1
. 9 . 1720 . 1 1 11 . O O 1.242 -10.713 -3.199 . . . 1.0 . . . . . . . . . . . . A . 11 DBB O . . . . . . . . . rr_6pqf 1
. 9 . 1721 . 1 1 12 CYS C C 0.158 -10.134 -0.217 . . . 1.0 . . . . . . . . . . . . A . 12 CYS C . . . . . . . . . rr_6pqf 1
. 9 . 1722 . 1 1 12 CYS CA C -0.740 -10.788 -1.263 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CA . . . . . . . . . rr_6pqf 1
. 9 . 1723 . 1 1 12 CYS CB C -2.067 -11.203 -0.625 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CB . . . . . . . . . rr_6pqf 1
. 9 . 1724 . 1 1 12 CYS H H -0.345 -12.845 -1.574 . . . 1.0 . . . . . . . . . . . . A . 12 CYS H . . . . . . . . . rr_6pqf 1
. 9 . 1725 . 1 1 12 CYS HA H -0.935 -10.074 -2.049 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HA . . . . . . . . . rr_6pqf 1
. 9 . 1726 . 1 1 12 CYS HB2 H -2.640 -11.772 -1.342 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB2 . . . . . . . . . rr_6pqf 1
. 9 . 1727 . 1 1 12 CYS HB3 H -1.865 -11.820 0.238 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB3 . . . . . . . . . rr_6pqf 1
. 9 . 1728 . 1 1 12 CYS N N -0.083 -11.944 -1.862 . . . 1.0 . . . . . . . . . . . . A . 12 CYS N . . . . . . . . . rr_6pqf 1
. 9 . 1729 . 1 1 12 CYS O O -0.208 -10.031 0.953 . . . 1.0 . . . . . . . . . . . . A . 12 CYS O . . . . . . . . . rr_6pqf 1
. 9 . 1730 . 1 1 12 CYS SG S -3.098 -9.804 -0.078 . . . 1.0 . . . . . . . . . . . . A . 12 CYS SG . . . . . . . . . rr_6pqf 1
. 9 . 1731 . 1 1 13 ALA C C 2.749 -7.708 -0.313 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . rr_6pqf 1
. 9 . 1732 . 1 1 13 ALA CA C 2.285 -9.047 0.249 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . rr_6pqf 1
. 9 . 1733 . 1 1 13 ALA CB C 3.478 -9.958 0.501 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . rr_6pqf 1
. 9 . 1734 . 1 1 13 ALA H H 1.571 -9.804 -1.593 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . rr_6pqf 1
. 9 . 1735 . 1 1 13 ALA HA H 1.788 -8.877 1.194 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . rr_6pqf 1
. 9 . 1736 . 1 1 13 ALA HB1 H 3.166 -10.801 1.101 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . rr_6pqf 1
. 9 . 1737 . 1 1 13 ALA HB2 H 3.866 -10.311 -0.443 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . rr_6pqf 1
. 9 . 1738 . 1 1 13 ALA HB3 H 4.246 -9.408 1.023 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . rr_6pqf 1
. 9 . 1739 . 1 1 13 ALA N N 1.336 -9.693 -0.648 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . rr_6pqf 1
. 9 . 1740 . 1 1 13 ALA O O 2.957 -6.764 0.448 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . rr_6pqf 1
. 9 . 1741 . 1 1 14 ALA C C 3.165 -6.714 -3.881 . . . 1.0 . . . . . . . . . . . . A . 14 ALA C . . . . . . . . . rr_6pqf 1
. 9 . 1742 . 1 1 14 ALA CA C 3.332 -6.449 -2.319 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CA . . . . . . . . . rr_6pqf 1
. 9 . 1743 . 1 1 14 ALA CB C 4.744 -6.081 -2.047 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CB . . . . . . . . . rr_6pqf 1
. 9 . 1744 . 1 1 14 ALA H H 2.712 -8.453 -2.148 . . . 1.0 . . . . . . . . . . . . A . 14 ALA H . . . . . . . . . rr_6pqf 1
. 9 . 1745 . 1 1 14 ALA HA H 2.649 -5.649 -2.105 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HA . . . . . . . . . rr_6pqf 1
. 9 . 1746 . 1 1 14 ALA HB1 H 5.269 -6.922 -1.619 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB1 . . . . . . . . . rr_6pqf 1
. 9 . 1747 . 1 1 14 ALA HB2 H 5.192 -5.830 -2.997 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB2 . . . . . . . . . rr_6pqf 1
. 9 . 1748 . 1 1 14 ALA N N 2.902 -7.648 -1.623 . . . 1.0 . . . . . . . . . . . . A . 14 ALA N . . . . . . . . . rr_6pqf 1
. 9 . 1749 . 1 1 14 ALA O O 2.747 -5.830 -4.630 . . . 1.0 . . . . . . . . . . . . A . 14 ALA O . . . . . . . . . rr_6pqf 1
. 9 . 1750 . 1 1 15 SER C C 1.985 -8.408 -6.169 . . . 1.0 . . . . . . . . . . . . A . 15 SER C . . . . . . . . . rr_6pqf 1
. 9 . 1751 . 1 1 15 SER CA C 3.438 -8.282 -5.723 . . . 1.0 . . . . . . . . . . . . A . 15 SER CA . . . . . . . . . rr_6pqf 1
. 9 . 1752 . 1 1 15 SER CB C 4.177 -9.597 -5.977 . . . 1.0 . . . . . . . . . . . . A . 15 SER CB . . . . . . . . . rr_6pqf 1
. 9 . 1753 . 1 1 15 SER H H 3.844 -8.582 -3.667 . . . 1.0 . . . . . . . . . . . . A . 15 SER H . . . . . . . . . rr_6pqf 1
. 9 . 1754 . 1 1 15 SER HA H 3.911 -7.497 -6.294 . . . 1.0 . . . . . . . . . . . . A . 15 SER HA . . . . . . . . . rr_6pqf 1
. 9 . 1755 . 1 1 15 SER HB2 H 4.098 -10.226 -5.103 . . . 1.0 . . . . . . . . . . . . A . 15 SER HB2 . . . . . . . . . rr_6pqf 1
. 9 . 1756 . 1 1 15 SER HB3 H 3.733 -10.099 -6.824 . . . 1.0 . . . . . . . . . . . . A . 15 SER HB3 . . . . . . . . . rr_6pqf 1
. 9 . 1757 . 1 1 15 SER HG H 5.971 -10.195 -6.489 . . . 1.0 . . . . . . . . . . . . A . 15 SER HG . . . . . . . . . rr_6pqf 1
. 9 . 1758 . 1 1 15 SER N N 3.518 -7.920 -4.313 . . . 1.0 . . . . . . . . . . . . A . 15 SER N . . . . . . . . . rr_6pqf 1
. 9 . 1759 . 1 1 15 SER O O 1.480 -7.576 -6.924 . . . 1.0 . . . . . . . . . . . . A . 15 SER O . . . . . . . . . rr_6pqf 1
. 9 . 1760 . 1 1 15 SER OG O 5.549 -9.367 -6.250 . . . 1.0 . . . . . . . . . . . . A . 15 SER OG . . . . . . . . . rr_6pqf 1
. 9 . 1761 . 1 1 16 CYS C C -1.005 -8.795 -5.230 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . rr_6pqf 1
. 9 . 1762 . 1 1 16 CYS CA C -0.079 -9.693 -6.046 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . rr_6pqf 1
. 9 . 1763 . 1 1 16 CYS CB C -0.441 -11.161 -5.816 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . rr_6pqf 1
. 9 . 1764 . 1 1 16 CYS H H 1.773 -10.084 -5.099 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . rr_6pqf 1
. 9 . 1765 . 1 1 16 CYS HA H -0.204 -9.460 -7.093 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . rr_6pqf 1
. 9 . 1766 . 1 1 16 CYS HB2 H -0.567 -11.331 -4.756 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . rr_6pqf 1
. 9 . 1767 . 1 1 16 CYS HB3 H -1.370 -11.379 -6.322 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . rr_6pqf 1
. 9 . 1768 . 1 1 16 CYS N N 1.316 -9.455 -5.697 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . rr_6pqf 1
. 9 . 1769 . 1 1 16 CYS O O -0.673 -8.394 -4.115 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . rr_6pqf 1
. 9 . 1770 . 1 1 16 CYS SG S 0.810 -12.339 -6.420 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . rr_6pqf 1
. 9 . 1771 . 1 1 17 ALA C C -4.295 -8.463 -4.561 . . . 1.0 . . . . . . . . . . . . A . 17 ALA C . . . . . . . . . rr_6pqf 1
. 9 . 1772 . 1 1 17 ALA CA C -3.142 -7.636 -5.119 . . . 1.0 . . . . . . . . . . . . A . 17 ALA CA . . . . . . . . . rr_6pqf 1
. 9 . 1773 . 1 1 17 ALA CB C -3.665 -6.572 -6.072 . . . 1.0 . . . . . . . . . . . . A . 17 ALA CB . . . . . . . . . rr_6pqf 1
. 9 . 1774 . 1 1 17 ALA H H -2.375 -8.834 -6.686 . . . 1.0 . . . . . . . . . . . . A . 17 ALA H . . . . . . . . . rr_6pqf 1
. 9 . 1775 . 1 1 17 ALA HA H -2.641 -7.138 -4.301 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HA . . . . . . . . . rr_6pqf 1
. 9 . 1776 . 1 1 17 ALA HB1 H -3.146 -5.641 -5.890 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB1 . . . . . . . . . rr_6pqf 1
. 9 . 1777 . 1 1 17 ALA HB2 H -3.496 -6.886 -7.091 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB2 . . . . . . . . . rr_6pqf 1
. 9 . 1778 . 1 1 17 ALA HB3 H -4.723 -6.432 -5.908 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB3 . . . . . . . . . rr_6pqf 1
. 9 . 1779 . 1 1 17 ALA N N -2.167 -8.484 -5.794 . . . 1.0 . . . . . . . . . . . . A . 17 ALA N . . . . . . . . . rr_6pqf 1
. 9 . 1780 . 1 1 17 ALA O O -5.347 -8.549 -5.194 . . . 1.0 . . . . . . . . . . . . A . 17 ALA O . . . . . . . . . rr_6pqf 1
. 9 . 1781 . 1 1 18 ALA C C -6.430 -9.032 -2.671 . . . 1.0 . . . . . . . . . . . . A . 18 ALA C . . . . . . . . . rr_6pqf 1
. 9 . 1782 . 1 1 18 ALA CA C -5.076 -9.870 -2.728 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CA . . . . . . . . . rr_6pqf 1
. 9 . 1783 . 1 1 18 ALA CB C -4.693 -10.250 -1.345 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CB . . . . . . . . . rr_6pqf 1
. 9 . 1784 . 1 1 18 ALA H H -3.211 -8.924 -2.969 . . . 1.0 . . . . . . . . . . . . A . 18 ALA H . . . . . . . . . rr_6pqf 1
. 9 . 1785 . 1 1 18 ALA HA H -5.309 -10.720 -3.341 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HA . . . . . . . . . rr_6pqf 1
. 9 . 1786 . 1 1 18 ALA HB1 H -5.479 -9.978 -0.656 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB1 . . . . . . . . . rr_6pqf 1
. 9 . 1787 . 1 1 18 ALA HB2 H -4.570 -11.323 -1.337 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB2 . . . . . . . . . rr_6pqf 1
. 9 . 1788 . 1 1 18 ALA N N -4.082 -9.051 -3.399 . . . 1.0 . . . . . . . . . . . . A . 18 ALA N . . . . . . . . . rr_6pqf 1
. 9 . 1789 . 1 1 18 ALA O O -6.564 -8.102 -1.876 . . . 1.0 . . . . . . . . . . . . A . 18 ALA O . . . . . . . . . rr_6pqf 1
. 9 . 1790 . 1 1 19 SER C C -9.549 -9.073 -2.434 . . . 1.0 . . . . . . . . . . . . A . 19 SER C . . . . . . . . . rr_6pqf 1
. 9 . 1791 . 1 1 19 SER CA C -8.651 -8.684 -3.605 . . . 1.0 . . . . . . . . . . . . A . 19 SER CA . . . . . . . . . rr_6pqf 1
. 9 . 1792 . 1 1 19 SER CB C -9.356 -8.991 -4.927 . . . 1.0 . . . . . . . . . . . . A . 19 SER CB . . . . . . . . . rr_6pqf 1
. 9 . 1793 . 1 1 19 SER H H -7.209 -10.137 -4.145 . . . 1.0 . . . . . . . . . . . . A . 19 SER H . . . . . . . . . rr_6pqf 1
. 9 . 1794 . 1 1 19 SER HA H -8.449 -7.624 -3.552 . . . 1.0 . . . . . . . . . . . . A . 19 SER HA . . . . . . . . . rr_6pqf 1
. 9 . 1795 . 1 1 19 SER HB2 H -10.000 -9.848 -4.799 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB2 . . . . . . . . . rr_6pqf 1
. 9 . 1796 . 1 1 19 SER HB3 H -9.948 -8.137 -5.223 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB3 . . . . . . . . . rr_6pqf 1
. 9 . 1797 . 1 1 19 SER HG H -8.147 -10.193 -5.892 . . . 1.0 . . . . . . . . . . . . A . 19 SER HG . . . . . . . . . rr_6pqf 1
. 9 . 1798 . 1 1 19 SER N N -7.375 -9.386 -3.536 . . . 1.0 . . . . . . . . . . . . A . 19 SER N . . . . . . . . . rr_6pqf 1
. 9 . 1799 . 1 1 19 SER O O -9.921 -10.236 -2.285 . . . 1.0 . . . . . . . . . . . . A . 19 SER O . . . . . . . . . rr_6pqf 1
. 9 . 1800 . 1 1 19 SER OG O -8.418 -9.274 -5.951 . . . 1.0 . . . . . . . . . . . . A . 19 SER OG . . . . . . . . . rr_6pqf 1
. 10 . 1801 . 1 1 1 ALA C C 5.466 -0.324 0.376 . . . 1.0 . . . . . . . . . . . . A . 1 ALA C . . . . . . . . . rr_6pqf 1
. 10 . 1802 . 1 1 1 ALA CA C 4.895 0.730 1.320 . . . 1.0 . . . . . . . . . . . . A . 1 ALA CA . . . . . . . . . rr_6pqf 1
. 10 . 1803 . 1 1 1 ALA CB C 5.514 2.090 1.032 . . . 1.0 . . . . . . . . . . . . A . 1 ALA CB . . . . . . . . . rr_6pqf 1
. 10 . 1804 . 1 1 1 ALA H1 H 5.639 0.953 3.288 . . . 1.0 . . . . . . . . . . . . A . 1 ALA H1 . . . . . . . . . rr_6pqf 1
. 10 . 1805 . 1 1 1 ALA HA H 3.830 0.804 1.157 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HA . . . . . . . . . rr_6pqf 1
. 10 . 1806 . 1 1 1 ALA HB1 H 4.742 2.845 1.047 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB1 . . . . . . . . . rr_6pqf 1
. 10 . 1807 . 1 1 1 ALA HB2 H 6.254 2.315 1.785 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB2 . . . . . . . . . rr_6pqf 1
. 10 . 1808 . 1 1 1 ALA HB3 H 5.983 2.073 0.060 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB3 . . . . . . . . . rr_6pqf 1
. 10 . 1809 . 1 1 1 ALA N N 5.113 0.360 2.713 . . . 1.0 . . . . . . . . . . . . A . 1 ALA N . . . . . . . . . rr_6pqf 1
. 10 . 1810 . 1 1 1 ALA O O 6.670 -0.583 0.375 . . . 1.0 . . . . . . . . . . . . A . 1 ALA O . . . . . . . . . rr_6pqf 1
. 10 . 1811 . 1 1 2 CYS C C 4.709 -1.528 -2.805 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_6pqf 1
. 10 . 1812 . 1 1 2 CYS CA C 5.013 -1.955 -1.372 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_6pqf 1
. 10 . 1813 . 1 1 2 CYS CB C 4.311 -3.279 -1.063 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_6pqf 1
. 10 . 1814 . 1 1 2 CYS H H 3.648 -0.679 -0.377 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_6pqf 1
. 10 . 1815 . 1 1 2 CYS HA H 6.078 -2.090 -1.268 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_6pqf 1
. 10 . 1816 . 1 1 2 CYS HB2 H 3.722 -3.165 -0.165 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_6pqf 1
. 10 . 1817 . 1 1 2 CYS HB3 H 3.659 -3.533 -1.886 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_6pqf 1
. 10 . 1818 . 1 1 2 CYS N N 4.596 -0.929 -0.424 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_6pqf 1
. 10 . 1819 . 1 1 2 CYS O O 3.805 -0.730 -3.048 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_6pqf 1
. 10 . 1820 . 1 1 2 CYS SG S 5.447 -4.680 -0.803 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_6pqf 1
. 10 . 1821 . 1 1 3 GLY C C 6.260 -2.423 -6.062 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6pqf 1
. 10 . 1822 . 1 1 3 GLY CA C 5.269 -1.730 -5.149 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6pqf 1
. 10 . 1823 . 1 1 3 GLY H H 6.178 -2.697 -3.499 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6pqf 1
. 10 . 1824 . 1 1 3 GLY HA2 H 4.269 -2.018 -5.436 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6pqf 1
. 10 . 1825 . 1 1 3 GLY HA3 H 5.373 -0.661 -5.268 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6pqf 1
. 10 . 1826 . 1 1 3 GLY N N 5.472 -2.067 -3.752 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6pqf 1
. 10 . 1827 . 1 1 3 GLY O O 6.852 -1.806 -6.949 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6pqf 1
. 10 . 1828 . 1 1 4 . C C 8.830 -3.893 -6.613 . . . 1.0 . . . . . . . . . . . . A . 4 DBB C . . . . . . . . . rr_6pqf 1
. 10 . 1829 . 1 1 4 . CA C 7.393 -4.440 -6.684 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CA . . . . . . . . . rr_6pqf 1
. 10 . 1830 . 1 1 4 . CB C 7.332 -5.931 -6.294 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CB . . . . . . . . . rr_6pqf 1
. 10 . 1831 . 1 1 4 . CG C 8.137 -6.752 -7.288 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CG . . . . . . . . . rr_6pqf 1
. 10 . 1832 . 1 1 4 . H H 5.961 -4.172 -5.133 . . . 1.0 . . . . . . . . . . . . A . 4 DBB H . . . . . . . . . rr_6pqf 1
. 10 . 1833 . 1 1 4 . HA H 7.055 -4.362 -7.698 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HA . . . . . . . . . rr_6pqf 1
. 10 . 1834 . 1 1 4 . HB2 H 6.308 -6.213 -6.409 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HB2 . . . . . . . . . rr_6pqf 1
. 10 . 1835 . 1 1 4 . HG1 H 8.411 -7.688 -6.826 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG1 . . . . . . . . . rr_6pqf 1
. 10 . 1836 . 1 1 4 . HG2 H 9.029 -6.210 -7.565 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG2 . . . . . . . . . rr_6pqf 1
. 10 . 1837 . 1 1 4 . HG3 H 7.539 -6.942 -8.165 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG3 . . . . . . . . . rr_6pqf 1
. 10 . 1838 . 1 1 4 . N N 6.451 -3.711 -5.851 . . . 1.0 . . . . . . . . . . . . A . 4 DBB N . . . . . . . . . rr_6pqf 1
. 10 . 1839 . 1 1 4 . O O 9.432 -3.687 -7.666 . . . 1.0 . . . . . . . . . . . . A . 4 DBB O . . . . . . . . . rr_6pqf 1
. 10 . 1840 . 1 1 5 GLY C C 11.728 -3.878 -6.010 . . . 1.0 . . . . . . . . . . . . A . 5 GLY C . . . . . . . . . rr_6pqf 1
. 10 . 1841 . 1 1 5 GLY CA C 10.677 -3.049 -5.299 . . . 1.0 . . . . . . . . . . . . A . 5 GLY CA . . . . . . . . . rr_6pqf 1
. 10 . 1842 . 1 1 5 GLY H H 8.821 -3.803 -4.613 . . . 1.0 . . . . . . . . . . . . A . 5 GLY H . . . . . . . . . rr_6pqf 1
. 10 . 1843 . 1 1 5 GLY HA2 H 10.670 -2.055 -5.721 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA2 . . . . . . . . . rr_6pqf 1
. 10 . 1844 . 1 1 5 GLY HA3 H 10.935 -2.983 -4.252 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA3 . . . . . . . . . rr_6pqf 1
. 10 . 1845 . 1 1 5 GLY N N 9.347 -3.618 -5.419 . . . 1.0 . . . . . . . . . . . . A . 5 GLY N . . . . . . . . . rr_6pqf 1
. 10 . 1846 . 1 1 5 GLY O O 12.194 -3.584 -7.107 . . . 1.0 . . . . . . . . . . . . A . 5 GLY O . . . . . . . . . rr_6pqf 1
. 10 . 1847 . 1 1 6 . C C 12.371 -7.055 -6.701 . . . 1.0 . . . . . . . . . . . . A . 6 IAS C . . . . . . . . . rr_6pqf 1
. 10 . 1848 . 1 1 6 . CA C 13.076 -5.897 -6.017 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CA . . . . . . . . . rr_6pqf 1
. 10 . 1849 . 1 1 6 . CB C 14.175 -6.414 -5.071 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CB . . . . . . . . . rr_6pqf 1
. 10 . 1850 . 1 1 6 . CG C 13.631 -7.019 -3.783 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CG . . . . . . . . . rr_6pqf 1
. 10 . 1851 . 1 1 6 . H H 11.776 -5.231 -4.482 . . . 1.0 . . . . . . . . . . . . A . 6 IAS H . . . . . . . . . rr_6pqf 1
. 10 . 1852 . 1 1 6 . HA H 13.548 -5.353 -6.826 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HA . . . . . . . . . rr_6pqf 1
. 10 . 1853 . 1 1 6 . HB2 H 14.782 -5.572 -4.772 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HB2 . . . . . . . . . rr_6pqf 1
. 10 . 1854 . 1 1 6 . HB3 H 14.786 -7.127 -5.602 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HB3 . . . . . . . . . rr_6pqf 1
. 10 . 1855 . 1 1 6 . HXT H 11.892 -6.828 -8.557 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HXT . . . . . . . . . rr_6pqf 1
. 10 . 1856 . 1 1 6 . N N 12.147 -4.984 -5.373 . . . 1.0 . . . . . . . . . . . . A . 6 IAS N . . . . . . . . . rr_6pqf 1
. 10 . 1857 . 1 1 6 . O O 11.736 -7.903 -6.127 . . . 1.0 . . . . . . . . . . . . A . 6 IAS O . . . . . . . . . rr_6pqf 1
. 10 . 1858 . 1 1 6 . OD1 O 13.246 -6.314 -2.852 . . . 1.0 . . . . . . . . . . . . A . 6 IAS OD1 . . . . . . . . . rr_6pqf 1
. 10 . 1859 . 1 1 6 . OXT O 12.647 -7.099 -8.013 . . . 1.0 . . . . . . . . . . . . A . 6 IAS OXT . . . . . . . . . rr_6pqf 1
. 10 . 1860 . 1 1 7 GLY C C 11.689 -8.681 -2.231 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . rr_6pqf 1
. 10 . 1861 . 1 1 7 GLY CA C 13.121 -9.046 -2.567 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . rr_6pqf 1
. 10 . 1862 . 1 1 7 GLY H H 13.930 -8.858 -4.515 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . rr_6pqf 1
. 10 . 1863 . 1 1 7 GLY HA2 H 13.180 -10.109 -2.743 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . rr_6pqf 1
. 10 . 1864 . 1 1 7 GLY HA3 H 13.751 -8.795 -1.725 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . rr_6pqf 1
. 10 . 1865 . 1 1 7 GLY N N 13.610 -8.348 -3.742 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . rr_6pqf 1
. 10 . 1866 . 1 1 7 GLY O O 11.237 -8.885 -1.103 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . rr_6pqf 1
. 10 . 1867 . 1 1 8 CYS C C 8.769 -8.891 -2.422 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . rr_6pqf 1
. 10 . 1868 . 1 1 8 CYS CA C 9.583 -7.744 -3.013 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . rr_6pqf 1
. 10 . 1869 . 1 1 8 CYS CB C 8.966 -7.295 -4.339 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . rr_6pqf 1
. 10 . 1870 . 1 1 8 CYS H H 11.388 -8.002 -4.087 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . rr_6pqf 1
. 10 . 1871 . 1 1 8 CYS HA H 9.569 -6.916 -2.321 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . rr_6pqf 1
. 10 . 1872 . 1 1 8 CYS HB2 H 9.689 -6.705 -4.883 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . rr_6pqf 1
. 10 . 1873 . 1 1 8 CYS HB3 H 8.710 -8.168 -4.921 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . rr_6pqf 1
. 10 . 1874 . 1 1 8 CYS N N 10.972 -8.140 -3.210 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . rr_6pqf 1
. 10 . 1875 . 1 1 8 CYS O O 9.055 -10.062 -2.673 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . rr_6pqf 1
. 10 . 1876 . 1 1 8 CYS SG S 7.459 -6.288 -4.154 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . rr_6pqf 1
. 10 . 1877 . 1 1 9 ALA C C 6.101 -10.319 -2.060 . . . 1.0 . . . . . . . . . . . . A . 9 ALA C . . . . . . . . . rr_6pqf 1
. 10 . 1878 . 1 1 9 ALA CA C 6.897 -9.547 -1.013 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CA . . . . . . . . . rr_6pqf 1
. 10 . 1879 . 1 1 9 ALA CB C 5.957 -8.888 -0.014 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CB . . . . . . . . . rr_6pqf 1
. 10 . 1880 . 1 1 9 ALA H H 7.576 -7.597 -1.475 . . . 1.0 . . . . . . . . . . . . A . 9 ALA H . . . . . . . . . rr_6pqf 1
. 10 . 1881 . 1 1 9 ALA HA H 7.529 -10.238 -0.474 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HA . . . . . . . . . rr_6pqf 1
. 10 . 1882 . 1 1 9 ALA HB1 H 5.006 -8.697 -0.488 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB1 . . . . . . . . . rr_6pqf 1
. 10 . 1883 . 1 1 9 ALA HB2 H 5.814 -9.544 0.832 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB2 . . . . . . . . . rr_6pqf 1
. 10 . 1884 . 1 1 9 ALA HB3 H 6.386 -7.956 0.322 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB3 . . . . . . . . . rr_6pqf 1
. 10 . 1885 . 1 1 9 ALA N N 7.754 -8.547 -1.637 . . . 1.0 . . . . . . . . . . . . A . 9 ALA N . . . . . . . . . rr_6pqf 1
. 10 . 1886 . 1 1 9 ALA O O 5.648 -9.751 -3.054 . . . 1.0 . . . . . . . . . . . . A . 9 ALA O . . . . . . . . . rr_6pqf 1
. 10 . 1887 . 1 1 10 LYS C C 3.742 -12.620 -2.309 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_6pqf 1
. 10 . 1888 . 1 1 10 LYS CA C 5.193 -12.468 -2.755 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_6pqf 1
. 10 . 1889 . 1 1 10 LYS CB C 5.854 -13.844 -2.855 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_6pqf 1
. 10 . 1890 . 1 1 10 LYS CD C 4.794 -15.525 -4.392 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_6pqf 1
. 10 . 1891 . 1 1 10 LYS CE C 5.227 -16.586 -5.392 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_6pqf 1
. 10 . 1892 . 1 1 10 LYS CG C 5.836 -14.427 -4.257 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_6pqf 1
. 10 . 1893 . 1 1 10 LYS H H 6.319 -12.013 -1.021 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_6pqf 1
. 10 . 1894 . 1 1 10 LYS HA H 5.211 -11.998 -3.726 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_6pqf 1
. 10 . 1895 . 1 1 10 LYS HB2 H 6.882 -13.761 -2.535 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_6pqf 1
. 10 . 1896 . 1 1 10 LYS HB3 H 5.336 -14.528 -2.197 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_6pqf 1
. 10 . 1897 . 1 1 10 LYS HD2 H 4.650 -15.993 -3.429 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_6pqf 1
. 10 . 1898 . 1 1 10 LYS HD3 H 3.863 -15.088 -4.724 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_6pqf 1
. 10 . 1899 . 1 1 10 LYS HE2 H 4.347 -17.044 -5.815 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_6pqf 1
. 10 . 1900 . 1 1 10 LYS HE3 H 5.798 -16.110 -6.176 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_6pqf 1
. 10 . 1901 . 1 1 10 LYS HG2 H 5.607 -13.641 -4.961 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_6pqf 1
. 10 . 1902 . 1 1 10 LYS HG3 H 6.810 -14.839 -4.479 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_6pqf 1
. 10 . 1903 . 1 1 10 LYS HZ1 H 5.805 -18.576 -5.129 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . rr_6pqf 1
. 10 . 1904 . 1 1 10 LYS HZ2 H 5.918 -17.639 -3.726 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . rr_6pqf 1
. 10 . 1905 . 1 1 10 LYS HZ3 H 7.070 -17.466 -4.952 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_6pqf 1
. 10 . 1906 . 1 1 10 LYS N N 5.934 -11.617 -1.832 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_6pqf 1
. 10 . 1907 . 1 1 10 LYS NZ N 6.064 -17.640 -4.755 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_6pqf 1
. 10 . 1908 . 1 1 10 LYS O O 3.398 -12.377 -1.152 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_6pqf 1
. 10 . 1909 . 1 1 11 . C C 0.853 -11.931 -2.263 . . . 1.0 . . . . . . . . . . . . A . 11 DBB C . . . . . . . . . rr_6pqf 1
. 10 . 1910 . 1 1 11 . CA C 1.487 -13.190 -2.881 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CA . . . . . . . . . rr_6pqf 1
. 10 . 1911 . 1 1 11 . CB C 0.725 -13.652 -4.140 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CB . . . . . . . . . rr_6pqf 1
. 10 . 1912 . 1 1 11 . CG C -0.693 -14.045 -3.762 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CG . . . . . . . . . rr_6pqf 1
. 10 . 1913 . 1 1 11 . H H 3.199 -13.211 -4.144 . . . 1.0 . . . . . . . . . . . . A . 11 DBB H . . . . . . . . . rr_6pqf 1
. 10 . 1914 . 1 1 11 . HA H 1.424 -13.983 -2.162 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HA . . . . . . . . . rr_6pqf 1
. 10 . 1915 . 1 1 11 . HB2 H 1.223 -14.540 -4.464 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HB2 . . . . . . . . . rr_6pqf 1
. 10 . 1916 . 1 1 11 . HG1 H -0.669 -14.583 -2.827 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG1 . . . . . . . . . rr_6pqf 1
. 10 . 1917 . 1 1 11 . HG2 H -1.110 -14.677 -4.532 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG2 . . . . . . . . . rr_6pqf 1
. 10 . 1918 . 1 1 11 . HG3 H -1.296 -13.158 -3.653 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG3 . . . . . . . . . rr_6pqf 1
. 10 . 1919 . 1 1 11 . N N 2.889 -13.025 -3.229 . . . 1.0 . . . . . . . . . . . . A . 11 DBB N . . . . . . . . . rr_6pqf 1
. 10 . 1920 . 1 1 11 . O O 1.344 -10.835 -2.532 . . . 1.0 . . . . . . . . . . . . A . 11 DBB O . . . . . . . . . rr_6pqf 1
. 10 . 1921 . 1 1 12 CYS C C -0.032 -10.215 0.094 . . . 1.0 . . . . . . . . . . . . A . 12 CYS C . . . . . . . . . rr_6pqf 1
. 10 . 1922 . 1 1 12 CYS CA C -0.916 -10.922 -0.930 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CA . . . . . . . . . rr_6pqf 1
. 10 . 1923 . 1 1 12 CYS CB C -2.226 -11.360 -0.272 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CB . . . . . . . . . rr_6pqf 1
. 10 . 1924 . 1 1 12 CYS H H -0.573 -12.973 -1.324 . . . 1.0 . . . . . . . . . . . . A . 12 CYS H . . . . . . . . . rr_6pqf 1
. 10 . 1925 . 1 1 12 CYS HA H -1.138 -10.234 -1.731 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HA . . . . . . . . . rr_6pqf 1
. 10 . 1926 . 1 1 12 CYS HB2 H -2.795 -11.948 -0.978 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB2 . . . . . . . . . rr_6pqf 1
. 10 . 1927 . 1 1 12 CYS HB3 H -2.001 -11.966 0.593 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB3 . . . . . . . . . rr_6pqf 1
. 10 . 1928 . 1 1 12 CYS N N -0.228 -12.072 -1.503 . . . 1.0 . . . . . . . . . . . . A . 12 CYS N . . . . . . . . . rr_6pqf 1
. 10 . 1929 . 1 1 12 CYS O O 0.052 -10.631 1.249 . . . 1.0 . . . . . . . . . . . . A . 12 CYS O . . . . . . . . . rr_6pqf 1
. 10 . 1930 . 1 1 12 CYS SG S -3.282 -9.980 0.275 . . . 1.0 . . . . . . . . . . . . A . 12 CYS SG . . . . . . . . . rr_6pqf 1
. 10 . 1931 . 1 1 13 ALA C C 2.066 -7.157 -0.178 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . rr_6pqf 1
. 10 . 1932 . 1 1 13 ALA CA C 1.499 -8.377 0.540 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . rr_6pqf 1
. 10 . 1933 . 1 1 13 ALA CB C 2.626 -9.257 1.060 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . rr_6pqf 1
. 10 . 1934 . 1 1 13 ALA H H 0.516 -8.861 -1.271 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . rr_6pqf 1
. 10 . 1935 . 1 1 13 ALA HA H 0.915 -8.045 1.386 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . rr_6pqf 1
. 10 . 1936 . 1 1 13 ALA HB1 H 2.256 -9.877 1.863 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . rr_6pqf 1
. 10 . 1937 . 1 1 13 ALA HB2 H 2.992 -9.883 0.260 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . rr_6pqf 1
. 10 . 1938 . 1 1 13 ALA HB3 H 3.428 -8.634 1.426 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . rr_6pqf 1
. 10 . 1939 . 1 1 13 ALA N N 0.624 -9.143 -0.339 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . rr_6pqf 1
. 10 . 1940 . 1 1 13 ALA O O 2.205 -6.098 0.433 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . rr_6pqf 1
. 10 . 1941 . 1 1 14 ALA C C 2.756 -6.707 -3.799 . . . 1.0 . . . . . . . . . . . . A . 14 ALA C . . . . . . . . . rr_6pqf 1
. 10 . 1942 . 1 1 14 ALA CA C 2.927 -6.263 -2.278 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CA . . . . . . . . . rr_6pqf 1
. 10 . 1943 . 1 1 14 ALA CB C 4.363 -5.990 -2.020 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CB . . . . . . . . . rr_6pqf 1
. 10 . 1944 . 1 1 14 ALA H H 2.234 -8.204 -1.851 . . . 1.0 . . . . . . . . . . . . A . 14 ALA H . . . . . . . . . rr_6pqf 1
. 10 . 1945 . 1 1 14 ALA HA H 2.316 -5.386 -2.181 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HA . . . . . . . . . rr_6pqf 1
. 10 . 1946 . 1 1 14 ALA HB1 H 4.857 -6.893 -1.693 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB1 . . . . . . . . . rr_6pqf 1
. 10 . 1947 . 1 1 14 ALA HB2 H 4.795 -5.669 -2.956 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB2 . . . . . . . . . rr_6pqf 1
. 10 . 1948 . 1 1 14 ALA N N 2.381 -7.322 -1.449 . . . 1.0 . . . . . . . . . . . . A . 14 ALA N . . . . . . . . . rr_6pqf 1
. 10 . 1949 . 1 1 14 ALA O O 2.048 -6.058 -4.570 . . . 1.0 . . . . . . . . . . . . A . 14 ALA O . . . . . . . . . rr_6pqf 1
. 10 . 1950 . 1 1 15 SER C C 1.939 -8.525 -5.982 . . . 1.0 . . . . . . . . . . . . A . 15 SER C . . . . . . . . . rr_6pqf 1
. 10 . 1951 . 1 1 15 SER CA C 3.381 -8.284 -5.544 . . . 1.0 . . . . . . . . . . . . A . 15 SER CA . . . . . . . . . rr_6pqf 1
. 10 . 1952 . 1 1 15 SER CB C 4.187 -9.578 -5.671 . . . 1.0 . . . . . . . . . . . . A . 15 SER CB . . . . . . . . . rr_6pqf 1
. 10 . 1953 . 1 1 15 SER H H 3.977 -8.263 -3.513 . . . 1.0 . . . . . . . . . . . . A . 15 SER H . . . . . . . . . rr_6pqf 1
. 10 . 1954 . 1 1 15 SER HA H 3.818 -7.533 -6.185 . . . 1.0 . . . . . . . . . . . . A . 15 SER HA . . . . . . . . . rr_6pqf 1
. 10 . 1955 . 1 1 15 SER HB2 H 4.073 -9.974 -6.668 . . . 1.0 . . . . . . . . . . . . A . 15 SER HB2 . . . . . . . . . rr_6pqf 1
. 10 . 1956 . 1 1 15 SER HB3 H 5.231 -9.368 -5.484 . . . 1.0 . . . . . . . . . . . . A . 15 SER HB3 . . . . . . . . . rr_6pqf 1
. 10 . 1957 . 1 1 15 SER HG H 4.091 -10.343 -3.870 . . . 1.0 . . . . . . . . . . . . A . 15 SER HG . . . . . . . . . rr_6pqf 1
. 10 . 1958 . 1 1 15 SER N N 3.431 -7.789 -4.174 . . . 1.0 . . . . . . . . . . . . A . 15 SER N . . . . . . . . . rr_6pqf 1
. 10 . 1959 . 1 1 15 SER O O 1.435 -7.865 -6.891 . . . 1.0 . . . . . . . . . . . . A . 15 SER O . . . . . . . . . rr_6pqf 1
. 10 . 1960 . 1 1 15 SER OG O 3.743 -10.549 -4.740 . . . 1.0 . . . . . . . . . . . . A . 15 SER OG . . . . . . . . . rr_6pqf 1
. 10 . 1961 . 1 1 16 CYS C C -1.069 -8.927 -4.864 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . rr_6pqf 1
. 10 . 1962 . 1 1 16 CYS CA C -0.103 -9.808 -5.650 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . rr_6pqf 1
. 10 . 1963 . 1 1 16 CYS CB C -0.379 -11.282 -5.348 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . rr_6pqf 1
. 10 . 1964 . 1 1 16 CYS H H 1.736 -9.970 -4.614 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . rr_6pqf 1
. 10 . 1965 . 1 1 16 CYS HA H -0.250 -9.632 -6.705 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . rr_6pqf 1
. 10 . 1966 . 1 1 16 CYS HB2 H -0.490 -11.409 -4.281 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . rr_6pqf 1
. 10 . 1967 . 1 1 16 CYS HB3 H -1.296 -11.576 -5.838 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . rr_6pqf 1
. 10 . 1968 . 1 1 16 CYS N N 1.281 -9.477 -5.330 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . rr_6pqf 1
. 10 . 1969 . 1 1 16 CYS O O -0.764 -8.490 -3.755 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . rr_6pqf 1
. 10 . 1970 . 1 1 16 CYS SG S 0.935 -12.415 -5.905 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . rr_6pqf 1
. 10 . 1971 . 1 1 17 ALA C C -4.393 -8.695 -4.268 . . . 1.0 . . . . . . . . . . . . A . 17 ALA C . . . . . . . . . rr_6pqf 1
. 10 . 1972 . 1 1 17 ALA CA C -3.247 -7.843 -4.802 . . . 1.0 . . . . . . . . . . . . A . 17 ALA CA . . . . . . . . . rr_6pqf 1
. 10 . 1973 . 1 1 17 ALA CB C -3.773 -6.797 -5.774 . . . 1.0 . . . . . . . . . . . . A . 17 ALA CB . . . . . . . . . rr_6pqf 1
. 10 . 1974 . 1 1 17 ALA H H -2.419 -9.046 -6.333 . . . 1.0 . . . . . . . . . . . . A . 17 ALA H . . . . . . . . . rr_6pqf 1
. 10 . 1975 . 1 1 17 ALA HA H -2.779 -7.328 -3.975 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HA . . . . . . . . . rr_6pqf 1
. 10 . 1976 . 1 1 17 ALA HB1 H -4.839 -6.687 -5.640 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB1 . . . . . . . . . rr_6pqf 1
. 10 . 1977 . 1 1 17 ALA HB2 H -3.286 -5.852 -5.583 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB2 . . . . . . . . . rr_6pqf 1
. 10 . 1978 . 1 1 17 ALA HB3 H -3.567 -7.111 -6.786 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB3 . . . . . . . . . rr_6pqf 1
. 10 . 1979 . 1 1 17 ALA N N -2.235 -8.670 -5.448 . . . 1.0 . . . . . . . . . . . . A . 17 ALA N . . . . . . . . . rr_6pqf 1
. 10 . 1980 . 1 1 17 ALA O O -5.420 -8.824 -4.933 . . . 1.0 . . . . . . . . . . . . A . 17 ALA O . . . . . . . . . rr_6pqf 1
. 10 . 1981 . 1 1 18 ALA C C -6.573 -9.300 -2.444 . . . 1.0 . . . . . . . . . . . . A . 18 ALA C . . . . . . . . . rr_6pqf 1
. 10 . 1982 . 1 1 18 ALA CA C -5.191 -10.094 -2.436 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CA . . . . . . . . . rr_6pqf 1
. 10 . 1983 . 1 1 18 ALA CB C -4.846 -10.435 -1.034 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CB . . . . . . . . . rr_6pqf 1
. 10 . 1984 . 1 1 18 ALA H H -3.349 -9.096 -2.633 . . . 1.0 . . . . . . . . . . . . A . 18 ALA H . . . . . . . . . rr_6pqf 1
. 10 . 1985 . 1 1 18 ALA HA H -5.375 -10.963 -3.039 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HA . . . . . . . . . rr_6pqf 1
. 10 . 1986 . 1 1 18 ALA HB1 H -5.645 -10.132 -0.372 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB1 . . . . . . . . . rr_6pqf 1
. 10 . 1987 . 1 1 18 ALA HB2 H -4.737 -11.508 -0.989 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB2 . . . . . . . . . rr_6pqf 1
. 10 . 1988 . 1 1 18 ALA N N -4.201 -9.257 -3.089 . . . 1.0 . . . . . . . . . . . . A . 18 ALA N . . . . . . . . . rr_6pqf 1
. 10 . 1989 . 1 1 18 ALA O O -6.763 -8.357 -1.677 . . . 1.0 . . . . . . . . . . . . A . 18 ALA O . . . . . . . . . rr_6pqf 1
. 10 . 1990 . 1 1 19 SER C C -9.886 -9.928 -2.905 . . . 1.0 . . . . . . . . . . . . A . 19 SER C . . . . . . . . . rr_6pqf 1
. 10 . 1991 . 1 1 19 SER CA C -8.771 -9.046 -3.459 . . . 1.0 . . . . . . . . . . . . A . 19 SER CA . . . . . . . . . rr_6pqf 1
. 10 . 1992 . 1 1 19 SER CB C -9.053 -8.708 -4.924 . . . 1.0 . . . . . . . . . . . . A . 19 SER CB . . . . . . . . . rr_6pqf 1
. 10 . 1993 . 1 1 19 SER H H -7.266 -10.463 -3.916 . . . 1.0 . . . . . . . . . . . . A . 19 SER H . . . . . . . . . rr_6pqf 1
. 10 . 1994 . 1 1 19 SER HA H -8.735 -8.130 -2.888 . . . 1.0 . . . . . . . . . . . . A . 19 SER HA . . . . . . . . . rr_6pqf 1
. 10 . 1995 . 1 1 19 SER HB2 H -8.127 -8.452 -5.416 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB2 . . . . . . . . . rr_6pqf 1
. 10 . 1996 . 1 1 19 SER HB3 H -9.494 -9.566 -5.410 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB3 . . . . . . . . . rr_6pqf 1
. 10 . 1997 . 1 1 19 SER HG H -10.790 -7.920 -5.369 . . . 1.0 . . . . . . . . . . . . A . 19 SER HG . . . . . . . . . rr_6pqf 1
. 10 . 1998 . 1 1 19 SER N N -7.476 -9.705 -3.331 . . . 1.0 . . . . . . . . . . . . A . 19 SER N . . . . . . . . . rr_6pqf 1
. 10 . 1999 . 1 1 19 SER O O -9.886 -11.142 -3.101 . . . 1.0 . . . . . . . . . . . . A . 19 SER O . . . . . . . . . rr_6pqf 1
. 10 . 2000 . 1 1 19 SER OG O -9.946 -7.613 -5.032 . . . 1.0 . . . . . . . . . . . . A . 19 SER OG . . . . . . . . . rr_6pqf 1
. 11 . 2001 . 1 1 1 ALA C C 2.902 -0.402 -0.026 . . . 1.0 . . . . . . . . . . . . A . 1 ALA C . . . . . . . . . rr_6pqf 1
. 11 . 2002 . 1 1 1 ALA CA C 1.582 0.358 -0.087 . . . 1.0 . . . . . . . . . . . . A . 1 ALA CA . . . . . . . . . rr_6pqf 1
. 11 . 2003 . 1 1 1 ALA CB C 1.810 1.840 0.171 . . . 1.0 . . . . . . . . . . . . A . 1 ALA CB . . . . . . . . . rr_6pqf 1
. 11 . 2004 . 1 1 1 ALA H1 H 0.942 -0.503 1.737 . . . 1.0 . . . . . . . . . . . . A . 1 ALA H1 . . . . . . . . . rr_6pqf 1
. 11 . 2005 . 1 1 1 ALA HA H 1.162 0.251 -1.077 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HA . . . . . . . . . rr_6pqf 1
. 11 . 2006 . 1 1 1 ALA HB1 H 1.540 2.073 1.191 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB1 . . . . . . . . . rr_6pqf 1
. 11 . 2007 . 1 1 1 ALA HB2 H 2.852 2.077 0.011 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB2 . . . . . . . . . rr_6pqf 1
. 11 . 2008 . 1 1 1 ALA HB3 H 1.201 2.421 -0.505 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB3 . . . . . . . . . rr_6pqf 1
. 11 . 2009 . 1 1 1 ALA N N 0.622 -0.179 0.869 . . . 1.0 . . . . . . . . . . . . A . 1 ALA N . . . . . . . . . rr_6pqf 1
. 11 . 2010 . 1 1 1 ALA O O 3.533 -0.487 1.029 . . . 1.0 . . . . . . . . . . . . A . 1 ALA O . . . . . . . . . rr_6pqf 1
. 11 . 2011 . 1 1 2 CYS C C 5.556 -1.023 -2.171 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_6pqf 1
. 11 . 2012 . 1 1 2 CYS CA C 4.561 -1.707 -1.237 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_6pqf 1
. 11 . 2013 . 1 1 2 CYS CB C 4.290 -3.133 -1.720 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_6pqf 1
. 11 . 2014 . 1 1 2 CYS H H 2.770 -0.851 -1.970 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_6pqf 1
. 11 . 2015 . 1 1 2 CYS HA H 4.986 -1.747 -0.246 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_6pqf 1
. 11 . 2016 . 1 1 2 CYS HB2 H 3.352 -3.473 -1.304 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_6pqf 1
. 11 . 2017 . 1 1 2 CYS HB3 H 4.221 -3.134 -2.798 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_6pqf 1
. 11 . 2018 . 1 1 2 CYS N N 3.316 -0.953 -1.162 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_6pqf 1
. 11 . 2019 . 1 1 2 CYS O O 5.171 -0.433 -3.180 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_6pqf 1
. 11 . 2020 . 1 1 2 CYS SG S 5.573 -4.336 -1.245 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_6pqf 1
. 11 . 2021 . 1 1 3 GLY C C 8.058 -1.205 -3.969 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6pqf 1
. 11 . 2022 . 1 1 3 GLY CA C 7.867 -0.493 -2.644 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6pqf 1
. 11 . 2023 . 1 1 3 GLY H H 7.085 -1.591 -1.012 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6pqf 1
. 11 . 2024 . 1 1 3 GLY HA2 H 7.594 0.534 -2.836 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6pqf 1
. 11 . 2025 . 1 1 3 GLY HA3 H 8.800 -0.512 -2.101 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6pqf 1
. 11 . 2026 . 1 1 3 GLY N N 6.837 -1.108 -1.827 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6pqf 1
. 11 . 2027 . 1 1 3 GLY O O 8.172 -0.577 -5.022 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6pqf 1
. 11 . 2028 . 1 1 4 . C C 9.763 -3.473 -5.537 . . . 1.0 . . . . . . . . . . . . A . 4 DBB C . . . . . . . . . rr_6pqf 1
. 11 . 2029 . 1 1 4 . CA C 8.285 -3.274 -5.156 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CA . . . . . . . . . rr_6pqf 1
. 11 . 2030 . 1 1 4 . CB C 7.546 -4.621 -5.020 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CB . . . . . . . . . rr_6pqf 1
. 11 . 2031 . 1 1 4 . CG C 7.535 -5.334 -6.362 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CG . . . . . . . . . rr_6pqf 1
. 11 . 2032 . 1 1 4 . H H 8.003 -2.993 -3.065 . . . 1.0 . . . . . . . . . . . . A . 4 DBB H . . . . . . . . . rr_6pqf 1
. 11 . 2033 . 1 1 4 . HA H 7.807 -2.726 -5.944 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HA . . . . . . . . . rr_6pqf 1
. 11 . 2034 . 1 1 4 . HB2 H 6.533 -4.368 -4.789 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HB2 . . . . . . . . . rr_6pqf 1
. 11 . 2035 . 1 1 4 . HG1 H 7.501 -6.399 -6.190 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG1 . . . . . . . . . rr_6pqf 1
. 11 . 2036 . 1 1 4 . HG2 H 8.430 -5.084 -6.911 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG2 . . . . . . . . . rr_6pqf 1
. 11 . 2037 . 1 1 4 . HG3 H 6.666 -5.031 -6.924 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG3 . . . . . . . . . rr_6pqf 1
. 11 . 2038 . 1 1 4 . N N 8.097 -2.523 -3.925 . . . 1.0 . . . . . . . . . . . . A . 4 DBB N . . . . . . . . . rr_6pqf 1
. 11 . 2039 . 1 1 4 . O O 10.147 -3.061 -6.630 . . . 1.0 . . . . . . . . . . . . A . 4 DBB O . . . . . . . . . rr_6pqf 1
. 11 . 2040 . 1 1 5 GLY C C 12.237 -4.846 -6.286 . . . 1.0 . . . . . . . . . . . . A . 5 GLY C . . . . . . . . . rr_6pqf 1
. 11 . 2041 . 1 1 5 GLY CA C 11.990 -4.199 -4.938 . . . 1.0 . . . . . . . . . . . . A . 5 GLY CA . . . . . . . . . rr_6pqf 1
. 11 . 2042 . 1 1 5 GLY H H 10.214 -4.349 -3.794 . . . 1.0 . . . . . . . . . . . . A . 5 GLY H . . . . . . . . . rr_6pqf 1
. 11 . 2043 . 1 1 5 GLY HA2 H 12.462 -3.228 -4.924 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA2 . . . . . . . . . rr_6pqf 1
. 11 . 2044 . 1 1 5 GLY HA3 H 12.434 -4.814 -4.169 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA3 . . . . . . . . . rr_6pqf 1
. 11 . 2045 . 1 1 5 GLY N N 10.577 -4.038 -4.650 . . . 1.0 . . . . . . . . . . . . A . 5 GLY N . . . . . . . . . rr_6pqf 1
. 11 . 2046 . 1 1 5 GLY O O 12.377 -4.211 -7.327 . . . 1.0 . . . . . . . . . . . . A . 5 GLY O . . . . . . . . . rr_6pqf 1
. 11 . 2047 . 1 1 6 . C C 11.101 -7.274 -8.185 . . . 1.0 . . . . . . . . . . . . A . 6 IAS C . . . . . . . . . rr_6pqf 1
. 11 . 2048 . 1 1 6 . CA C 12.433 -6.905 -7.557 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CA . . . . . . . . . rr_6pqf 1
. 11 . 2049 . 1 1 6 . CB C 13.347 -8.141 -7.460 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CB . . . . . . . . . rr_6pqf 1
. 11 . 2050 . 1 1 6 . CG C 12.942 -9.108 -6.356 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CG . . . . . . . . . rr_6pqf 1
. 11 . 2051 . 1 1 6 . H H 12.191 -6.714 -5.461 . . . 1.0 . . . . . . . . . . . . A . 6 IAS H . . . . . . . . . rr_6pqf 1
. 11 . 2052 . 1 1 6 . HA H 12.864 -6.216 -8.274 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HA . . . . . . . . . rr_6pqf 1
. 11 . 2053 . 1 1 6 . HB2 H 14.342 -7.802 -7.210 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HB2 . . . . . . . . . rr_6pqf 1
. 11 . 2054 . 1 1 6 . HB3 H 13.367 -8.637 -8.418 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HB3 . . . . . . . . . rr_6pqf 1
. 11 . 2055 . 1 1 6 . HXT H 11.492 -7.686 -10.030 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HXT . . . . . . . . . rr_6pqf 1
. 11 . 2056 . 1 1 6 . N N 12.303 -6.188 -6.300 . . . 1.0 . . . . . . . . . . . . A . 6 IAS N . . . . . . . . . rr_6pqf 1
. 11 . 2057 . 1 1 6 . O O 10.027 -6.936 -7.756 . . . 1.0 . . . . . . . . . . . . A . 6 IAS O . . . . . . . . . rr_6pqf 1
. 11 . 2058 . 1 1 6 . OD1 O 12.278 -10.117 -6.594 . . . 1.0 . . . . . . . . . . . . A . 6 IAS OD1 . . . . . . . . . rr_6pqf 1
. 11 . 2059 . 1 1 6 . OXT O 11.253 -8.133 -9.204 . . . 1.0 . . . . . . . . . . . . A . 6 IAS OXT . . . . . . . . . rr_6pqf 1
. 11 . 2060 . 1 1 7 GLY C C 11.886 -9.048 -3.163 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . rr_6pqf 1
. 11 . 2061 . 1 1 7 GLY CA C 13.019 -9.618 -3.994 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . rr_6pqf 1
. 11 . 2062 . 1 1 7 GLY H H 13.874 -7.964 -5.003 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . rr_6pqf 1
. 11 . 2063 . 1 1 7 GLY HA2 H 12.733 -10.596 -4.350 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . rr_6pqf 1
. 11 . 2064 . 1 1 7 GLY HA3 H 13.895 -9.715 -3.369 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . rr_6pqf 1
. 11 . 2065 . 1 1 7 GLY N N 13.347 -8.781 -5.133 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . rr_6pqf 1
. 11 . 2066 . 1 1 7 GLY O O 11.913 -9.116 -1.934 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . rr_6pqf 1
. 11 . 2067 . 1 1 8 CYS C C 8.771 -8.981 -2.689 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . rr_6pqf 1
. 11 . 2068 . 1 1 8 CYS CA C 9.742 -7.897 -3.151 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . rr_6pqf 1
. 11 . 2069 . 1 1 8 CYS CB C 9.021 -6.911 -4.073 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . rr_6pqf 1
. 11 . 2070 . 1 1 8 CYS H H 10.924 -8.460 -4.814 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . rr_6pqf 1
. 11 . 2071 . 1 1 8 CYS HA H 10.107 -7.366 -2.285 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . rr_6pqf 1
. 11 . 2072 . 1 1 8 CYS HB2 H 9.757 -6.334 -4.615 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . rr_6pqf 1
. 11 . 2073 . 1 1 8 CYS HB3 H 8.416 -7.464 -4.776 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . rr_6pqf 1
. 11 . 2074 . 1 1 8 CYS N N 10.888 -8.484 -3.834 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . rr_6pqf 1
. 11 . 2075 . 1 1 8 CYS O O 8.755 -10.086 -3.231 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . rr_6pqf 1
. 11 . 2076 . 1 1 8 CYS SG S 7.932 -5.739 -3.202 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . rr_6pqf 1
. 11 . 2077 . 1 1 9 ALA C C 6.088 -10.141 -2.258 . . . 1.0 . . . . . . . . . . . . A . 9 ALA C . . . . . . . . . rr_6pqf 1
. 11 . 2078 . 1 1 9 ALA CA C 6.988 -9.598 -1.153 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CA . . . . . . . . . rr_6pqf 1
. 11 . 2079 . 1 1 9 ALA CB C 6.154 -8.937 -0.066 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CB . . . . . . . . . rr_6pqf 1
. 11 . 2080 . 1 1 9 ALA H H 8.023 -7.758 -1.296 . . . 1.0 . . . . . . . . . . . . A . 9 ALA H . . . . . . . . . rr_6pqf 1
. 11 . 2081 . 1 1 9 ALA HA H 7.529 -10.421 -0.707 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HA . . . . . . . . . rr_6pqf 1
. 11 . 2082 . 1 1 9 ALA HB1 H 5.244 -8.547 -0.499 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB1 . . . . . . . . . rr_6pqf 1
. 11 . 2083 . 1 1 9 ALA HB2 H 5.908 -9.666 0.692 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB2 . . . . . . . . . rr_6pqf 1
. 11 . 2084 . 1 1 9 ALA HB3 H 6.716 -8.130 0.379 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB3 . . . . . . . . . rr_6pqf 1
. 11 . 2085 . 1 1 9 ALA N N 7.963 -8.655 -1.686 . . . 1.0 . . . . . . . . . . . . A . 9 ALA N . . . . . . . . . rr_6pqf 1
. 11 . 2086 . 1 1 9 ALA O O 5.462 -9.377 -2.994 . . . 1.0 . . . . . . . . . . . . A . 9 ALA O . . . . . . . . . rr_6pqf 1
. 11 . 2087 . 1 1 10 LYS C C 3.782 -12.325 -2.874 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_6pqf 1
. 11 . 2088 . 1 1 10 LYS CA C 5.203 -12.109 -3.384 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_6pqf 1
. 11 . 2089 . 1 1 10 LYS CB C 5.819 -13.449 -3.794 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_6pqf 1
. 11 . 2090 . 1 1 10 LYS CD C 6.289 -15.810 -3.078 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_6pqf 1
. 11 . 2091 . 1 1 10 LYS CE C 6.690 -16.714 -1.922 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_6pqf 1
. 11 . 2092 . 1 1 10 LYS CG C 6.097 -14.374 -2.622 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_6pqf 1
. 11 . 2093 . 1 1 10 LYS H H 6.549 -12.019 -1.753 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_6pqf 1
. 11 . 2094 . 1 1 10 LYS HA H 5.168 -11.460 -4.246 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_6pqf 1
. 11 . 2095 . 1 1 10 LYS HB2 H 5.142 -13.951 -4.469 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_6pqf 1
. 11 . 2096 . 1 1 10 LYS HB3 H 6.751 -13.261 -4.306 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_6pqf 1
. 11 . 2097 . 1 1 10 LYS HD2 H 5.363 -16.172 -3.499 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_6pqf 1
. 11 . 2098 . 1 1 10 LYS HD3 H 7.064 -15.839 -3.832 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_6pqf 1
. 11 . 2099 . 1 1 10 LYS HE2 H 7.650 -16.394 -1.549 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_6pqf 1
. 11 . 2100 . 1 1 10 LYS HE3 H 5.951 -16.624 -1.140 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_6pqf 1
. 11 . 2101 . 1 1 10 LYS HG2 H 6.995 -14.044 -2.120 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_6pqf 1
. 11 . 2102 . 1 1 10 LYS HG3 H 5.263 -14.332 -1.936 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_6pqf 1
. 11 . 2103 . 1 1 10 LYS HZ1 H 7.687 -18.313 -2.824 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . rr_6pqf 1
. 11 . 2104 . 1 1 10 LYS HZ2 H 6.005 -18.374 -2.990 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . rr_6pqf 1
. 11 . 2105 . 1 1 10 LYS HZ3 H 6.723 -18.761 -1.508 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_6pqf 1
. 11 . 2106 . 1 1 10 LYS N N 6.027 -11.463 -2.369 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_6pqf 1
. 11 . 2107 . 1 1 10 LYS NZ N 6.782 -18.140 -2.340 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_6pqf 1
. 11 . 2108 . 1 1 10 LYS O O 3.491 -12.147 -1.691 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_6pqf 1
. 11 . 2109 . 1 1 11 . C C 0.823 -11.673 -2.815 . . . 1.0 . . . . . . . . . . . . A . 11 DBB C . . . . . . . . . rr_6pqf 1
. 11 . 2110 . 1 1 11 . CA C 1.517 -12.935 -3.359 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CA . . . . . . . . . rr_6pqf 1
. 11 . 2111 . 1 1 11 . CB C 0.747 -13.537 -4.553 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CB . . . . . . . . . rr_6pqf 1
. 11 . 2112 . 1 1 11 . CG C -0.631 -13.986 -4.097 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CG . . . . . . . . . rr_6pqf 1
. 11 . 2113 . 1 1 11 . H H 3.162 -12.845 -4.707 . . . 1.0 . . . . . . . . . . . . A . 11 DBB H . . . . . . . . . rr_6pqf 1
. 11 . 2114 . 1 1 11 . HA H 1.527 -13.673 -2.582 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HA . . . . . . . . . rr_6pqf 1
. 11 . 2115 . 1 1 11 . HB2 H 1.290 -14.416 -4.827 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HB2 . . . . . . . . . rr_6pqf 1
. 11 . 2116 . 1 1 11 . HG1 H -0.527 -14.566 -3.192 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG1 . . . . . . . . . rr_6pqf 1
. 11 . 2117 . 1 1 11 . HG2 H -1.086 -14.593 -4.865 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG2 . . . . . . . . . rr_6pqf 1
. 11 . 2118 . 1 1 11 . HG3 H -1.246 -13.122 -3.904 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG3 . . . . . . . . . rr_6pqf 1
. 11 . 2119 . 1 1 11 . N N 2.894 -12.712 -3.769 . . . 1.0 . . . . . . . . . . . . A . 11 DBB N . . . . . . . . . rr_6pqf 1
. 11 . 2120 . 1 1 11 . O O 1.188 -10.575 -3.236 . . . 1.0 . . . . . . . . . . . . A . 11 DBB O . . . . . . . . . rr_6pqf 1
. 11 . 2121 . 1 1 12 CYS C C -0.115 -9.954 -0.352 . . . 1.0 . . . . . . . . . . . . A . 12 CYS C . . . . . . . . . rr_6pqf 1
. 11 . 2122 . 1 1 12 CYS CA C -0.915 -10.676 -1.433 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CA . . . . . . . . . rr_6pqf 1
. 11 . 2123 . 1 1 12 CYS CB C -2.264 -11.126 -0.870 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CB . . . . . . . . . rr_6pqf 1
. 11 . 2124 . 1 1 12 CYS H H -0.419 -12.722 -1.651 . . . 1.0 . . . . . . . . . . . . A . 12 CYS H . . . . . . . . . rr_6pqf 1
. 11 . 2125 . 1 1 12 CYS HA H -1.086 -9.994 -2.253 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HA . . . . . . . . . rr_6pqf 1
. 11 . 2126 . 1 1 12 CYS HB2 H -2.110 -11.563 0.106 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB2 . . . . . . . . . rr_6pqf 1
. 11 . 2127 . 1 1 12 CYS HB3 H -2.911 -10.267 -0.776 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB3 . . . . . . . . . rr_6pqf 1
. 11 . 2128 . 1 1 12 CYS N N -0.174 -11.820 -1.950 . . . 1.0 . . . . . . . . . . . . A . 12 CYS N . . . . . . . . . rr_6pqf 1
. 11 . 2129 . 1 1 12 CYS O O -0.569 -9.818 0.783 . . . 1.0 . . . . . . . . . . . . A . 12 CYS O . . . . . . . . . rr_6pqf 1
. 11 . 2130 . 1 1 12 CYS SG S -3.124 -12.359 -1.899 . . . 1.0 . . . . . . . . . . . . A . 12 CYS SG . . . . . . . . . rr_6pqf 1
. 11 . 2131 . 1 1 13 ALA C C 2.433 -7.469 -0.373 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . rr_6pqf 1
. 11 . 2132 . 1 1 13 ALA CA C 1.939 -8.782 0.223 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . rr_6pqf 1
. 11 . 2133 . 1 1 13 ALA CB C 3.116 -9.658 0.625 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . rr_6pqf 1
. 11 . 2134 . 1 1 13 ALA H H 1.384 -9.631 -1.635 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . rr_6pqf 1
. 11 . 2135 . 1 1 13 ALA HA H 1.361 -8.568 1.111 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . rr_6pqf 1
. 11 . 2136 . 1 1 13 ALA HB1 H 3.576 -10.070 -0.262 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . rr_6pqf 1
. 11 . 2137 . 1 1 13 ALA HB2 H 3.839 -9.064 1.163 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . rr_6pqf 1
. 11 . 2138 . 1 1 13 ALA HB3 H 2.768 -10.462 1.256 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . rr_6pqf 1
. 11 . 2139 . 1 1 13 ALA N N 1.077 -9.492 -0.715 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . rr_6pqf 1
. 11 . 2140 . 1 1 13 ALA O O 2.577 -6.485 0.352 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . rr_6pqf 1
. 11 . 2141 . 1 1 14 ALA C C 3.017 -6.619 -3.949 . . . 1.0 . . . . . . . . . . . . A . 14 ALA C . . . . . . . . . rr_6pqf 1
. 11 . 2142 . 1 1 14 ALA CA C 3.156 -6.307 -2.393 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CA . . . . . . . . . rr_6pqf 1
. 11 . 2143 . 1 1 14 ALA CB C 4.569 -5.961 -2.100 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CB . . . . . . . . . rr_6pqf 1
. 11 . 2144 . 1 1 14 ALA H H 2.539 -8.307 -2.164 . . . 1.0 . . . . . . . . . . . . A . 14 ALA H . . . . . . . . . rr_6pqf 1
. 11 . 2145 . 1 1 14 ALA HA H 2.485 -5.487 -2.220 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HA . . . . . . . . . rr_6pqf 1
. 11 . 2146 . 1 1 14 ALA HB1 H 5.012 -6.719 -1.471 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB1 . . . . . . . . . rr_6pqf 1
. 11 . 2147 . 1 1 14 ALA HB2 H 5.089 -5.938 -3.047 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB2 . . . . . . . . . rr_6pqf 1
. 11 . 2148 . 1 1 14 ALA N N 2.683 -7.474 -1.669 . . . 1.0 . . . . . . . . . . . . A . 14 ALA N . . . . . . . . . rr_6pqf 1
. 11 . 2149 . 1 1 14 ALA O O 2.621 -5.756 -4.733 . . . 1.0 . . . . . . . . . . . . A . 14 ALA O . . . . . . . . . rr_6pqf 1
. 11 . 2150 . 1 1 15 SER C C 1.870 -8.417 -6.195 . . . 1.0 . . . . . . . . . . . . A . 15 SER C . . . . . . . . . rr_6pqf 1
. 11 . 2151 . 1 1 15 SER CA C 3.315 -8.244 -5.736 . . . 1.0 . . . . . . . . . . . . A . 15 SER CA . . . . . . . . . rr_6pqf 1
. 11 . 2152 . 1 1 15 SER CB C 4.087 -9.548 -5.944 . . . 1.0 . . . . . . . . . . . . A . 15 SER CB . . . . . . . . . rr_6pqf 1
. 11 . 2153 . 1 1 15 SER H H 3.678 -8.484 -3.664 . . . 1.0 . . . . . . . . . . . . A . 15 SER H . . . . . . . . . rr_6pqf 1
. 11 . 2154 . 1 1 15 SER HA H 3.776 -7.465 -6.325 . . . 1.0 . . . . . . . . . . . . A . 15 SER HA . . . . . . . . . rr_6pqf 1
. 11 . 2155 . 1 1 15 SER HB2 H 3.869 -10.226 -5.132 . . . 1.0 . . . . . . . . . . . . A . 15 SER HB2 . . . . . . . . . rr_6pqf 1
. 11 . 2156 . 1 1 15 SER HB3 H 3.785 -9.998 -6.879 . . . 1.0 . . . . . . . . . . . . A . 15 SER HB3 . . . . . . . . . rr_6pqf 1
. 11 . 2157 . 1 1 15 SER HG H 5.655 -8.458 -6.380 . . . 1.0 . . . . . . . . . . . . A . 15 SER HG . . . . . . . . . rr_6pqf 1
. 11 . 2158 . 1 1 15 SER N N 3.370 -7.840 -4.336 . . . 1.0 . . . . . . . . . . . . A . 15 SER N . . . . . . . . . rr_6pqf 1
. 11 . 2159 . 1 1 15 SER O O 1.332 -7.580 -6.921 . . . 1.0 . . . . . . . . . . . . A . 15 SER O . . . . . . . . . rr_6pqf 1
. 11 . 2160 . 1 1 15 SER OG O 5.484 -9.314 -5.980 . . . 1.0 . . . . . . . . . . . . A . 15 SER OG . . . . . . . . . rr_6pqf 1
. 11 . 2161 . 1 1 16 CYS C C -1.099 -8.899 -5.360 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . rr_6pqf 1
. 11 . 2162 . 1 1 16 CYS CA C -0.136 -9.795 -6.132 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . rr_6pqf 1
. 11 . 2163 . 1 1 16 CYS CB C -0.463 -11.265 -5.864 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . rr_6pqf 1
. 11 . 2164 . 1 1 16 CYS H H 1.728 -10.140 -5.190 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . rr_6pqf 1
. 11 . 2165 . 1 1 16 CYS HA H -0.248 -9.597 -7.188 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . rr_6pqf 1
. 11 . 2166 . 1 1 16 CYS HB2 H -0.604 -11.407 -4.802 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . rr_6pqf 1
. 11 . 2167 . 1 1 16 CYS HB3 H -1.376 -11.523 -6.380 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . rr_6pqf 1
. 11 . 2168 . 1 1 16 CYS N N 1.246 -9.510 -5.767 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . rr_6pqf 1
. 11 . 2169 . 1 1 16 CYS O O -0.743 -8.332 -4.327 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . rr_6pqf 1
. 11 . 2170 . 1 1 16 CYS SG S 0.830 -12.427 -6.409 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . rr_6pqf 1
. 11 . 2171 . 1 1 17 ALA C C -4.517 -8.797 -4.761 . . . 1.0 . . . . . . . . . . . . A . 17 ALA C . . . . . . . . . rr_6pqf 1
. 11 . 2172 . 1 1 17 ALA CA C -3.336 -7.951 -5.225 . . . 1.0 . . . . . . . . . . . . A . 17 ALA CA . . . . . . . . . rr_6pqf 1
. 11 . 2173 . 1 1 17 ALA CB C -3.807 -6.859 -6.174 . . . 1.0 . . . . . . . . . . . . A . 17 ALA CB . . . . . . . . . rr_6pqf 1
. 11 . 2174 . 1 1 17 ALA H H -2.545 -9.252 -6.694 . . . 1.0 . . . . . . . . . . . . A . 17 ALA H . . . . . . . . . rr_6pqf 1
. 11 . 2175 . 1 1 17 ALA HA H -2.886 -7.477 -4.365 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HA . . . . . . . . . rr_6pqf 1
. 11 . 2176 . 1 1 17 ALA HB1 H -3.512 -7.107 -7.183 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB1 . . . . . . . . . rr_6pqf 1
. 11 . 2177 . 1 1 17 ALA HB2 H -4.882 -6.777 -6.123 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB2 . . . . . . . . . rr_6pqf 1
. 11 . 2178 . 1 1 17 ALA HB3 H -3.360 -5.918 -5.889 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB3 . . . . . . . . . rr_6pqf 1
. 11 . 2179 . 1 1 17 ALA N N -2.321 -8.776 -5.868 . . . 1.0 . . . . . . . . . . . . A . 17 ALA N . . . . . . . . . rr_6pqf 1
. 11 . 2180 . 1 1 17 ALA O O -5.516 -8.894 -5.473 . . . 1.0 . . . . . . . . . . . . A . 17 ALA O . . . . . . . . . rr_6pqf 1
. 11 . 2181 . 1 1 18 ALA C C -6.412 -9.269 -2.202 . . . 1.0 . . . . . . . . . . . . A . 18 ALA C . . . . . . . . . rr_6pqf 1
. 11 . 2182 . 1 1 18 ALA CA C -5.416 -10.224 -2.999 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CA . . . . . . . . . rr_6pqf 1
. 11 . 2183 . 1 1 18 ALA CB C -4.886 -11.247 -2.064 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CB . . . . . . . . . rr_6pqf 1
. 11 . 2184 . 1 1 18 ALA H H -3.551 -9.252 -3.093 . . . 1.0 . . . . . . . . . . . . A . 18 ALA H . . . . . . . . . rr_6pqf 1
. 11 . 2185 . 1 1 18 ALA HA H -6.017 -10.651 -3.780 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HA . . . . . . . . . rr_6pqf 1
. 11 . 2186 . 1 1 18 ALA HB1 H -4.879 -10.858 -1.056 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB1 . . . . . . . . . rr_6pqf 1
. 11 . 2187 . 1 1 18 ALA HB2 H -5.553 -12.094 -2.113 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB2 . . . . . . . . . rr_6pqf 1
. 11 . 2188 . 1 1 18 ALA N N -4.386 -9.388 -3.589 . . . 1.0 . . . . . . . . . . . . A . 18 ALA N . . . . . . . . . rr_6pqf 1
. 11 . 2189 . 1 1 18 ALA O O -6.056 -8.712 -1.163 . . . 1.0 . . . . . . . . . . . . A . 18 ALA O . . . . . . . . . rr_6pqf 1
. 11 . 2190 . 1 1 19 SER C C -8.950 -8.709 -0.708 . . . 1.0 . . . . . . . . . . . . A . 19 SER C . . . . . . . . . rr_6pqf 1
. 11 . 2191 . 1 1 19 SER CA C -8.614 -8.235 -2.119 . . . 1.0 . . . . . . . . . . . . A . 19 SER CA . . . . . . . . . rr_6pqf 1
. 11 . 2192 . 1 1 19 SER CB C -9.884 -8.194 -2.971 . . . 1.0 . . . . . . . . . . . . A . 19 SER CB . . . . . . . . . rr_6pqf 1
. 11 . 2193 . 1 1 19 SER H H -7.842 -9.574 -3.565 . . . 1.0 . . . . . . . . . . . . A . 19 SER H . . . . . . . . . rr_6pqf 1
. 11 . 2194 . 1 1 19 SER HA H -8.197 -7.240 -2.061 . . . 1.0 . . . . . . . . . . . . A . 19 SER HA . . . . . . . . . rr_6pqf 1
. 11 . 2195 . 1 1 19 SER HB2 H -10.646 -7.634 -2.450 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB2 . . . . . . . . . rr_6pqf 1
. 11 . 2196 . 1 1 19 SER HB3 H -9.665 -7.714 -3.914 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB3 . . . . . . . . . rr_6pqf 1
. 11 . 2197 . 1 1 19 SER HG H -10.259 -10.041 -2.440 . . . 1.0 . . . . . . . . . . . . A . 19 SER HG . . . . . . . . . rr_6pqf 1
. 11 . 2198 . 1 1 19 SER N N -7.618 -9.103 -2.735 . . . 1.0 . . . . . . . . . . . . A . 19 SER N . . . . . . . . . rr_6pqf 1
. 11 . 2199 . 1 1 19 SER O O -10.103 -8.662 -0.285 . . . 1.0 . . . . . . . . . . . . A . 19 SER O . . . . . . . . . rr_6pqf 1
. 11 . 2200 . 1 1 19 SER OG O -10.370 -9.500 -3.225 . . . 1.0 . . . . . . . . . . . . A . 19 SER OG . . . . . . . . . rr_6pqf 1
. 12 . 2201 . 1 1 1 ALA C C 3.595 0.460 -1.140 . . . 1.0 . . . . . . . . . . . . A . 1 ALA C . . . . . . . . . rr_6pqf 1
. 12 . 2202 . 1 1 1 ALA CA C 2.307 1.247 -0.924 . . . 1.0 . . . . . . . . . . . . A . 1 ALA CA . . . . . . . . . rr_6pqf 1
. 12 . 2203 . 1 1 1 ALA CB C 2.611 2.597 -0.291 . . . 1.0 . . . . . . . . . . . . A . 1 ALA CB . . . . . . . . . rr_6pqf 1
. 12 . 2204 . 1 1 1 ALA H1 H 0.705 0.990 0.435 . . . 1.0 . . . . . . . . . . . . A . 1 ALA H1 . . . . . . . . . rr_6pqf 1
. 12 . 2205 . 1 1 1 ALA HA H 1.840 1.424 -1.883 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HA . . . . . . . . . rr_6pqf 1
. 12 . 2206 . 1 1 1 ALA HB1 H 3.289 2.460 0.539 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB1 . . . . . . . . . rr_6pqf 1
. 12 . 2207 . 1 1 1 ALA HB2 H 3.067 3.245 -1.025 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB2 . . . . . . . . . rr_6pqf 1
. 12 . 2208 . 1 1 1 ALA HB3 H 1.693 3.043 0.063 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB3 . . . . . . . . . rr_6pqf 1
. 12 . 2209 . 1 1 1 ALA N N 1.367 0.501 -0.097 . . . 1.0 . . . . . . . . . . . . A . 1 ALA N . . . . . . . . . rr_6pqf 1
. 12 . 2210 . 1 1 1 ALA O O 4.683 1.033 -1.196 . . . 1.0 . . . . . . . . . . . . A . 1 ALA O . . . . . . . . . rr_6pqf 1
. 12 . 2211 . 1 1 2 CYS C C 5.444 -1.254 -2.660 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_6pqf 1
. 12 . 2212 . 1 1 2 CYS CA C 4.618 -1.725 -1.466 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_6pqf 1
. 12 . 2213 . 1 1 2 CYS CB C 4.163 -3.169 -1.684 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_6pqf 1
. 12 . 2214 . 1 1 2 CYS H H 2.570 -1.256 -1.205 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_6pqf 1
. 12 . 2215 . 1 1 2 CYS HA H 5.231 -1.679 -0.580 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_6pqf 1
. 12 . 2216 . 1 1 2 CYS HB2 H 3.260 -3.343 -1.117 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_6pqf 1
. 12 . 2217 . 1 1 2 CYS HB3 H 3.958 -3.320 -2.734 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_6pqf 1
. 12 . 2218 . 1 1 2 CYS N N 3.464 -0.857 -1.258 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_6pqf 1
. 12 . 2219 . 1 1 2 CYS O O 4.922 -1.084 -3.761 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_6pqf 1
. 12 . 2220 . 1 1 2 CYS SG S 5.386 -4.419 -1.172 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_6pqf 1
. 12 . 2221 . 1 1 3 GLY C C 7.756 -1.626 -4.604 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6pqf 1
. 12 . 2222 . 1 1 3 GLY CA C 7.615 -0.599 -3.498 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6pqf 1
. 12 . 2223 . 1 1 3 GLY H H 7.098 -1.200 -1.534 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6pqf 1
. 12 . 2224 . 1 1 3 GLY HA2 H 7.218 0.314 -3.917 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6pqf 1
. 12 . 2225 . 1 1 3 GLY HA3 H 8.592 -0.397 -3.083 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6pqf 1
. 12 . 2226 . 1 1 3 GLY N N 6.737 -1.047 -2.433 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6pqf 1
. 12 . 2227 . 1 1 3 GLY O O 8.148 -1.306 -5.727 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6pqf 1
. 12 . 2228 . 1 1 4 . C C 8.978 -4.056 -5.873 . . . 1.0 . . . . . . . . . . . . A . 4 DBB C . . . . . . . . . rr_6pqf 1
. 12 . 2229 . 1 1 4 . CA C 7.556 -3.909 -5.302 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CA . . . . . . . . . rr_6pqf 1
. 12 . 2230 . 1 1 4 . CB C 7.047 -5.232 -4.695 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CB . . . . . . . . . rr_6pqf 1
. 12 . 2231 . 1 1 4 . CG C 6.948 -6.288 -5.784 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CG . . . . . . . . . rr_6pqf 1
. 12 . 2232 . 1 1 4 . H H 7.129 -3.088 -3.386 . . . 1.0 . . . . . . . . . . . . A . 4 DBB H . . . . . . . . . rr_6pqf 1
. 12 . 2233 . 1 1 4 . HA H 6.898 -3.653 -6.108 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HA . . . . . . . . . rr_6pqf 1
. 12 . 2234 . 1 1 4 . HB2 H 6.051 -5.028 -4.363 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HB2 . . . . . . . . . rr_6pqf 1
. 12 . 2235 . 1 1 4 . HG1 H 7.908 -6.378 -6.270 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG1 . . . . . . . . . rr_6pqf 1
. 12 . 2236 . 1 1 4 . HG2 H 6.202 -5.993 -6.507 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG2 . . . . . . . . . rr_6pqf 1
. 12 . 2237 . 1 1 4 . HG3 H 6.676 -7.233 -5.344 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG3 . . . . . . . . . rr_6pqf 1
. 12 . 2238 . 1 1 4 . N N 7.439 -2.868 -4.294 . . . 1.0 . . . . . . . . . . . . A . 4 DBB N . . . . . . . . . rr_6pqf 1
. 12 . 2239 . 1 1 4 . O O 9.129 -3.998 -7.093 . . . 1.0 . . . . . . . . . . . . A . 4 DBB O . . . . . . . . . rr_6pqf 1
. 12 . 2240 . 1 1 5 GLY C C 11.529 -5.345 -6.572 . . . 1.0 . . . . . . . . . . . . A . 5 GLY C . . . . . . . . . rr_6pqf 1
. 12 . 2241 . 1 1 5 GLY CA C 11.358 -4.279 -5.508 . . . 1.0 . . . . . . . . . . . . A . 5 GLY CA . . . . . . . . . rr_6pqf 1
. 12 . 2242 . 1 1 5 GLY H H 9.812 -4.233 -4.062 . . . 1.0 . . . . . . . . . . . . A . 5 GLY H . . . . . . . . . rr_6pqf 1
. 12 . 2243 . 1 1 5 GLY HA2 H 11.644 -3.324 -5.921 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA2 . . . . . . . . . rr_6pqf 1
. 12 . 2244 . 1 1 5 GLY HA3 H 12.008 -4.510 -4.677 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA3 . . . . . . . . . rr_6pqf 1
. 12 . 2245 . 1 1 5 GLY N N 9.993 -4.192 -5.024 . . . 1.0 . . . . . . . . . . . . A . 5 GLY N . . . . . . . . . rr_6pqf 1
. 12 . 2246 . 1 1 5 GLY O O 11.353 -5.140 -7.770 . . . 1.0 . . . . . . . . . . . . A . 5 GLY O . . . . . . . . . rr_6pqf 1
. 12 . 2247 . 1 1 6 . C C 10.671 -8.420 -7.248 . . . 1.0 . . . . . . . . . . . . A . 6 IAS C . . . . . . . . . rr_6pqf 1
. 12 . 2248 . 1 1 6 . CA C 11.983 -7.677 -7.073 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CA . . . . . . . . . rr_6pqf 1
. 12 . 2249 . 1 1 6 . CB C 13.122 -8.658 -6.740 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CB . . . . . . . . . rr_6pqf 1
. 12 . 2250 . 1 1 6 . CG C 13.073 -9.181 -5.311 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CG . . . . . . . . . rr_6pqf 1
. 12 . 2251 . 1 1 6 . H H 12.040 -6.741 -5.173 . . . 1.0 . . . . . . . . . . . . A . 6 IAS H . . . . . . . . . rr_6pqf 1
. 12 . 2252 . 1 1 6 . HA H 12.168 -7.257 -8.055 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HA . . . . . . . . . rr_6pqf 1
. 12 . 2253 . 1 1 6 . HB2 H 14.059 -8.127 -6.832 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HB2 . . . . . . . . . rr_6pqf 1
. 12 . 2254 . 1 1 6 . HB3 H 13.100 -9.471 -7.448 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HB3 . . . . . . . . . rr_6pqf 1
. 12 . 2255 . 1 1 6 . HXT H 10.193 -9.980 -6.215 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HXT . . . . . . . . . rr_6pqf 1
. 12 . 2256 . 1 1 6 . N N 11.894 -6.564 -6.142 . . . 1.0 . . . . . . . . . . . . A . 6 IAS N . . . . . . . . . rr_6pqf 1
. 12 . 2257 . 1 1 6 . O O 9.994 -8.385 -8.244 . . . 1.0 . . . . . . . . . . . . A . 6 IAS O . . . . . . . . . rr_6pqf 1
. 12 . 2258 . 1 1 6 . OD1 O 12.689 -10.321 -5.054 . . . 1.0 . . . . . . . . . . . . A . 6 IAS OD1 . . . . . . . . . rr_6pqf 1
. 12 . 2259 . 1 1 6 . OXT O 10.286 -9.021 -6.112 . . . 1.0 . . . . . . . . . . . . A . 6 IAS OXT . . . . . . . . . rr_6pqf 1
. 12 . 2260 . 1 1 7 GLY C C 12.168 -8.305 -2.275 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . rr_6pqf 1
. 12 . 2261 . 1 1 7 GLY CA C 13.456 -8.697 -2.973 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . rr_6pqf 1
. 12 . 2262 . 1 1 7 GLY H H 13.760 -7.425 -4.638 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . rr_6pqf 1
. 12 . 2263 . 1 1 7 GLY HA2 H 13.582 -9.767 -2.897 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . rr_6pqf 1
. 12 . 2264 . 1 1 7 GLY HA3 H 14.283 -8.211 -2.477 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . rr_6pqf 1
. 12 . 2265 . 1 1 7 GLY N N 13.464 -8.321 -4.375 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . rr_6pqf 1
. 12 . 2266 . 1 1 7 GLY O O 12.146 -8.112 -1.059 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . rr_6pqf 1
. 12 . 2267 . 1 1 8 CYS C C 8.996 -9.048 -2.097 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . rr_6pqf 1
. 12 . 2268 . 1 1 8 CYS CA C 9.795 -7.810 -2.495 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . rr_6pqf 1
. 12 . 2269 . 1 1 8 CYS CB C 9.005 -6.984 -3.512 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . rr_6pqf 1
. 12 . 2270 . 1 1 8 CYS H H 11.173 -8.351 -4.009 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . rr_6pqf 1
. 12 . 2271 . 1 1 8 CYS HA H 9.969 -7.211 -1.614 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . rr_6pqf 1
. 12 . 2272 . 1 1 8 CYS HB2 H 9.698 -6.453 -4.149 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . rr_6pqf 1
. 12 . 2273 . 1 1 8 CYS HB3 H 8.406 -7.649 -4.116 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . rr_6pqf 1
. 12 . 2274 . 1 1 8 CYS N N 11.092 -8.184 -3.045 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . rr_6pqf 1
. 12 . 2275 . 1 1 8 CYS O O 9.343 -10.169 -2.467 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . rr_6pqf 1
. 12 . 2276 . 1 1 8 CYS SG S 7.889 -5.754 -2.764 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . rr_6pqf 1
. 12 . 2277 . 1 1 9 ALA C C 6.262 -10.503 -2.054 . . . 1.0 . . . . . . . . . . . . A . 9 ALA C . . . . . . . . . rr_6pqf 1
. 12 . 2278 . 1 1 9 ALA CA C 7.073 -9.932 -0.896 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CA . . . . . . . . . rr_6pqf 1
. 12 . 2279 . 1 1 9 ALA CB C 6.148 -9.463 0.218 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CB . . . . . . . . . rr_6pqf 1
. 12 . 2280 . 1 1 9 ALA H H 7.698 -7.918 -1.080 . . . 1.0 . . . . . . . . . . . . A . 9 ALA H . . . . . . . . . rr_6pqf 1
. 12 . 2281 . 1 1 9 ALA HA H 7.711 -10.708 -0.499 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HA . . . . . . . . . rr_6pqf 1
. 12 . 2282 . 1 1 9 ALA HB1 H 5.475 -8.711 -0.167 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB1 . . . . . . . . . rr_6pqf 1
. 12 . 2283 . 1 1 9 ALA HB2 H 5.578 -10.302 0.588 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB2 . . . . . . . . . rr_6pqf 1
. 12 . 2284 . 1 1 9 ALA HB3 H 6.736 -9.044 1.020 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB3 . . . . . . . . . rr_6pqf 1
. 12 . 2285 . 1 1 9 ALA N N 7.923 -8.835 -1.342 . . . 1.0 . . . . . . . . . . . . A . 9 ALA N . . . . . . . . . rr_6pqf 1
. 12 . 2286 . 1 1 9 ALA O O 5.981 -9.809 -3.032 . . . 1.0 . . . . . . . . . . . . A . 9 ALA O . . . . . . . . . rr_6pqf 1
. 12 . 2287 . 1 1 10 LYS C C 3.673 -12.669 -2.514 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_6pqf 1
. 12 . 2288 . 1 1 10 LYS CA C 5.109 -12.439 -2.976 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_6pqf 1
. 12 . 2289 . 1 1 10 LYS CB C 5.756 -13.774 -3.351 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_6pqf 1
. 12 . 2290 . 1 1 10 LYS CD C 7.244 -14.925 -5.015 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_6pqf 1
. 12 . 2291 . 1 1 10 LYS CE C 8.132 -15.850 -4.198 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_6pqf 1
. 12 . 2292 . 1 1 10 LYS CG C 6.955 -13.631 -4.272 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_6pqf 1
. 12 . 2293 . 1 1 10 LYS H H 6.143 -12.275 -1.136 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_6pqf 1
. 12 . 2294 . 1 1 10 LYS HA H 5.096 -11.798 -3.845 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_6pqf 1
. 12 . 2295 . 1 1 10 LYS HB2 H 6.079 -14.270 -2.448 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_6pqf 1
. 12 . 2296 . 1 1 10 LYS HB3 H 5.019 -14.391 -3.846 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_6pqf 1
. 12 . 2297 . 1 1 10 LYS HD2 H 6.311 -15.428 -5.221 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_6pqf 1
. 12 . 2298 . 1 1 10 LYS HD3 H 7.742 -14.691 -5.946 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_6pqf 1
. 12 . 2299 . 1 1 10 LYS HE2 H 8.890 -15.260 -3.707 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_6pqf 1
. 12 . 2300 . 1 1 10 LYS HE3 H 7.525 -16.346 -3.454 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_6pqf 1
. 12 . 2301 . 1 1 10 LYS HG2 H 6.753 -12.852 -4.993 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_6pqf 1
. 12 . 2302 . 1 1 10 LYS HG3 H 7.820 -13.364 -3.683 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_6pqf 1
. 12 . 2303 . 1 1 10 LYS HZ1 H 8.264 -17.774 -5.001 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . rr_6pqf 1
. 12 . 2304 . 1 1 10 LYS HZ2 H 9.764 -17.046 -4.717 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . rr_6pqf 1
. 12 . 2305 . 1 1 10 LYS HZ3 H 8.825 -16.559 -6.037 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_6pqf 1
. 12 . 2306 . 1 1 10 LYS N N 5.888 -11.773 -1.939 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_6pqf 1
. 12 . 2307 . 1 1 10 LYS NZ N 8.793 -16.879 -5.048 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_6pqf 1
. 12 . 2308 . 1 1 10 LYS O O 3.387 -12.732 -1.318 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_6pqf 1
. 12 . 2309 . 1 1 11 . C C 0.674 -11.755 -2.569 . . . 1.0 . . . . . . . . . . . . A . 11 DBB C . . . . . . . . . rr_6pqf 1
. 12 . 2310 . 1 1 11 . CA C 1.377 -13.016 -3.102 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CA . . . . . . . . . rr_6pqf 1
. 12 . 2311 . 1 1 11 . CB C 0.644 -13.602 -4.326 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CB . . . . . . . . . rr_6pqf 1
. 12 . 2312 . 1 1 11 . CG C -0.751 -14.047 -3.919 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CG . . . . . . . . . rr_6pqf 1
. 12 . 2313 . 1 1 11 . H H 3.033 -12.742 -4.411 . . . 1.0 . . . . . . . . . . . . A . 11 DBB H . . . . . . . . . rr_6pqf 1
. 12 . 2314 . 1 1 11 . HA H 1.358 -13.760 -2.332 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HA . . . . . . . . . rr_6pqf 1
. 12 . 2315 . 1 1 11 . HB2 H 1.190 -14.482 -4.591 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HB2 . . . . . . . . . rr_6pqf 1
. 12 . 2316 . 1 1 11 . HG1 H -0.668 -14.776 -3.128 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG1 . . . . . . . . . rr_6pqf 1
. 12 . 2317 . 1 1 11 . HG2 H -1.251 -14.490 -4.768 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG2 . . . . . . . . . rr_6pqf 1
. 12 . 2318 . 1 1 11 . HG3 H -1.313 -13.196 -3.569 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG3 . . . . . . . . . rr_6pqf 1
. 12 . 2319 . 1 1 11 . N N 2.769 -12.797 -3.465 . . . 1.0 . . . . . . . . . . . . A . 11 DBB N . . . . . . . . . rr_6pqf 1
. 12 . 2320 . 1 1 11 . O O 1.010 -10.660 -3.021 . . . 1.0 . . . . . . . . . . . . A . 11 DBB O . . . . . . . . . rr_6pqf 1
. 12 . 2321 . 1 1 12 CYS C C -0.241 -9.999 -0.123 . . . 1.0 . . . . . . . . . . . . A . 12 CYS C . . . . . . . . . rr_6pqf 1
. 12 . 2322 . 1 1 12 CYS CA C -1.051 -10.758 -1.171 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CA . . . . . . . . . rr_6pqf 1
. 12 . 2323 . 1 1 12 CYS CB C -2.379 -11.219 -0.569 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CB . . . . . . . . . rr_6pqf 1
. 12 . 2324 . 1 1 12 CYS H H -0.524 -12.800 -1.356 . . . 1.0 . . . . . . . . . . . . A . 12 CYS H . . . . . . . . . rr_6pqf 1
. 12 . 2325 . 1 1 12 CYS HA H -1.252 -10.097 -2.000 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HA . . . . . . . . . rr_6pqf 1
. 12 . 2326 . 1 1 12 CYS HB2 H -2.197 -11.630 0.414 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB2 . . . . . . . . . rr_6pqf 1
. 12 . 2327 . 1 1 12 CYS HB3 H -3.041 -10.370 -0.481 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB3 . . . . . . . . . rr_6pqf 1
. 12 . 2328 . 1 1 12 CYS N N -0.302 -11.900 -1.679 . . . 1.0 . . . . . . . . . . . . A . 12 CYS N . . . . . . . . . rr_6pqf 1
. 12 . 2329 . 1 1 12 CYS O O -0.674 -9.846 1.019 . . . 1.0 . . . . . . . . . . . . A . 12 CYS O . . . . . . . . . rr_6pqf 1
. 12 . 2330 . 1 1 12 CYS SG S -3.238 -12.492 -1.549 . . . 1.0 . . . . . . . . . . . . A . 12 CYS SG . . . . . . . . . rr_6pqf 1
. 12 . 2331 . 1 1 13 ALA C C 2.268 -7.477 -0.253 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . rr_6pqf 1
. 12 . 2332 . 1 1 13 ALA CA C 1.805 -8.783 0.383 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . rr_6pqf 1
. 12 . 2333 . 1 1 13 ALA CB C 3.003 -9.633 0.782 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . rr_6pqf 1
. 12 . 2334 . 1 1 13 ALA H H 1.226 -9.682 -1.443 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . rr_6pqf 1
. 12 . 2335 . 1 1 13 ALA HA H 1.242 -8.557 1.277 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . rr_6pqf 1
. 12 . 2336 . 1 1 13 ALA HB1 H 3.564 -9.900 -0.102 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . rr_6pqf 1
. 12 . 2337 . 1 1 13 ALA HB2 H 3.635 -9.071 1.453 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . rr_6pqf 1
. 12 . 2338 . 1 1 13 ALA HB3 H 2.660 -10.530 1.275 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . rr_6pqf 1
. 12 . 2339 . 1 1 13 ALA N N 0.936 -9.527 -0.520 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . rr_6pqf 1
. 12 . 2340 . 1 1 13 ALA O O 2.409 -6.474 0.445 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . rr_6pqf 1
. 12 . 2341 . 1 1 14 ALA C C 2.740 -6.692 -3.858 . . . 1.0 . . . . . . . . . . . . A . 14 ALA C . . . . . . . . . rr_6pqf 1
. 12 . 2342 . 1 1 14 ALA CA C 2.938 -6.355 -2.313 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CA . . . . . . . . . rr_6pqf 1
. 12 . 2343 . 1 1 14 ALA CB C 4.360 -6.001 -2.080 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CB . . . . . . . . . rr_6pqf 1
. 12 . 2344 . 1 1 14 ALA H H 2.356 -8.357 -2.025 . . . 1.0 . . . . . . . . . . . . A . 14 ALA H . . . . . . . . . rr_6pqf 1
. 12 . 2345 . 1 1 14 ALA HA H 2.272 -5.533 -2.128 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HA . . . . . . . . . rr_6pqf 1
. 12 . 2346 . 1 1 14 ALA HB1 H 4.852 -6.792 -1.533 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB1 . . . . . . . . . rr_6pqf 1
. 12 . 2347 . 1 1 14 ALA HB2 H 4.822 -5.901 -3.051 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB2 . . . . . . . . . rr_6pqf 1
. 12 . 2348 . 1 1 14 ALA N N 2.496 -7.510 -1.552 . . . 1.0 . . . . . . . . . . . . A . 14 ALA N . . . . . . . . . rr_6pqf 1
. 12 . 2349 . 1 1 14 ALA O O 2.183 -5.894 -4.611 . . . 1.0 . . . . . . . . . . . . A . 14 ALA O . . . . . . . . . rr_6pqf 1
. 12 . 2350 . 1 1 15 SER C C 1.681 -8.482 -6.074 . . . 1.0 . . . . . . . . . . . . A . 15 SER C . . . . . . . . . rr_6pqf 1
. 12 . 2351 . 1 1 15 SER CA C 3.136 -8.275 -5.664 . . . 1.0 . . . . . . . . . . . . A . 15 SER CA . . . . . . . . . rr_6pqf 1
. 12 . 2352 . 1 1 15 SER CB C 3.929 -9.564 -5.887 . . . 1.0 . . . . . . . . . . . . A . 15 SER CB . . . . . . . . . rr_6pqf 1
. 12 . 2353 . 1 1 15 SER H H 3.661 -8.451 -3.621 . . . 1.0 . . . . . . . . . . . . A . 15 SER H . . . . . . . . . rr_6pqf 1
. 12 . 2354 . 1 1 15 SER HA H 3.561 -7.491 -6.273 . . . 1.0 . . . . . . . . . . . . A . 15 SER HA . . . . . . . . . rr_6pqf 1
. 12 . 2355 . 1 1 15 SER HB2 H 3.767 -9.914 -6.894 . . . 1.0 . . . . . . . . . . . . A . 15 SER HB2 . . . . . . . . . rr_6pqf 1
. 12 . 2356 . 1 1 15 SER HB3 H 4.981 -9.365 -5.740 . . . 1.0 . . . . . . . . . . . . A . 15 SER HB3 . . . . . . . . . rr_6pqf 1
. 12 . 2357 . 1 1 15 SER HG H 3.776 -10.325 -4.088 . . . 1.0 . . . . . . . . . . . . A . 15 SER HG . . . . . . . . . rr_6pqf 1
. 12 . 2358 . 1 1 15 SER N N 3.228 -7.858 -4.270 . . . 1.0 . . . . . . . . . . . . A . 15 SER N . . . . . . . . . rr_6pqf 1
. 12 . 2359 . 1 1 15 SER O O 1.124 -7.703 -6.849 . . . 1.0 . . . . . . . . . . . . A . 15 SER O . . . . . . . . . rr_6pqf 1
. 12 . 2360 . 1 1 15 SER OG O 3.524 -10.575 -4.980 . . . 1.0 . . . . . . . . . . . . A . 15 SER OG . . . . . . . . . rr_6pqf 1
. 12 . 2361 . 1 1 16 CYS C C -1.269 -9.001 -5.022 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . rr_6pqf 1
. 12 . 2362 . 1 1 16 CYS CA C -0.319 -9.852 -5.860 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . rr_6pqf 1
. 12 . 2363 . 1 1 16 CYS CB C -0.597 -11.337 -5.615 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . rr_6pqf 1
. 12 . 2364 . 1 1 16 CYS H H 1.567 -10.124 -4.938 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . rr_6pqf 1
. 12 . 2365 . 1 1 16 CYS HA H -0.484 -9.632 -6.903 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . rr_6pqf 1
. 12 . 2366 . 1 1 16 CYS HB2 H -0.750 -11.497 -4.557 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . rr_6pqf 1
. 12 . 2367 . 1 1 16 CYS HB3 H -1.491 -11.621 -6.149 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . rr_6pqf 1
. 12 . 2368 . 1 1 16 CYS N N 1.070 -9.539 -5.550 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . rr_6pqf 1
. 12 . 2369 . 1 1 16 CYS O O -0.910 -8.532 -3.942 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . rr_6pqf 1
. 12 . 2370 . 1 1 16 CYS SG S 0.747 -12.443 -6.152 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . rr_6pqf 1
. 12 . 2371 . 1 1 17 ALA C C -4.661 -8.879 -4.388 . . . 1.0 . . . . . . . . . . . . A . 17 ALA C . . . . . . . . . rr_6pqf 1
. 12 . 2372 . 1 1 17 ALA CA C -3.484 -8.014 -4.825 . . . 1.0 . . . . . . . . . . . . A . 17 ALA CA . . . . . . . . . rr_6pqf 1
. 12 . 2373 . 1 1 17 ALA CB C -3.966 -6.871 -5.706 . . . 1.0 . . . . . . . . . . . . A . 17 ALA CB . . . . . . . . . rr_6pqf 1
. 12 . 2374 . 1 1 17 ALA H H -2.709 -9.205 -6.393 . . . 1.0 . . . . . . . . . . . . A . 17 ALA H . . . . . . . . . rr_6pqf 1
. 12 . 2375 . 1 1 17 ALA HA H -3.018 -7.587 -3.948 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HA . . . . . . . . . rr_6pqf 1
. 12 . 2376 . 1 1 17 ALA HB1 H -3.679 -7.061 -6.730 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB1 . . . . . . . . . rr_6pqf 1
. 12 . 2377 . 1 1 17 ALA HB2 H -5.041 -6.795 -5.641 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB2 . . . . . . . . . rr_6pqf 1
. 12 . 2378 . 1 1 17 ALA HB3 H -3.518 -5.946 -5.373 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB3 . . . . . . . . . rr_6pqf 1
. 12 . 2379 . 1 1 17 ALA N N -2.482 -8.806 -5.527 . . . 1.0 . . . . . . . . . . . . A . 17 ALA N . . . . . . . . . rr_6pqf 1
. 12 . 2380 . 1 1 17 ALA O O -5.669 -8.940 -5.091 . . . 1.0 . . . . . . . . . . . . A . 17 ALA O . . . . . . . . . rr_6pqf 1
. 12 . 2381 . 1 1 18 ALA C C -6.580 -9.461 -1.913 . . . 1.0 . . . . . . . . . . . . A . 18 ALA C . . . . . . . . . rr_6pqf 1
. 12 . 2382 . 1 1 18 ALA CA C -5.540 -10.389 -2.686 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CA . . . . . . . . . rr_6pqf 1
. 12 . 2383 . 1 1 18 ALA CB C -5.009 -11.401 -1.739 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CB . . . . . . . . . rr_6pqf 1
. 12 . 2384 . 1 1 18 ALA H H -3.675 -9.416 -2.756 . . . 1.0 . . . . . . . . . . . . A . 18 ALA H . . . . . . . . . rr_6pqf 1
. 12 . 2385 . 1 1 18 ALA HA H -6.110 -10.829 -3.483 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HA . . . . . . . . . rr_6pqf 1
. 12 . 2386 . 1 1 18 ALA HB1 H -5.019 -11.006 -0.733 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB1 . . . . . . . . . rr_6pqf 1
. 12 . 2387 . 1 1 18 ALA HB2 H -5.666 -12.256 -1.791 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB2 . . . . . . . . . rr_6pqf 1
. 12 . 2388 . 1 1 18 ALA N N -4.516 -9.527 -3.247 . . . 1.0 . . . . . . . . . . . . A . 18 ALA N . . . . . . . . . rr_6pqf 1
. 12 . 2389 . 1 1 18 ALA O O -6.261 -8.889 -0.871 . . . 1.0 . . . . . . . . . . . . A . 18 ALA O . . . . . . . . . rr_6pqf 1
. 12 . 2390 . 1 1 19 SER C C -10.051 -9.314 -1.535 . . . 1.0 . . . . . . . . . . . . A . 19 SER C . . . . . . . . . rr_6pqf 1
. 12 . 2391 . 1 1 19 SER CA C -8.813 -8.492 -1.878 . . . 1.0 . . . . . . . . . . . . A . 19 SER CA . . . . . . . . . rr_6pqf 1
. 12 . 2392 . 1 1 19 SER CB C -9.188 -7.359 -2.835 . . . 1.0 . . . . . . . . . . . . A . 19 SER CB . . . . . . . . . rr_6pqf 1
. 12 . 2393 . 1 1 19 SER H H -7.973 -9.815 -3.303 . . . 1.0 . . . . . . . . . . . . A . 19 SER H . . . . . . . . . rr_6pqf 1
. 12 . 2394 . 1 1 19 SER HA H -8.413 -8.068 -0.969 . . . 1.0 . . . . . . . . . . . . A . 19 SER HA . . . . . . . . . rr_6pqf 1
. 12 . 2395 . 1 1 19 SER HB2 H -9.822 -6.653 -2.321 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB2 . . . . . . . . . rr_6pqf 1
. 12 . 2396 . 1 1 19 SER HB3 H -8.289 -6.860 -3.168 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB3 . . . . . . . . . rr_6pqf 1
. 12 . 2397 . 1 1 19 SER HG H -9.327 -7.767 -4.746 . . . 1.0 . . . . . . . . . . . . A . 19 SER HG . . . . . . . . . rr_6pqf 1
. 12 . 2398 . 1 1 19 SER N N -7.779 -9.334 -2.471 . . . 1.0 . . . . . . . . . . . . A . 19 SER N . . . . . . . . . rr_6pqf 1
. 12 . 2399 . 1 1 19 SER O O -11.179 -8.877 -1.757 . . . 1.0 . . . . . . . . . . . . A . 19 SER O . . . . . . . . . rr_6pqf 1
. 12 . 2400 . 1 1 19 SER OG O -9.881 -7.855 -3.967 . . . 1.0 . . . . . . . . . . . . A . 19 SER OG . . . . . . . . . rr_6pqf 1
. 13 . 2401 . 1 1 1 ALA C C 2.461 -0.978 -1.206 . . . 1.0 . . . . . . . . . . . . A . 1 ALA C . . . . . . . . . rr_6pqf 1
. 13 . 2402 . 1 1 1 ALA CA C 1.031 -0.904 -1.731 . . . 1.0 . . . . . . . . . . . . A . 1 ALA CA . . . . . . . . . rr_6pqf 1
. 13 . 2403 . 1 1 1 ALA CB C 0.726 0.498 -2.239 . . . 1.0 . . . . . . . . . . . . A . 1 ALA CB . . . . . . . . . rr_6pqf 1
. 13 . 2404 . 1 1 1 ALA H1 H 0.070 -0.808 0.151 . . . 1.0 . . . . . . . . . . . . A . 1 ALA H1 . . . . . . . . . rr_6pqf 1
. 13 . 2405 . 1 1 1 ALA HA H 0.927 -1.591 -2.559 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HA . . . . . . . . . rr_6pqf 1
. 13 . 2406 . 1 1 1 ALA HB1 H -0.150 0.879 -1.735 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB1 . . . . . . . . . rr_6pqf 1
. 13 . 2407 . 1 1 1 ALA HB2 H 1.567 1.144 -2.039 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB2 . . . . . . . . . rr_6pqf 1
. 13 . 2408 . 1 1 1 ALA HB3 H 0.543 0.463 -3.303 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB3 . . . . . . . . . rr_6pqf 1
. 13 . 2409 . 1 1 1 ALA N N 0.073 -1.288 -0.703 . . . 1.0 . . . . . . . . . . . . A . 1 ALA N . . . . . . . . . rr_6pqf 1
. 13 . 2410 . 1 1 1 ALA O O 2.814 -0.303 -0.238 . . . 1.0 . . . . . . . . . . . . A . 1 ALA O . . . . . . . . . rr_6pqf 1
. 13 . 2411 . 1 1 2 CYS C C 5.600 -1.169 -2.357 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_6pqf 1
. 13 . 2412 . 1 1 2 CYS CA C 4.672 -1.967 -1.446 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_6pqf 1
. 13 . 2413 . 1 1 2 CYS CB C 5.061 -3.446 -1.472 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_6pqf 1
. 13 . 2414 . 1 1 2 CYS H H 2.941 -2.315 -2.613 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_6pqf 1
. 13 . 2415 . 1 1 2 CYS HA H 4.772 -1.596 -0.437 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_6pqf 1
. 13 . 2416 . 1 1 2 CYS HB2 H 5.998 -3.573 -0.949 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_6pqf 1
. 13 . 2417 . 1 1 2 CYS HB3 H 4.296 -4.021 -0.973 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_6pqf 1
. 13 . 2418 . 1 1 2 CYS N N 3.281 -1.803 -1.849 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_6pqf 1
. 13 . 2419 . 1 1 2 CYS O O 5.149 -0.344 -3.151 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_6pqf 1
. 13 . 2420 . 1 1 2 CYS SG S 5.267 -4.131 -3.147 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_6pqf 1
. 13 . 2421 . 1 1 3 GLY C C 8.349 -1.552 -4.229 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6pqf 1
. 13 . 2422 . 1 1 3 GLY CA C 7.871 -0.720 -3.056 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6pqf 1
. 13 . 2423 . 1 1 3 GLY H H 7.202 -2.091 -1.587 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6pqf 1
. 13 . 2424 . 1 1 3 GLY HA2 H 7.421 0.187 -3.431 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6pqf 1
. 13 . 2425 . 1 1 3 GLY HA3 H 8.722 -0.461 -2.443 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6pqf 1
. 13 . 2426 . 1 1 3 GLY N N 6.900 -1.422 -2.237 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6pqf 1
. 13 . 2427 . 1 1 3 GLY O O 8.575 -1.039 -5.326 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6pqf 1
. 13 . 2428 . 1 1 4 . C C 10.480 -4.008 -5.023 . . . 1.0 . . . . . . . . . . . . A . 4 DBB C . . . . . . . . . rr_6pqf 1
. 13 . 2429 . 1 1 4 . CA C 8.973 -3.701 -5.084 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CA . . . . . . . . . rr_6pqf 1
. 13 . 2430 . 1 1 4 . CB C 8.129 -4.992 -5.072 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CB . . . . . . . . . rr_6pqf 1
. 13 . 2431 . 1 1 4 . CG C 8.435 -5.813 -6.314 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CG . . . . . . . . . rr_6pqf 1
. 13 . 2432 . 1 1 4 . H H 8.319 -3.218 -3.117 . . . 1.0 . . . . . . . . . . . . A . 4 DBB H . . . . . . . . . rr_6pqf 1
. 13 . 2433 . 1 1 4 . HA H 8.771 -3.197 -6.008 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HA . . . . . . . . . rr_6pqf 1
. 13 . 2434 . 1 1 4 . HB2 H 7.113 -4.669 -5.150 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HB2 . . . . . . . . . rr_6pqf 1
. 13 . 2435 . 1 1 4 . HG1 H 9.479 -6.085 -6.303 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG1 . . . . . . . . . rr_6pqf 1
. 13 . 2436 . 1 1 4 . HG2 H 8.222 -5.227 -7.196 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG2 . . . . . . . . . rr_6pqf 1
. 13 . 2437 . 1 1 4 . HG3 H 7.829 -6.705 -6.314 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG3 . . . . . . . . . rr_6pqf 1
. 13 . 2438 . 1 1 4 . N N 8.509 -2.842 -4.006 . . . 1.0 . . . . . . . . . . . . A . 4 DBB N . . . . . . . . . rr_6pqf 1
. 13 . 2439 . 1 1 4 . O O 10.964 -4.360 -3.948 . . . 1.0 . . . . . . . . . . . . A . 4 DBB O . . . . . . . . . rr_6pqf 1
. 13 . 2440 . 1 1 5 GLY C C 12.873 -5.629 -6.745 . . . 1.0 . . . . . . . . . . . . A . 5 GLY C . . . . . . . . . rr_6pqf 1
. 13 . 2441 . 1 1 5 GLY CA C 12.603 -4.260 -6.153 . . . 1.0 . . . . . . . . . . . . A . 5 GLY CA . . . . . . . . . rr_6pqf 1
. 13 . 2442 . 1 1 5 GLY H H 10.751 -3.640 -6.972 . . . 1.0 . . . . . . . . . . . . A . 5 GLY H . . . . . . . . . rr_6pqf 1
. 13 . 2443 . 1 1 5 GLY HA2 H 13.133 -3.517 -6.731 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA2 . . . . . . . . . rr_6pqf 1
. 13 . 2444 . 1 1 5 GLY HA3 H 12.972 -4.240 -5.137 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA3 . . . . . . . . . rr_6pqf 1
. 13 . 2445 . 1 1 5 GLY N N 11.190 -3.928 -6.144 . . . 1.0 . . . . . . . . . . . . A . 5 GLY N . . . . . . . . . rr_6pqf 1
. 13 . 2446 . 1 1 5 GLY O O 12.649 -5.916 -7.917 . . . 1.0 . . . . . . . . . . . . A . 5 GLY O . . . . . . . . . rr_6pqf 1
. 13 . 2447 . 1 1 6 . C C 12.314 -8.741 -6.257 . . . 1.0 . . . . . . . . . . . . A . 6 IAS C . . . . . . . . . rr_6pqf 1
. 13 . 2448 . 1 1 6 . CA C 13.585 -7.917 -6.357 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CA . . . . . . . . . rr_6pqf 1
. 13 . 2449 . 1 1 6 . CB C 14.749 -8.627 -5.641 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CB . . . . . . . . . rr_6pqf 1
. 13 . 2450 . 1 1 6 . CG C 14.661 -8.555 -4.123 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CG . . . . . . . . . rr_6pqf 1
. 13 . 2451 . 1 1 6 . H H 13.574 -6.326 -4.958 . . . 1.0 . . . . . . . . . . . . A . 6 IAS H . . . . . . . . . rr_6pqf 1
. 13 . 2452 . 1 1 6 . HA H 13.806 -7.878 -7.417 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HA . . . . . . . . . rr_6pqf 1
. 13 . 2453 . 1 1 6 . HB2 H 15.665 -8.123 -5.912 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HB2 . . . . . . . . . rr_6pqf 1
. 13 . 2454 . 1 1 6 . HB3 H 14.791 -9.652 -5.976 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HB3 . . . . . . . . . rr_6pqf 1
. 13 . 2455 . 1 1 6 . HXT H 12.124 -10.645 -6.515 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HXT . . . . . . . . . rr_6pqf 1
. 13 . 2456 . 1 1 6 . N N 13.387 -6.548 -5.911 . . . 1.0 . . . . . . . . . . . . A . 6 IAS N . . . . . . . . . rr_6pqf 1
. 13 . 2457 . 1 1 6 . O O 11.399 -8.499 -5.511 . . . 1.0 . . . . . . . . . . . . A . 6 IAS O . . . . . . . . . rr_6pqf 1
. 13 . 2458 . 1 1 6 . OD1 O 15.473 -7.912 -3.459 . . . 1.0 . . . . . . . . . . . . A . 6 IAS OD1 . . . . . . . . . rr_6pqf 1
. 13 . 2459 . 1 1 6 . OXT O 12.382 -9.851 -7.008 . . . 1.0 . . . . . . . . . . . . A . 6 IAS OXT . . . . . . . . . rr_6pqf 1
. 13 . 2460 . 1 1 7 GLY C C 12.048 -8.912 -1.735 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . rr_6pqf 1
. 13 . 2461 . 1 1 7 GLY CA C 13.469 -9.253 -2.138 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . rr_6pqf 1
. 13 . 2462 . 1 1 7 GLY H H 13.040 -9.731 -4.156 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . rr_6pqf 1
. 13 . 2463 . 1 1 7 GLY HA2 H 13.712 -10.237 -1.766 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . rr_6pqf 1
. 13 . 2464 . 1 1 7 GLY HA3 H 14.140 -8.535 -1.690 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . rr_6pqf 1
. 13 . 2465 . 1 1 7 GLY N N 13.657 -9.236 -3.577 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . rr_6pqf 1
. 13 . 2466 . 1 1 7 GLY O O 11.591 -9.297 -0.658 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . rr_6pqf 1
. 13 . 2467 . 1 1 8 CYS C C 9.125 -9.000 -1.939 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . rr_6pqf 1
. 13 . 2468 . 1 1 8 CYS CA C 9.971 -7.792 -2.329 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . rr_6pqf 1
. 13 . 2469 . 1 1 8 CYS CB C 9.364 -7.105 -3.554 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . rr_6pqf 1
. 13 . 2470 . 1 1 8 CYS H H 11.767 -7.910 -3.442 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . rr_6pqf 1
. 13 . 2471 . 1 1 8 CYS HA H 9.982 -7.095 -1.505 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . rr_6pqf 1
. 13 . 2472 . 1 1 8 CYS HB2 H 10.121 -6.496 -4.027 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . rr_6pqf 1
. 13 . 2473 . 1 1 8 CYS HB3 H 9.029 -7.859 -4.250 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . rr_6pqf 1
. 13 . 2474 . 1 1 8 CYS N N 11.347 -8.187 -2.600 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . rr_6pqf 1
. 13 . 2475 . 1 1 8 CYS O O 9.482 -10.141 -2.230 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . rr_6pqf 1
. 13 . 2476 . 1 1 8 CYS SG S 7.945 -6.027 -3.176 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . rr_6pqf 1
. 13 . 2477 . 1 1 9 ALA C C 6.123 -10.177 -1.960 . . . 1.0 . . . . . . . . . . . . A . 9 ALA C . . . . . . . . . rr_6pqf 1
. 13 . 2478 . 1 1 9 ALA CA C 7.102 -9.806 -0.851 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CA . . . . . . . . . rr_6pqf 1
. 13 . 2479 . 1 1 9 ALA CB C 6.349 -9.389 0.403 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CB . . . . . . . . . rr_6pqf 1
. 13 . 2480 . 1 1 9 ALA H H 7.769 -7.811 -1.076 . . . 1.0 . . . . . . . . . . . . A . 9 ALA H . . . . . . . . . rr_6pqf 1
. 13 . 2481 . 1 1 9 ALA HA H 7.702 -10.672 -0.610 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HA . . . . . . . . . rr_6pqf 1
. 13 . 2482 . 1 1 9 ALA HB1 H 5.757 -8.511 0.191 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB1 . . . . . . . . . rr_6pqf 1
. 13 . 2483 . 1 1 9 ALA HB2 H 5.700 -10.194 0.717 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB2 . . . . . . . . . rr_6pqf 1
. 13 . 2484 . 1 1 9 ALA HB3 H 7.054 -9.167 1.189 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB3 . . . . . . . . . rr_6pqf 1
. 13 . 2485 . 1 1 9 ALA N N 8.001 -8.741 -1.279 . . . 1.0 . . . . . . . . . . . . A . 9 ALA N . . . . . . . . . rr_6pqf 1
. 13 . 2486 . 1 1 9 ALA O O 5.786 -9.350 -2.807 . . . 1.0 . . . . . . . . . . . . A . 9 ALA O . . . . . . . . . rr_6pqf 1
. 13 . 2487 . 1 1 10 LYS C C 3.333 -12.060 -2.362 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_6pqf 1
. 13 . 2488 . 1 1 10 LYS CA C 4.730 -11.908 -2.954 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_6pqf 1
. 13 . 2489 . 1 1 10 LYS CB C 5.202 -13.247 -3.525 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_6pqf 1
. 13 . 2490 . 1 1 10 LYS CD C 6.806 -14.312 -5.139 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_6pqf 1
. 13 . 2491 . 1 1 10 LYS CE C 5.948 -14.118 -6.380 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_6pqf 1
. 13 . 2492 . 1 1 10 LYS CG C 6.592 -13.192 -4.135 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_6pqf 1
. 13 . 2493 . 1 1 10 LYS H H 5.977 -12.040 -1.249 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_6pqf 1
. 13 . 2494 . 1 1 10 LYS HA H 4.693 -11.180 -3.751 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_6pqf 1
. 13 . 2495 . 1 1 10 LYS HB2 H 5.208 -13.981 -2.732 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_6pqf 1
. 13 . 2496 . 1 1 10 LYS HB3 H 4.509 -13.563 -4.291 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_6pqf 1
. 13 . 2497 . 1 1 10 LYS HD2 H 7.845 -14.329 -5.432 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_6pqf 1
. 13 . 2498 . 1 1 10 LYS HD3 H 6.545 -15.254 -4.676 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_6pqf 1
. 13 . 2499 . 1 1 10 LYS HE2 H 4.914 -14.277 -6.116 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_6pqf 1
. 13 . 2500 . 1 1 10 LYS HE3 H 6.078 -13.107 -6.737 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_6pqf 1
. 13 . 2501 . 1 1 10 LYS HG2 H 6.719 -12.245 -4.637 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_6pqf 1
. 13 . 2502 . 1 1 10 LYS HG3 H 7.325 -13.284 -3.346 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_6pqf 1
. 13 . 2503 . 1 1 10 LYS HZ1 H 7.357 -15.104 -7.567 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . rr_6pqf 1
. 13 . 2504 . 1 1 10 LYS HZ2 H 5.908 -14.757 -8.369 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . rr_6pqf 1
. 13 . 2505 . 1 1 10 LYS HZ3 H 5.971 -16.020 -7.245 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_6pqf 1
. 13 . 2506 . 1 1 10 LYS N N 5.671 -11.426 -1.950 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_6pqf 1
. 13 . 2507 . 1 1 10 LYS NZ N 6.322 -15.067 -7.466 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_6pqf 1
. 13 . 2508 . 1 1 10 LYS O O 3.066 -11.646 -1.233 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_6pqf 1
. 13 . 2509 . 1 1 11 . C C 0.432 -11.534 -2.131 . . . 1.0 . . . . . . . . . . . . A . 11 DBB C . . . . . . . . . rr_6pqf 1
. 13 . 2510 . 1 1 11 . CA C 1.082 -12.836 -2.631 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CA . . . . . . . . . rr_6pqf 1
. 13 . 2511 . 1 1 11 . CB C 0.244 -13.499 -3.743 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CB . . . . . . . . . rr_6pqf 1
. 13 . 2512 . 1 1 11 . CG C -1.113 -13.901 -3.189 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CG . . . . . . . . . rr_6pqf 1
. 13 . 2513 . 1 1 11 . H H 2.686 -12.976 -4.023 . . . 1.0 . . . . . . . . . . . . A . 11 DBB H . . . . . . . . . rr_6pqf 1
. 13 . 2514 . 1 1 11 . HA H 1.126 -13.524 -1.811 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HA . . . . . . . . . rr_6pqf 1
. 13 . 2515 . 1 1 11 . HB2 H 0.763 -14.401 -3.991 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HB2 . . . . . . . . . rr_6pqf 1
. 13 . 2516 . 1 1 11 . HG1 H -1.639 -14.474 -3.936 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG1 . . . . . . . . . rr_6pqf 1
. 13 . 2517 . 1 1 11 . HG2 H -1.680 -13.015 -2.946 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG2 . . . . . . . . . rr_6pqf 1
. 13 . 2518 . 1 1 11 . HG3 H -0.976 -14.500 -2.303 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG3 . . . . . . . . . rr_6pqf 1
. 13 . 2519 . 1 1 11 . N N 2.438 -12.657 -3.125 . . . 1.0 . . . . . . . . . . . . A . 11 DBB N . . . . . . . . . rr_6pqf 1
. 13 . 2520 . 1 1 11 . O O 0.649 -10.493 -2.752 . . . 1.0 . . . . . . . . . . . . A . 11 DBB O . . . . . . . . . rr_6pqf 1
. 13 . 2521 . 1 1 12 CYS C C -0.134 -9.538 0.250 . . . 1.0 . . . . . . . . . . . . A . 12 CYS C . . . . . . . . . rr_6pqf 1
. 13 . 2522 . 1 1 12 CYS CA C -1.071 -10.411 -0.580 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CA . . . . . . . . . rr_6pqf 1
. 13 . 2523 . 1 1 12 CYS CB C -2.282 -10.821 0.260 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CB . . . . . . . . . rr_6pqf 1
. 13 . 2524 . 1 1 12 CYS H H -0.509 -12.451 -0.623 . . . 1.0 . . . . . . . . . . . . A . 12 CYS H . . . . . . . . . rr_6pqf 1
. 13 . 2525 . 1 1 12 CYS HA H -1.411 -9.842 -1.432 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HA . . . . . . . . . rr_6pqf 1
. 13 . 2526 . 1 1 12 CYS HB2 H -2.873 -11.532 -0.298 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB2 . . . . . . . . . rr_6pqf 1
. 13 . 2527 . 1 1 12 CYS HB3 H -1.936 -11.286 1.172 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB3 . . . . . . . . . rr_6pqf 1
. 13 . 2528 . 1 1 12 CYS N N -0.376 -11.592 -1.078 . . . 1.0 . . . . . . . . . . . . A . 12 CYS N . . . . . . . . . rr_6pqf 1
. 13 . 2529 . 1 1 12 CYS O O -0.399 -9.264 1.420 . . . 1.0 . . . . . . . . . . . . A . 12 CYS O . . . . . . . . . rr_6pqf 1
. 13 . 2530 . 1 1 12 CYS SG S -3.372 -9.436 0.721 . . . 1.0 . . . . . . . . . . . . A . 12 CYS SG . . . . . . . . . rr_6pqf 1
. 13 . 2531 . 1 1 13 ALA C C 2.342 -7.077 -0.556 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . rr_6pqf 1
. 13 . 2532 . 1 1 13 ALA CA C 1.936 -8.261 0.316 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . rr_6pqf 1
. 13 . 2533 . 1 1 13 ALA CB C 3.160 -9.077 0.704 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . rr_6pqf 1
. 13 . 2534 . 1 1 13 ALA H H 1.117 -9.356 -1.299 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . rr_6pqf 1
. 13 . 2535 . 1 1 13 ALA HA H 1.480 -7.888 1.222 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . rr_6pqf 1
. 13 . 2536 . 1 1 13 ALA HB1 H 2.864 -9.875 1.369 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . rr_6pqf 1
. 13 . 2537 . 1 1 13 ALA HB2 H 3.610 -9.496 -0.184 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . rr_6pqf 1
. 13 . 2538 . 1 1 13 ALA HB3 H 3.874 -8.439 1.203 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . rr_6pqf 1
. 13 . 2539 . 1 1 13 ALA N N 0.961 -9.104 -0.365 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . rr_6pqf 1
. 13 . 2540 . 1 1 13 ALA O O 2.575 -5.987 -0.035 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . rr_6pqf 1
. 13 . 2541 . 1 1 14 ALA C C 2.507 -6.886 -4.273 . . . 1.0 . . . . . . . . . . . . A . 14 ALA C . . . . . . . . . rr_6pqf 1
. 13 . 2542 . 1 1 14 ALA CA C 2.787 -6.291 -2.821 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CA . . . . . . . . . rr_6pqf 1
. 13 . 2543 . 1 1 14 ALA CB C 4.211 -5.883 -2.740 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CB . . . . . . . . . rr_6pqf 1
. 13 . 2544 . 1 1 14 ALA H H 2.215 -8.211 -2.175 . . . 1.0 . . . . . . . . . . . . A . 14 ALA H . . . . . . . . . rr_6pqf 1
. 13 . 2545 . 1 1 14 ALA HA H 2.113 -5.459 -2.736 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HA . . . . . . . . . rr_6pqf 1
. 13 . 2546 . 1 1 14 ALA HB1 H 4.581 -6.031 -1.736 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB1 . . . . . . . . . rr_6pqf 1
. 13 . 2547 . 1 1 14 ALA HB2 H 4.760 -6.521 -3.418 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB2 . . . . . . . . . rr_6pqf 1
. 13 . 2548 . 1 1 14 ALA N N 2.419 -7.308 -1.853 . . . 1.0 . . . . . . . . . . . . A . 14 ALA N . . . . . . . . . rr_6pqf 1
. 13 . 2549 . 1 1 14 ALA O O 1.797 -6.282 -5.076 . . . 1.0 . . . . . . . . . . . . A . 14 ALA O . . . . . . . . . rr_6pqf 1
. 13 . 2550 . 1 1 15 SER C C 1.469 -8.872 -6.199 . . . 1.0 . . . . . . . . . . . . A . 15 SER C . . . . . . . . . rr_6pqf 1
. 13 . 2551 . 1 1 15 SER CA C 2.944 -8.681 -5.858 . . . 1.0 . . . . . . . . . . . . A . 15 SER CA . . . . . . . . . rr_6pqf 1
. 13 . 2552 . 1 1 15 SER CB C 3.661 -10.032 -5.875 . . . 1.0 . . . . . . . . . . . . A . 15 SER CB . . . . . . . . . rr_6pqf 1
. 13 . 2553 . 1 1 15 SER H H 3.652 -8.476 -3.873 . . . 1.0 . . . . . . . . . . . . A . 15 SER H . . . . . . . . . rr_6pqf 1
. 13 . 2554 . 1 1 15 SER HA H 3.392 -8.036 -6.598 . . . 1.0 . . . . . . . . . . . . A . 15 SER HA . . . . . . . . . rr_6pqf 1
. 13 . 2555 . 1 1 15 SER HB2 H 4.697 -9.890 -5.604 . . . 1.0 . . . . . . . . . . . . A . 15 SER HB2 . . . . . . . . . rr_6pqf 1
. 13 . 2556 . 1 1 15 SER HB3 H 3.191 -10.696 -5.164 . . . 1.0 . . . . . . . . . . . . A . 15 SER HB3 . . . . . . . . . rr_6pqf 1
. 13 . 2557 . 1 1 15 SER HG H 4.491 -10.711 -7.515 . . . 1.0 . . . . . . . . . . . . A . 15 SER HG . . . . . . . . . rr_6pqf 1
. 13 . 2558 . 1 1 15 SER N N 3.097 -8.043 -4.556 . . . 1.0 . . . . . . . . . . . . A . 15 SER N . . . . . . . . . rr_6pqf 1
. 13 . 2559 . 1 1 15 SER O O 0.980 -8.355 -7.204 . . . 1.0 . . . . . . . . . . . . A . 15 SER O . . . . . . . . . rr_6pqf 1
. 13 . 2560 . 1 1 15 SER OG O 3.603 -10.624 -7.161 . . . 1.0 . . . . . . . . . . . . A . 15 SER OG . . . . . . . . . rr_6pqf 1
. 13 . 2561 . 1 1 16 CYS C C -1.511 -8.901 -4.763 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . rr_6pqf 1
. 13 . 2562 . 1 1 16 CYS CA C -0.655 -9.878 -5.564 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . rr_6pqf 1
. 13 . 2563 . 1 1 16 CYS CB C -0.994 -11.316 -5.166 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . rr_6pqf 1
. 13 . 2564 . 1 1 16 CYS H H 1.210 -10.002 -4.569 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . rr_6pqf 1
. 13 . 2565 . 1 1 16 CYS HA H -0.865 -9.745 -6.614 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . rr_6pqf 1
. 13 . 2566 . 1 1 16 CYS HB2 H -1.081 -11.373 -4.090 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . rr_6pqf 1
. 13 . 2567 . 1 1 16 CYS HB3 H -1.938 -11.591 -5.612 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . rr_6pqf 1
. 13 . 2568 . 1 1 16 CYS N N 0.764 -9.617 -5.354 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . rr_6pqf 1
. 13 . 2569 . 1 1 16 CYS O O -1.052 -8.315 -3.783 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . rr_6pqf 1
. 13 . 2570 . 1 1 16 CYS SG S 0.246 -12.544 -5.687 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . rr_6pqf 1
. 13 . 2571 . 1 1 17 ALA C C -4.793 -8.603 -3.811 . . . 1.0 . . . . . . . . . . . . A . 17 ALA C . . . . . . . . . rr_6pqf 1
. 13 . 2572 . 1 1 17 ALA CA C -3.681 -7.829 -4.511 . . . 1.0 . . . . . . . . . . . . A . 17 ALA CA . . . . . . . . . rr_6pqf 1
. 13 . 2573 . 1 1 17 ALA CB C -4.269 -6.834 -5.501 . . . 1.0 . . . . . . . . . . . . A . 17 ALA CB . . . . . . . . . rr_6pqf 1
. 13 . 2574 . 1 1 17 ALA H H -3.067 -9.227 -5.975 . . . 1.0 . . . . . . . . . . . . A . 17 ALA H . . . . . . . . . rr_6pqf 1
. 13 . 2575 . 1 1 17 ALA HA H -3.121 -7.274 -3.771 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HA . . . . . . . . . rr_6pqf 1
. 13 . 2576 . 1 1 17 ALA HB1 H -4.132 -7.205 -6.506 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB1 . . . . . . . . . rr_6pqf 1
. 13 . 2577 . 1 1 17 ALA HB2 H -5.323 -6.711 -5.303 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB2 . . . . . . . . . rr_6pqf 1
. 13 . 2578 . 1 1 17 ALA HB3 H -3.768 -5.883 -5.396 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB3 . . . . . . . . . rr_6pqf 1
. 13 . 2579 . 1 1 17 ALA N N -2.759 -8.732 -5.188 . . . 1.0 . . . . . . . . . . . . A . 17 ALA N . . . . . . . . . rr_6pqf 1
. 13 . 2580 . 1 1 17 ALA O O -5.879 -8.750 -4.370 . . . 1.0 . . . . . . . . . . . . A . 17 ALA O . . . . . . . . . rr_6pqf 1
. 13 . 2581 . 1 1 18 ALA C C -6.810 -8.999 -1.755 . . . 1.0 . . . . . . . . . . . . A . 18 ALA C . . . . . . . . . rr_6pqf 1
. 13 . 2582 . 1 1 18 ALA CA C -5.454 -9.834 -1.812 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CA . . . . . . . . . rr_6pqf 1
. 13 . 2583 . 1 1 18 ALA CB C -4.988 -10.082 -0.425 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CB . . . . . . . . . rr_6pqf 1
. 13 . 2584 . 1 1 18 ALA H H -3.613 -8.911 -2.250 . . . 1.0 . . . . . . . . . . . . A . 18 ALA H . . . . . . . . . rr_6pqf 1
. 13 . 2585 . 1 1 18 ALA HA H -5.714 -10.739 -2.328 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HA . . . . . . . . . rr_6pqf 1
. 13 . 2586 . 1 1 18 ALA HB1 H -5.759 -9.802 0.279 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB1 . . . . . . . . . rr_6pqf 1
. 13 . 2587 . 1 1 18 ALA HB2 H -4.800 -11.142 -0.341 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB2 . . . . . . . . . rr_6pqf 1
. 13 . 2588 . 1 1 18 ALA N N -4.508 -9.079 -2.614 . . . 1.0 . . . . . . . . . . . . A . 18 ALA N . . . . . . . . . rr_6pqf 1
. 13 . 2589 . 1 1 18 ALA O O -6.903 -7.994 -1.051 . . . 1.0 . . . . . . . . . . . . A . 18 ALA O . . . . . . . . . rr_6pqf 1
. 13 . 2590 . 1 1 19 SER C C -9.817 -8.851 -1.242 . . . 1.0 . . . . . . . . . . . . A . 19 SER C . . . . . . . . . rr_6pqf 1
. 13 . 2591 . 1 1 19 SER CA C -9.087 -8.754 -2.578 . . . 1.0 . . . . . . . . . . . . A . 19 SER CA . . . . . . . . . rr_6pqf 1
. 13 . 2592 . 1 1 19 SER CB C -9.956 -9.345 -3.690 . . . 1.0 . . . . . . . . . . . . A . 19 SER CB . . . . . . . . . rr_6pqf 1
. 13 . 2593 . 1 1 19 SER H H -7.668 -10.250 -3.058 . . . 1.0 . . . . . . . . . . . . A . 19 SER H . . . . . . . . . rr_6pqf 1
. 13 . 2594 . 1 1 19 SER HA H -8.896 -7.714 -2.796 . . . 1.0 . . . . . . . . . . . . A . 19 SER HA . . . . . . . . . rr_6pqf 1
. 13 . 2595 . 1 1 19 SER HB2 H -10.740 -8.646 -3.941 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB2 . . . . . . . . . rr_6pqf 1
. 13 . 2596 . 1 1 19 SER HB3 H -9.344 -9.527 -4.562 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB3 . . . . . . . . . rr_6pqf 1
. 13 . 2597 . 1 1 19 SER HG H -10.423 -11.227 -3.968 . . . 1.0 . . . . . . . . . . . . A . 19 SER HG . . . . . . . . . rr_6pqf 1
. 13 . 2598 . 1 1 19 SER N N -7.803 -9.442 -2.519 . . . 1.0 . . . . . . . . . . . . A . 19 SER N . . . . . . . . . rr_6pqf 1
. 13 . 2599 . 1 1 19 SER O O -10.906 -8.302 -1.077 . . . 1.0 . . . . . . . . . . . . A . 19 SER O . . . . . . . . . rr_6pqf 1
. 13 . 2600 . 1 1 19 SER OG O -10.546 -10.567 -3.282 . . . 1.0 . . . . . . . . . . . . A . 19 SER OG . . . . . . . . . rr_6pqf 1
. 14 . 2601 . 1 1 1 ALA C C 1.827 -2.748 -2.462 . . . 1.0 . . . . . . . . . . . . A . 1 ALA C . . . . . . . . . rr_6pqf 1
. 14 . 2602 . 1 1 1 ALA CA C 1.007 -3.357 -3.595 . . . 1.0 . . . . . . . . . . . . A . 1 ALA CA . . . . . . . . . rr_6pqf 1
. 14 . 2603 . 1 1 1 ALA CB C 0.860 -2.362 -4.736 . . . 1.0 . . . . . . . . . . . . A . 1 ALA CB . . . . . . . . . rr_6pqf 1
. 14 . 2604 . 1 1 1 ALA H1 H -0.621 -3.477 -2.248 . . . 1.0 . . . . . . . . . . . . A . 1 ALA H1 . . . . . . . . . rr_6pqf 1
. 14 . 2605 . 1 1 1 ALA HA H 1.526 -4.227 -3.973 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HA . . . . . . . . . rr_6pqf 1
. 14 . 2606 . 1 1 1 ALA HB1 H 1.733 -1.727 -4.774 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB1 . . . . . . . . . rr_6pqf 1
. 14 . 2607 . 1 1 1 ALA HB2 H 0.761 -2.897 -5.669 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB2 . . . . . . . . . rr_6pqf 1
. 14 . 2608 . 1 1 1 ALA HB3 H -0.019 -1.756 -4.573 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB3 . . . . . . . . . rr_6pqf 1
. 14 . 2609 . 1 1 1 ALA N N -0.304 -3.784 -3.123 . . . 1.0 . . . . . . . . . . . . A . 1 ALA N . . . . . . . . . rr_6pqf 1
. 14 . 2610 . 1 1 1 ALA O O 1.396 -1.792 -1.815 . . . 1.0 . . . . . . . . . . . . A . 1 ALA O . . . . . . . . . rr_6pqf 1
. 14 . 2611 . 1 1 2 CYS C C 4.956 -1.888 -1.738 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_6pqf 1
. 14 . 2612 . 1 1 2 CYS CA C 3.889 -2.819 -1.170 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_6pqf 1
. 14 . 2613 . 1 1 2 CYS CB C 4.553 -3.993 -0.449 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_6pqf 1
. 14 . 2614 . 1 1 2 CYS H H 3.298 -4.066 -2.776 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_6pqf 1
. 14 . 2615 . 1 1 2 CYS HA H 3.286 -2.268 -0.464 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_6pqf 1
. 14 . 2616 . 1 1 2 CYS HB2 H 5.010 -3.634 0.462 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_6pqf 1
. 14 . 2617 . 1 1 2 CYS HB3 H 3.799 -4.727 -0.202 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_6pqf 1
. 14 . 2618 . 1 1 2 CYS N N 3.009 -3.306 -2.226 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_6pqf 1
. 14 . 2619 . 1 1 2 CYS O O 5.485 -1.029 -1.033 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_6pqf 1
. 14 . 2620 . 1 1 2 CYS SG S 5.844 -4.831 -1.423 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_6pqf 1
. 14 . 2621 . 1 1 3 GLY C C 6.997 -1.958 -4.774 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6pqf 1
. 14 . 2622 . 1 1 3 GLY CA C 6.269 -1.233 -3.660 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6pqf 1
. 14 . 2623 . 1 1 3 GLY H H 4.813 -2.765 -3.532 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6pqf 1
. 14 . 2624 . 1 1 3 GLY HA2 H 5.787 -0.358 -4.069 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6pqf 1
. 14 . 2625 . 1 1 3 GLY HA3 H 6.990 -0.921 -2.919 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6pqf 1
. 14 . 2626 . 1 1 3 GLY N N 5.267 -2.064 -3.019 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6pqf 1
. 14 . 2627 . 1 1 3 GLY O O 7.491 -1.345 -5.721 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6pqf 1
. 14 . 2628 . 1 1 4 . C C 9.271 -3.746 -5.768 . . . 1.0 . . . . . . . . . . . . A . 4 DBB C . . . . . . . . . rr_6pqf 1
. 14 . 2629 . 1 1 4 . CA C 7.761 -4.033 -5.697 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CA . . . . . . . . . rr_6pqf 1
. 14 . 2630 . 1 1 4 . CB C 7.477 -5.531 -5.463 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CB . . . . . . . . . rr_6pqf 1
. 14 . 2631 . 1 1 4 . CG C 7.998 -6.339 -6.640 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CG . . . . . . . . . rr_6pqf 1
. 14 . 2632 . 1 1 4 . H H 6.665 -3.729 -3.898 . . . 1.0 . . . . . . . . . . . . A . 4 DBB H . . . . . . . . . rr_6pqf 1
. 14 . 2633 . 1 1 4 . HA H 7.326 -3.770 -6.640 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HA . . . . . . . . . rr_6pqf 1
. 14 . 2634 . 1 1 4 . HB2 H 6.413 -5.623 -5.464 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HB2 . . . . . . . . . rr_6pqf 1
. 14 . 2635 . 1 1 4 . HG1 H 9.051 -6.525 -6.497 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG1 . . . . . . . . . rr_6pqf 1
. 14 . 2636 . 1 1 4 . HG2 H 7.849 -5.782 -7.554 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG2 . . . . . . . . . rr_6pqf 1
. 14 . 2637 . 1 1 4 . HG3 H 7.469 -7.277 -6.695 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG3 . . . . . . . . . rr_6pqf 1
. 14 . 2638 . 1 1 4 . N N 7.071 -3.271 -4.669 . . . 1.0 . . . . . . . . . . . . A . 4 DBB N . . . . . . . . . rr_6pqf 1
. 14 . 2639 . 1 1 4 . O O 9.769 -3.492 -6.864 . . . 1.0 . . . . . . . . . . . . A . 4 DBB O . . . . . . . . . rr_6pqf 1
. 14 . 2640 . 1 1 5 GLY C C 12.182 -4.323 -5.558 . . . 1.0 . . . . . . . . . . . . A . 5 GLY C . . . . . . . . . rr_6pqf 1
. 14 . 2641 . 1 1 5 GLY CA C 11.385 -3.414 -4.642 . . . 1.0 . . . . . . . . . . . . A . 5 GLY CA . . . . . . . . . rr_6pqf 1
. 14 . 2642 . 1 1 5 GLY H H 9.520 -3.945 -3.791 . . . 1.0 . . . . . . . . . . . . A . 5 GLY H . . . . . . . . . rr_6pqf 1
. 14 . 2643 . 1 1 5 GLY HA2 H 11.511 -2.393 -4.967 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA2 . . . . . . . . . rr_6pqf 1
. 14 . 2644 . 1 1 5 GLY HA3 H 11.768 -3.512 -3.637 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA3 . . . . . . . . . rr_6pqf 1
. 14 . 2645 . 1 1 5 GLY N N 9.970 -3.734 -4.637 . . . 1.0 . . . . . . . . . . . . A . 5 GLY N . . . . . . . . . rr_6pqf 1
. 14 . 2646 . 1 1 5 GLY O O 12.415 -4.062 -6.735 . . . 1.0 . . . . . . . . . . . . A . 5 GLY O . . . . . . . . . rr_6pqf 1
. 14 . 2647 . 1 1 6 . C C 12.382 -7.384 -6.570 . . . 1.0 . . . . . . . . . . . . A . 6 IAS C . . . . . . . . . rr_6pqf 1
. 14 . 2648 . 1 1 6 . CA C 13.325 -6.446 -5.839 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CA . . . . . . . . . rr_6pqf 1
. 14 . 2649 . 1 1 6 . CB C 14.394 -7.243 -5.069 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CB . . . . . . . . . rr_6pqf 1
. 14 . 2650 . 1 1 6 . CG C 13.862 -7.909 -3.808 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CG . . . . . . . . . rr_6pqf 1
. 14 . 2651 . 1 1 6 . H H 12.457 -5.684 -4.062 . . . 1.0 . . . . . . . . . . . . A . 6 IAS H . . . . . . . . . rr_6pqf 1
. 14 . 2652 . 1 1 6 . HA H 13.812 -5.906 -6.642 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HA . . . . . . . . . rr_6pqf 1
. 14 . 2653 . 1 1 6 . HB2 H 15.157 -6.551 -4.743 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HB2 . . . . . . . . . rr_6pqf 1
. 14 . 2654 . 1 1 6 . HB3 H 14.832 -7.972 -5.734 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HB3 . . . . . . . . . rr_6pqf 1
. 14 . 2655 . 1 1 6 . HXT H 10.888 -8.542 -6.177 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HXT . . . . . . . . . rr_6pqf 1
. 14 . 2656 . 1 1 6 . N N 12.641 -5.463 -5.016 . . . 1.0 . . . . . . . . . . . . A . 6 IAS N . . . . . . . . . rr_6pqf 1
. 14 . 2657 . 1 1 6 . O O 12.271 -7.443 -7.768 . . . 1.0 . . . . . . . . . . . . A . 6 IAS O . . . . . . . . . rr_6pqf 1
. 14 . 2658 . 1 1 6 . OD1 O 13.839 -7.321 -2.728 . . . 1.0 . . . . . . . . . . . . A . 6 IAS OD1 . . . . . . . . . rr_6pqf 1
. 14 . 2659 . 1 1 6 . OXT O 11.587 -8.051 -5.720 . . . 1.0 . . . . . . . . . . . . A . 6 IAS OXT . . . . . . . . . rr_6pqf 1
. 14 . 2660 . 1 1 7 GLY C C 11.626 -9.317 -2.292 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . rr_6pqf 1
. 14 . 2661 . 1 1 7 GLY CA C 12.914 -9.908 -2.831 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . rr_6pqf 1
. 14 . 2662 . 1 1 7 GLY H H 13.480 -9.579 -4.844 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . rr_6pqf 1
. 14 . 2663 . 1 1 7 GLY HA2 H 12.729 -10.925 -3.141 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . rr_6pqf 1
. 14 . 2664 . 1 1 7 GLY HA3 H 13.652 -9.911 -2.042 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . rr_6pqf 1
. 14 . 2665 . 1 1 7 GLY N N 13.437 -9.160 -3.959 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . rr_6pqf 1
. 14 . 2666 . 1 1 7 GLY O O 11.464 -9.163 -1.081 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . rr_6pqf 1
. 14 . 2667 . 1 1 8 CYS C C 8.442 -9.494 -2.386 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . rr_6pqf 1
. 14 . 2668 . 1 1 8 CYS CA C 9.428 -8.405 -2.801 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . rr_6pqf 1
. 14 . 2669 . 1 1 8 CYS CB C 8.843 -7.584 -3.953 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . rr_6pqf 1
. 14 . 2670 . 1 1 8 CYS H H 10.895 -9.131 -4.144 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . rr_6pqf 1
. 14 . 2671 . 1 1 8 CYS HA H 9.601 -7.754 -1.958 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . rr_6pqf 1
. 14 . 2672 . 1 1 8 CYS HB2 H 9.651 -7.202 -4.559 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . rr_6pqf 1
. 14 . 2673 . 1 1 8 CYS HB3 H 8.217 -8.223 -4.558 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . rr_6pqf 1
. 14 . 2674 . 1 1 8 CYS N N 10.707 -8.984 -3.192 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . rr_6pqf 1
. 14 . 2675 . 1 1 8 CYS O O 8.384 -10.559 -2.999 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . rr_6pqf 1
. 14 . 2676 . 1 1 8 CYS SG S 7.835 -6.165 -3.417 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . rr_6pqf 1
. 14 . 2677 . 1 1 9 ALA C C 5.749 -10.624 -1.961 . . . 1.0 . . . . . . . . . . . . A . 9 ALA C . . . . . . . . . rr_6pqf 1
. 14 . 2678 . 1 1 9 ALA CA C 6.684 -10.171 -0.846 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CA . . . . . . . . . rr_6pqf 1
. 14 . 2679 . 1 1 9 ALA CB C 5.888 -9.561 0.299 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CB . . . . . . . . . rr_6pqf 1
. 14 . 2680 . 1 1 9 ALA H H 7.762 -8.350 -0.894 . . . 1.0 . . . . . . . . . . . . A . 9 ALA H . . . . . . . . . rr_6pqf 1
. 14 . 2681 . 1 1 9 ALA HA H 7.216 -11.031 -0.464 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HA . . . . . . . . . rr_6pqf 1
. 14 . 2682 . 1 1 9 ALA HB1 H 6.507 -8.851 0.828 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB1 . . . . . . . . . rr_6pqf 1
. 14 . 2683 . 1 1 9 ALA HB2 H 5.019 -9.057 -0.096 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB2 . . . . . . . . . rr_6pqf 1
. 14 . 2684 . 1 1 9 ALA HB3 H 5.576 -10.342 0.976 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB3 . . . . . . . . . rr_6pqf 1
. 14 . 2685 . 1 1 9 ALA N N 7.669 -9.217 -1.341 . . . 1.0 . . . . . . . . . . . . A . 9 ALA N . . . . . . . . . rr_6pqf 1
. 14 . 2686 . 1 1 9 ALA O O 5.274 -9.812 -2.756 . . . 1.0 . . . . . . . . . . . . A . 9 ALA O . . . . . . . . . rr_6pqf 1
. 14 . 2687 . 1 1 10 LYS C C 3.164 -12.532 -2.541 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_6pqf 1
. 14 . 2688 . 1 1 10 LYS CA C 4.607 -12.487 -3.034 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_6pqf 1
. 14 . 2689 . 1 1 10 LYS CB C 5.070 -13.894 -3.417 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_6pqf 1
. 14 . 2690 . 1 1 10 LYS CD C 7.329 -13.271 -4.321 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_6pqf 1
. 14 . 2691 . 1 1 10 LYS CE C 8.453 -13.900 -5.131 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_6pqf 1
. 14 . 2692 . 1 1 10 LYS CG C 5.991 -13.924 -4.624 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_6pqf 1
. 14 . 2693 . 1 1 10 LYS H H 5.894 -12.523 -1.354 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_6pqf 1
. 14 . 2694 . 1 1 10 LYS HA H 4.658 -11.851 -3.904 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_6pqf 1
. 14 . 2695 . 1 1 10 LYS HB2 H 5.595 -14.328 -2.579 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_6pqf 1
. 14 . 2696 . 1 1 10 LYS HB3 H 4.202 -14.498 -3.638 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_6pqf 1
. 14 . 2697 . 1 1 10 LYS HD2 H 7.271 -12.220 -4.563 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_6pqf 1
. 14 . 2698 . 1 1 10 LYS HD3 H 7.547 -13.388 -3.269 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_6pqf 1
. 14 . 2699 . 1 1 10 LYS HE2 H 9.337 -13.952 -4.515 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_6pqf 1
. 14 . 2700 . 1 1 10 LYS HE3 H 8.156 -14.897 -5.419 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_6pqf 1
. 14 . 2701 . 1 1 10 LYS HG2 H 6.161 -14.951 -4.912 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_6pqf 1
. 14 . 2702 . 1 1 10 LYS HG3 H 5.519 -13.393 -5.439 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_6pqf 1
. 14 . 2703 . 1 1 10 LYS HZ1 H 9.783 -12.926 -6.414 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . rr_6pqf 1
. 14 . 2704 . 1 1 10 LYS HZ2 H 8.256 -12.204 -6.334 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . rr_6pqf 1
. 14 . 2705 . 1 1 10 LYS HZ3 H 8.467 -13.639 -7.203 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_6pqf 1
. 14 . 2706 . 1 1 10 LYS N N 5.486 -11.925 -2.016 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_6pqf 1
. 14 . 2707 . 1 1 10 LYS NZ N 8.761 -13.112 -6.357 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_6pqf 1
. 14 . 2708 . 1 1 10 LYS O O 2.858 -12.138 -1.415 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_6pqf 1
. 14 . 2709 . 1 1 11 . C C 0.308 -11.746 -2.493 . . . 1.0 . . . . . . . . . . . . A . 11 DBB C . . . . . . . . . rr_6pqf 1
. 14 . 2710 . 1 1 11 . CA C 0.877 -13.087 -2.990 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CA . . . . . . . . . rr_6pqf 1
. 14 . 2711 . 1 1 11 . CB C 0.065 -13.646 -4.176 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CB . . . . . . . . . rr_6pqf 1
. 14 . 2712 . 1 1 11 . CG C -1.357 -13.941 -3.726 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CG . . . . . . . . . rr_6pqf 1
. 14 . 2713 . 1 1 11 . H H 2.554 -13.322 -4.278 . . . 1.0 . . . . . . . . . . . . A . 11 DBB H . . . . . . . . . rr_6pqf 1
. 14 . 2714 . 1 1 11 . HA H 0.804 -13.798 -2.191 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HA . . . . . . . . . rr_6pqf 1
. 14 . 2715 . 1 1 11 . HB2 H 0.520 -14.583 -4.416 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HB2 . . . . . . . . . rr_6pqf 1
. 14 . 2716 . 1 1 11 . HG1 H -1.889 -14.410 -4.540 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG1 . . . . . . . . . rr_6pqf 1
. 14 . 2717 . 1 1 11 . HG2 H -1.849 -13.018 -3.456 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG2 . . . . . . . . . rr_6pqf 1
. 14 . 2718 . 1 1 11 . HG3 H -1.336 -14.605 -2.878 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG3 . . . . . . . . . rr_6pqf 1
. 14 . 2719 . 1 1 11 . N N 2.274 -13.016 -3.386 . . . 1.0 . . . . . . . . . . . . A . 11 DBB N . . . . . . . . . rr_6pqf 1
. 14 . 2720 . 1 1 11 . O O 0.783 -10.704 -2.945 . . . 1.0 . . . . . . . . . . . . A . 11 DBB O . . . . . . . . . rr_6pqf 1
. 14 . 2721 . 1 1 12 CYS C C -0.474 -9.861 -0.099 . . . 1.0 . . . . . . . . . . . . A . 12 CYS C . . . . . . . . . rr_6pqf 1
. 14 . 2722 . 1 1 12 CYS CA C -1.334 -10.537 -1.163 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CA . . . . . . . . . rr_6pqf 1
. 14 . 2723 . 1 1 12 CYS CB C -2.724 -10.834 -0.598 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CB . . . . . . . . . rr_6pqf 1
. 14 . 2724 . 1 1 12 CYS H H -1.042 -12.629 -1.310 . . . 1.0 . . . . . . . . . . . . A . 12 CYS H . . . . . . . . . rr_6pqf 1
. 14 . 2725 . 1 1 12 CYS HA H -1.432 -9.870 -2.006 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HA . . . . . . . . . rr_6pqf 1
. 14 . 2726 . 1 1 12 CYS HB2 H -2.618 -11.297 0.372 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB2 . . . . . . . . . rr_6pqf 1
. 14 . 2727 . 1 1 12 CYS HB3 H -3.267 -9.907 -0.491 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB3 . . . . . . . . . rr_6pqf 1
. 14 . 2728 . 1 1 12 CYS N N -0.706 -11.766 -1.635 . . . 1.0 . . . . . . . . . . . . A . 12 CYS N . . . . . . . . . rr_6pqf 1
. 14 . 2729 . 1 1 12 CYS O O -0.920 -9.643 1.027 . . . 1.0 . . . . . . . . . . . . A . 12 CYS O . . . . . . . . . rr_6pqf 1
. 14 . 2730 . 1 1 12 CYS SG S -3.726 -11.948 -1.635 . . . 1.0 . . . . . . . . . . . . A . 12 CYS SG . . . . . . . . . rr_6pqf 1
. 14 . 2731 . 1 1 13 ALA C C 2.315 -7.647 -0.181 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . rr_6pqf 1
. 14 . 2732 . 1 1 13 ALA CA C 1.682 -8.880 0.457 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . rr_6pqf 1
. 14 . 2733 . 1 1 13 ALA CB C 2.759 -9.856 0.906 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . rr_6pqf 1
. 14 . 2734 . 1 1 13 ALA H H 1.058 -9.732 -1.377 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . rr_6pqf 1
. 14 . 2735 . 1 1 13 ALA HA H 1.122 -8.574 1.329 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . rr_6pqf 1
. 14 . 2736 . 1 1 13 ALA HB1 H 2.295 -10.715 1.368 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . rr_6pqf 1
. 14 . 2737 . 1 1 13 ALA HB2 H 3.336 -10.174 0.050 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . rr_6pqf 1
. 14 . 2738 . 1 1 13 ALA HB3 H 3.410 -9.371 1.618 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . rr_6pqf 1
. 14 . 2739 . 1 1 13 ALA N N 0.761 -9.532 -0.465 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . rr_6pqf 1
. 14 . 2740 . 1 1 13 ALA O O 2.550 -6.655 0.509 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . rr_6pqf 1
. 14 . 2741 . 1 1 14 ALA C C 3.005 -6.992 -3.777 . . . 1.0 . . . . . . . . . . . . A . 14 ALA C . . . . . . . . . rr_6pqf 1
. 14 . 2742 . 1 1 14 ALA CA C 3.175 -6.645 -2.231 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CA . . . . . . . . . rr_6pqf 1
. 14 . 2743 . 1 1 14 ALA CB C 4.617 -6.445 -1.944 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CB . . . . . . . . . rr_6pqf 1
. 14 . 2744 . 1 1 14 ALA H H 2.355 -8.561 -1.937 . . . 1.0 . . . . . . . . . . . . A . 14 ALA H . . . . . . . . . rr_6pqf 1
. 14 . 2745 . 1 1 14 ALA HA H 2.597 -5.751 -2.089 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HA . . . . . . . . . rr_6pqf 1
. 14 . 2746 . 1 1 14 ALA HB1 H 4.926 -7.091 -1.135 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB1 . . . . . . . . . rr_6pqf 1
. 14 . 2747 . 1 1 14 ALA HB2 H 5.157 -6.715 -2.840 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB2 . . . . . . . . . rr_6pqf 1
. 14 . 2748 . 1 1 14 ALA N N 2.578 -7.728 -1.471 . . . 1.0 . . . . . . . . . . . . A . 14 ALA N . . . . . . . . . rr_6pqf 1
. 14 . 2749 . 1 1 14 ALA O O 2.681 -6.124 -4.587 . . . 1.0 . . . . . . . . . . . . A . 14 ALA O . . . . . . . . . rr_6pqf 1
. 14 . 2750 . 1 1 15 SER C C 1.704 -8.731 -5.973 . . . 1.0 . . . . . . . . . . . . A . 15 SER C . . . . . . . . . rr_6pqf 1
. 14 . 2751 . 1 1 15 SER CA C 3.158 -8.692 -5.513 . . . 1.0 . . . . . . . . . . . . A . 15 SER CA . . . . . . . . . rr_6pqf 1
. 14 . 2752 . 1 1 15 SER CB C 3.793 -10.074 -5.674 . . . 1.0 . . . . . . . . . . . . A . 15 SER CB . . . . . . . . . rr_6pqf 1
. 14 . 2753 . 1 1 15 SER H H 3.507 -8.897 -3.434 . . . 1.0 . . . . . . . . . . . . A . 15 SER H . . . . . . . . . rr_6pqf 1
. 14 . 2754 . 1 1 15 SER HA H 3.698 -7.984 -6.124 . . . 1.0 . . . . . . . . . . . . A . 15 SER HA . . . . . . . . . rr_6pqf 1
. 14 . 2755 . 1 1 15 SER HB2 H 3.319 -10.767 -4.996 . . . 1.0 . . . . . . . . . . . . A . 15 SER HB2 . . . . . . . . . rr_6pqf 1
. 14 . 2756 . 1 1 15 SER HB3 H 3.655 -10.414 -6.691 . . . 1.0 . . . . . . . . . . . . A . 15 SER HB3 . . . . . . . . . rr_6pqf 1
. 14 . 2757 . 1 1 15 SER HG H 5.608 -9.397 -5.967 . . . 1.0 . . . . . . . . . . . . A . 15 SER HG . . . . . . . . . rr_6pqf 1
. 14 . 2758 . 1 1 15 SER N N 3.252 -8.251 -4.126 . . . 1.0 . . . . . . . . . . . . A . 15 SER N . . . . . . . . . rr_6pqf 1
. 14 . 2759 . 1 1 15 SER O O 1.258 -7.871 -6.733 . . . 1.0 . . . . . . . . . . . . A . 15 SER O . . . . . . . . . rr_6pqf 1
. 14 . 2760 . 1 1 15 SER OG O 5.181 -10.034 -5.390 . . . 1.0 . . . . . . . . . . . . A . 15 SER OG . . . . . . . . . rr_6pqf 1
. 14 . 2761 . 1 1 16 CYS C C -1.303 -8.885 -5.117 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . rr_6pqf 1
. 14 . 2762 . 1 1 16 CYS CA C -0.434 -9.889 -5.869 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . rr_6pqf 1
. 14 . 2763 . 1 1 16 CYS CB C -0.907 -11.313 -5.571 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . rr_6pqf 1
. 14 . 2764 . 1 1 16 CYS H H 1.382 -10.390 -4.904 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . rr_6pqf 1
. 14 . 2765 . 1 1 16 CYS HA H -0.526 -9.703 -6.929 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . rr_6pqf 1
. 14 . 2766 . 1 1 16 CYS HB2 H -1.076 -11.413 -4.509 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . rr_6pqf 1
. 14 . 2767 . 1 1 16 CYS HB3 H -1.832 -11.495 -6.097 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . rr_6pqf 1
. 14 . 2768 . 1 1 16 CYS N N 0.969 -9.735 -5.507 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . rr_6pqf 1
. 14 . 2769 . 1 1 16 CYS O O -0.947 -8.432 -4.030 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . rr_6pqf 1
. 14 . 2770 . 1 1 16 CYS SG S 0.276 -12.608 -6.065 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . rr_6pqf 1
. 14 . 2771 . 1 1 17 ALA C C -4.641 -8.291 -4.625 . . . 1.0 . . . . . . . . . . . . A . 17 ALA C . . . . . . . . . rr_6pqf 1
. 14 . 2772 . 1 1 17 ALA CA C -3.367 -7.595 -5.090 . . . 1.0 . . . . . . . . . . . . A . 17 ALA CA . . . . . . . . . rr_6pqf 1
. 14 . 2773 . 1 1 17 ALA CB C -3.700 -6.475 -6.065 . . . 1.0 . . . . . . . . . . . . A . 17 ALA CB . . . . . . . . . rr_6pqf 1
. 14 . 2774 . 1 1 17 ALA H H -2.674 -8.939 -6.571 . . . 1.0 . . . . . . . . . . . . A . 17 ALA H . . . . . . . . . rr_6pqf 1
. 14 . 2775 . 1 1 17 ALA HA H -2.874 -7.159 -4.233 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HA . . . . . . . . . rr_6pqf 1
. 14 . 2776 . 1 1 17 ALA HB1 H -2.812 -5.891 -6.257 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB1 . . . . . . . . . rr_6pqf 1
. 14 . 2777 . 1 1 17 ALA HB2 H -4.060 -6.899 -6.990 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB2 . . . . . . . . . rr_6pqf 1
. 14 . 2778 . 1 1 17 ALA HB3 H -4.463 -5.842 -5.638 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB3 . . . . . . . . . rr_6pqf 1
. 14 . 2779 . 1 1 17 ALA N N -2.445 -8.543 -5.705 . . . 1.0 . . . . . . . . . . . . A . 17 ALA N . . . . . . . . . rr_6pqf 1
. 14 . 2780 . 1 1 17 ALA O O -5.642 -8.274 -5.340 . . . 1.0 . . . . . . . . . . . . A . 17 ALA O . . . . . . . . . rr_6pqf 1
. 14 . 2781 . 1 1 18 ALA C C -6.638 -8.505 -2.152 . . . 1.0 . . . . . . . . . . . . A . 18 ALA C . . . . . . . . . rr_6pqf 1
. 14 . 2782 . 1 1 18 ALA CA C -5.709 -9.590 -2.858 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CA . . . . . . . . . rr_6pqf 1
. 14 . 2783 . 1 1 18 ALA CB C -5.309 -10.603 -1.849 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CB . . . . . . . . . rr_6pqf 1
. 14 . 2784 . 1 1 18 ALA H H -3.741 -8.847 -2.951 . . . 1.0 . . . . . . . . . . . . A . 18 ALA H . . . . . . . . . rr_6pqf 1
. 14 . 2785 . 1 1 18 ALA HA H -6.319 -10.003 -3.638 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HA . . . . . . . . . rr_6pqf 1
. 14 . 2786 . 1 1 18 ALA HB1 H -5.210 -10.138 -0.879 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB1 . . . . . . . . . rr_6pqf 1
. 14 . 2787 . 1 1 18 ALA HB2 H -6.100 -11.338 -1.812 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB2 . . . . . . . . . rr_6pqf 1
. 14 . 2788 . 1 1 18 ALA N N -4.585 -8.887 -3.449 . . . 1.0 . . . . . . . . . . . . A . 18 ALA N . . . . . . . . . rr_6pqf 1
. 14 . 2789 . 1 1 18 ALA O O -7.854 -8.496 -2.342 . . . 1.0 . . . . . . . . . . . . A . 18 ALA O . . . . . . . . . rr_6pqf 1
. 14 . 2790 . 1 1 19 SER C C -7.583 -5.756 -1.580 . . . 1.0 . . . . . . . . . . . . A . 19 SER C . . . . . . . . . rr_6pqf 1
. 14 . 2791 . 1 1 19 SER CA C -6.764 -6.616 -0.621 . . . 1.0 . . . . . . . . . . . . A . 19 SER CA . . . . . . . . . rr_6pqf 1
. 14 . 2792 . 1 1 19 SER CB C -5.803 -5.735 0.178 . . . 1.0 . . . . . . . . . . . . A . 19 SER CB . . . . . . . . . rr_6pqf 1
. 14 . 2793 . 1 1 19 SER H H -5.053 -7.700 -1.237 . . . 1.0 . . . . . . . . . . . . A . 19 SER H . . . . . . . . . rr_6pqf 1
. 14 . 2794 . 1 1 19 SER HA H -7.437 -7.113 0.062 . . . 1.0 . . . . . . . . . . . . A . 19 SER HA . . . . . . . . . rr_6pqf 1
. 14 . 2795 . 1 1 19 SER HB2 H -5.361 -6.317 0.972 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB2 . . . . . . . . . rr_6pqf 1
. 14 . 2796 . 1 1 19 SER HB3 H -5.025 -5.370 -0.476 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB3 . . . . . . . . . rr_6pqf 1
. 14 . 2797 . 1 1 19 SER HG H -6.591 -4.769 1.689 . . . 1.0 . . . . . . . . . . . . A . 19 SER HG . . . . . . . . . rr_6pqf 1
. 14 . 2798 . 1 1 19 SER N N -6.025 -7.643 -1.347 . . . 1.0 . . . . . . . . . . . . A . 19 SER N . . . . . . . . . rr_6pqf 1
. 14 . 2799 . 1 1 19 SER O O -7.132 -5.432 -2.677 . . . 1.0 . . . . . . . . . . . . A . 19 SER O . . . . . . . . . rr_6pqf 1
. 14 . 2800 . 1 1 19 SER OG O -6.479 -4.627 0.746 . . . 1.0 . . . . . . . . . . . . A . 19 SER OG . . . . . . . . . rr_6pqf 1
. 15 . 2801 . 1 1 1 ALA C C 2.671 -1.042 0.052 . . . 1.0 . . . . . . . . . . . . A . 1 ALA C . . . . . . . . . rr_6pqf 1
. 15 . 2802 . 1 1 1 ALA CA C 1.410 -0.246 0.370 . . . 1.0 . . . . . . . . . . . . A . 1 ALA CA . . . . . . . . . rr_6pqf 1
. 15 . 2803 . 1 1 1 ALA CB C 0.884 -0.618 1.749 . . . 1.0 . . . . . . . . . . . . A . 1 ALA CB . . . . . . . . . rr_6pqf 1
. 15 . 2804 . 1 1 1 ALA H1 H 0.027 0.301 -1.135 . . . 1.0 . . . . . . . . . . . . A . 1 ALA H1 . . . . . . . . . rr_6pqf 1
. 15 . 2805 . 1 1 1 ALA HA H 1.653 0.807 0.376 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HA . . . . . . . . . rr_6pqf 1
. 15 . 2806 . 1 1 1 ALA HB1 H 1.709 -0.686 2.442 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB1 . . . . . . . . . rr_6pqf 1
. 15 . 2807 . 1 1 1 ALA HB2 H 0.192 0.140 2.086 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB2 . . . . . . . . . rr_6pqf 1
. 15 . 2808 . 1 1 1 ALA HB3 H 0.378 -1.570 1.696 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB3 . . . . . . . . . rr_6pqf 1
. 15 . 2809 . 1 1 1 ALA N N 0.382 -0.466 -0.639 . . . 1.0 . . . . . . . . . . . . A . 1 ALA N . . . . . . . . . rr_6pqf 1
. 15 . 2810 . 1 1 1 ALA O O 3.270 -1.656 0.936 . . . 1.0 . . . . . . . . . . . . A . 1 ALA O . . . . . . . . . rr_6pqf 1
. 15 . 2811 . 1 1 2 CYS C C 4.835 -1.131 -2.923 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_6pqf 1
. 15 . 2812 . 1 1 2 CYS CA C 4.259 -1.749 -1.652 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_6pqf 1
. 15 . 2813 . 1 1 2 CYS CB C 3.928 -3.223 -1.894 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_6pqf 1
. 15 . 2814 . 1 1 2 CYS H H 2.550 -0.520 -1.875 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_6pqf 1
. 15 . 2815 . 1 1 2 CYS HA H 4.996 -1.679 -0.867 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_6pqf 1
. 15 . 2816 . 1 1 2 CYS HB2 H 3.205 -3.547 -1.159 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_6pqf 1
. 15 . 2817 . 1 1 2 CYS HB3 H 3.503 -3.332 -2.881 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_6pqf 1
. 15 . 2818 . 1 1 2 CYS N N 3.070 -1.028 -1.216 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_6pqf 1
. 15 . 2819 . 1 1 2 CYS O O 4.117 -0.503 -3.700 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_6pqf 1
. 15 . 2820 . 1 1 2 CYS SG S 5.365 -4.337 -1.781 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_6pqf 1
. 15 . 2821 . 1 1 3 GLY C C 7.117 -1.835 -5.330 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6pqf 1
. 15 . 2822 . 1 1 3 GLY CA C 6.786 -0.769 -4.304 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6pqf 1
. 15 . 2823 . 1 1 3 GLY H H 6.658 -1.823 -2.473 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6pqf 1
. 15 . 2824 . 1 1 3 GLY HA2 H 6.132 -0.039 -4.757 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6pqf 1
. 15 . 2825 . 1 1 3 GLY HA3 H 7.700 -0.279 -4.002 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6pqf 1
. 15 . 2826 . 1 1 3 GLY N N 6.136 -1.314 -3.127 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6pqf 1
. 15 . 2827 . 1 1 3 GLY O O 7.124 -1.582 -6.535 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6pqf 1
. 15 . 2828 . 1 1 4 . C C 9.225 -4.159 -6.150 . . . 1.0 . . . . . . . . . . . . A . 4 DBB C . . . . . . . . . rr_6pqf 1
. 15 . 2829 . 1 1 4 . CA C 7.731 -4.106 -5.783 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CA . . . . . . . . . rr_6pqf 1
. 15 . 2830 . 1 1 4 . CB C 7.246 -5.438 -5.176 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CB . . . . . . . . . rr_6pqf 1
. 15 . 2831 . 1 1 4 . CG C 7.380 -6.546 -6.208 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CG . . . . . . . . . rr_6pqf 1
. 15 . 2832 . 1 1 4 . H H 7.381 -3.201 -3.888 . . . 1.0 . . . . . . . . . . . . A . 4 DBB H . . . . . . . . . rr_6pqf 1
. 15 . 2833 . 1 1 4 . HA H 7.171 -3.942 -6.682 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HA . . . . . . . . . rr_6pqf 1
. 15 . 2834 . 1 1 4 . HB2 H 6.202 -5.304 -4.992 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HB2 . . . . . . . . . rr_6pqf 1
. 15 . 2835 . 1 1 4 . HG1 H 8.428 -6.727 -6.392 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG1 . . . . . . . . . rr_6pqf 1
. 15 . 2836 . 1 1 4 . HG2 H 6.897 -6.245 -7.126 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG2 . . . . . . . . . rr_6pqf 1
. 15 . 2837 . 1 1 4 . HG3 H 6.919 -7.445 -5.832 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG3 . . . . . . . . . rr_6pqf 1
. 15 . 2838 . 1 1 4 . N N 7.396 -3.034 -4.858 . . . 1.0 . . . . . . . . . . . . A . 4 DBB N . . . . . . . . . rr_6pqf 1
. 15 . 2839 . 1 1 4 . O O 9.536 -4.165 -7.340 . . . 1.0 . . . . . . . . . . . . A . 4 DBB O . . . . . . . . . rr_6pqf 1
. 15 . 2840 . 1 1 5 GLY C C 11.948 -5.265 -6.391 . . . 1.0 . . . . . . . . . . . . A . 5 GLY C . . . . . . . . . rr_6pqf 1
. 15 . 2841 . 1 1 5 GLY CA C 11.542 -4.139 -5.461 . . . 1.0 . . . . . . . . . . . . A . 5 GLY CA . . . . . . . . . rr_6pqf 1
. 15 . 2842 . 1 1 5 GLY H H 9.815 -4.141 -4.237 . . . 1.0 . . . . . . . . . . . . A . 5 GLY H . . . . . . . . . rr_6pqf 1
. 15 . 2843 . 1 1 5 GLY HA2 H 11.799 -3.196 -5.921 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA2 . . . . . . . . . rr_6pqf 1
. 15 . 2844 . 1 1 5 GLY HA3 H 12.090 -4.237 -4.535 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA3 . . . . . . . . . rr_6pqf 1
. 15 . 2845 . 1 1 5 GLY N N 10.121 -4.146 -5.168 . . . 1.0 . . . . . . . . . . . . A . 5 GLY N . . . . . . . . . rr_6pqf 1
. 15 . 2846 . 1 1 5 GLY O O 11.900 -5.184 -7.615 . . . 1.0 . . . . . . . . . . . . A . 5 GLY O . . . . . . . . . rr_6pqf 1
. 15 . 2847 . 1 1 6 . C C 11.488 -8.447 -6.891 . . . 1.0 . . . . . . . . . . . . A . 6 IAS C . . . . . . . . . rr_6pqf 1
. 15 . 2848 . 1 1 6 . CA C 12.692 -7.566 -6.608 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CA . . . . . . . . . rr_6pqf 1
. 15 . 2849 . 1 1 6 . CB C 13.853 -8.401 -6.038 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CB . . . . . . . . . rr_6pqf 1
. 15 . 2850 . 1 1 6 . CG C 13.646 -8.814 -4.587 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CG . . . . . . . . . rr_6pqf 1
. 15 . 2851 . 1 1 6 . H H 12.421 -6.473 -4.814 . . . 1.0 . . . . . . . . . . . . A . 6 IAS H . . . . . . . . . rr_6pqf 1
. 15 . 2852 . 1 1 6 . HA H 12.976 -7.212 -7.592 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HA . . . . . . . . . rr_6pqf 1
. 15 . 2853 . 1 1 6 . HB2 H 14.743 -7.788 -6.050 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HB2 . . . . . . . . . rr_6pqf 1
. 15 . 2854 . 1 1 6 . HB3 H 14.003 -9.265 -6.666 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HB3 . . . . . . . . . rr_6pqf 1
. 15 . 2855 . 1 1 6 . HXT H 10.569 -8.106 -8.555 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HXT . . . . . . . . . rr_6pqf 1
. 15 . 2856 . 1 1 6 . N N 12.379 -6.395 -5.806 . . . 1.0 . . . . . . . . . . . . A . 6 IAS N . . . . . . . . . rr_6pqf 1
. 15 . 2857 . 1 1 6 . O O 10.842 -9.012 -6.046 . . . 1.0 . . . . . . . . . . . . A . 6 IAS O . . . . . . . . . rr_6pqf 1
. 15 . 2858 . 1 1 6 . OD1 O 13.335 -9.965 -4.282 . . . 1.0 . . . . . . . . . . . . A . 6 IAS OD1 . . . . . . . . . rr_6pqf 1
. 15 . 2859 . 1 1 6 . OXT O 11.306 -8.631 -8.208 . . . 1.0 . . . . . . . . . . . . A . 6 IAS OXT . . . . . . . . . rr_6pqf 1
. 15 . 2860 . 1 1 7 GLY C C 12.197 -7.975 -1.831 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . rr_6pqf 1
. 15 . 2861 . 1 1 7 GLY CA C 13.640 -8.114 -2.272 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . rr_6pqf 1
. 15 . 2862 . 1 1 7 GLY H H 14.064 -6.950 -3.989 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . rr_6pqf 1
. 15 . 2863 . 1 1 7 GLY HA2 H 13.975 -9.119 -2.061 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . rr_6pqf 1
. 15 . 2864 . 1 1 7 GLY HA3 H 14.245 -7.418 -1.709 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . rr_6pqf 1
. 15 . 2865 . 1 1 7 GLY N N 13.816 -7.849 -3.688 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . rr_6pqf 1
. 15 . 2866 . 1 1 7 GLY O O 11.898 -8.010 -0.637 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . rr_6pqf 1
. 15 . 2867 . 1 1 8 CYS C C 9.229 -9.026 -2.254 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . rr_6pqf 1
. 15 . 2868 . 1 1 8 CYS CA C 9.878 -7.667 -2.503 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . rr_6pqf 1
. 15 . 2869 . 1 1 8 CYS CB C 9.168 -6.955 -3.656 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . rr_6pqf 1
. 15 . 2870 . 1 1 8 CYS H H 11.597 -7.795 -3.731 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . rr_6pqf 1
. 15 . 2871 . 1 1 8 CYS HA H 9.784 -7.069 -1.610 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . rr_6pqf 1
. 15 . 2872 . 1 1 8 CYS HB2 H 9.894 -6.387 -4.219 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . rr_6pqf 1
. 15 . 2873 . 1 1 8 CYS HB3 H 8.717 -7.694 -4.302 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . rr_6pqf 1
. 15 . 2874 . 1 1 8 CYS N N 11.298 -7.815 -2.797 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . rr_6pqf 1
. 15 . 2875 . 1 1 8 CYS O O 9.862 -10.068 -2.427 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . rr_6pqf 1
. 15 . 2876 . 1 1 8 CYS SG S 7.858 -5.806 -3.126 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . rr_6pqf 1
. 15 . 2877 . 1 1 9 ALA C C 6.341 -10.616 -2.757 . . . 1.0 . . . . . . . . . . . . A . 9 ALA C . . . . . . . . . rr_6pqf 1
. 15 . 2878 . 1 1 9 ALA CA C 7.230 -10.237 -1.578 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CA . . . . . . . . . rr_6pqf 1
. 15 . 2879 . 1 1 9 ALA CB C 6.396 -10.087 -0.313 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CB . . . . . . . . . rr_6pqf 1
. 15 . 2880 . 1 1 9 ALA H H 7.514 -8.145 -1.728 . . . 1.0 . . . . . . . . . . . . A . 9 ALA H . . . . . . . . . rr_6pqf 1
. 15 . 2881 . 1 1 9 ALA HA H 7.949 -11.026 -1.414 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HA . . . . . . . . . rr_6pqf 1
. 15 . 2882 . 1 1 9 ALA HB1 H 5.770 -9.210 -0.398 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB1 . . . . . . . . . rr_6pqf 1
. 15 . 2883 . 1 1 9 ALA HB2 H 5.777 -10.961 -0.185 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB2 . . . . . . . . . rr_6pqf 1
. 15 . 2884 . 1 1 9 ALA HB3 H 7.051 -9.981 0.538 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB3 . . . . . . . . . rr_6pqf 1
. 15 . 2885 . 1 1 9 ALA N N 7.964 -9.007 -1.848 . . . 1.0 . . . . . . . . . . . . A . 9 ALA N . . . . . . . . . rr_6pqf 1
. 15 . 2886 . 1 1 9 ALA O O 6.050 -9.787 -3.621 . . . 1.0 . . . . . . . . . . . . A . 9 ALA O . . . . . . . . . rr_6pqf 1
. 15 . 2887 . 1 1 10 LYS C C 3.622 -12.546 -3.375 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_6pqf 1
. 15 . 2888 . 1 1 10 LYS CA C 5.056 -12.363 -3.863 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_6pqf 1
. 15 . 2889 . 1 1 10 LYS CB C 5.593 -13.688 -4.407 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_6pqf 1
. 15 . 2890 . 1 1 10 LYS CD C 5.344 -14.872 -2.206 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_6pqf 1
. 15 . 2891 . 1 1 10 LYS CE C 6.841 -14.934 -1.943 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_6pqf 1
. 15 . 2892 . 1 1 10 LYS CG C 5.038 -14.909 -3.694 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_6pqf 1
. 15 . 2893 . 1 1 10 LYS H H 6.178 -12.487 -2.072 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_6pqf 1
. 15 . 2894 . 1 1 10 LYS HA H 5.063 -11.629 -4.654 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_6pqf 1
. 15 . 2895 . 1 1 10 LYS HB2 H 5.340 -13.763 -5.454 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_6pqf 1
. 15 . 2896 . 1 1 10 LYS HB3 H 6.669 -13.696 -4.305 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_6pqf 1
. 15 . 2897 . 1 1 10 LYS HD2 H 4.955 -13.955 -1.789 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_6pqf 1
. 15 . 2898 . 1 1 10 LYS HD3 H 4.869 -15.718 -1.729 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_6pqf 1
. 15 . 2899 . 1 1 10 LYS HE2 H 7.239 -15.822 -2.409 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_6pqf 1
. 15 . 2900 . 1 1 10 LYS HE3 H 7.306 -14.061 -2.378 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_6pqf 1
. 15 . 2901 . 1 1 10 LYS HG2 H 3.967 -14.938 -3.829 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_6pqf 1
. 15 . 2902 . 1 1 10 LYS HG3 H 5.481 -15.797 -4.122 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_6pqf 1
. 15 . 2903 . 1 1 10 LYS HZ1 H 7.270 -15.956 -0.173 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . rr_6pqf 1
. 15 . 2904 . 1 1 10 LYS HZ2 H 6.370 -14.543 0.054 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . rr_6pqf 1
. 15 . 2905 . 1 1 10 LYS HZ3 H 8.023 -14.445 -0.291 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_6pqf 1
. 15 . 2906 . 1 1 10 LYS N N 5.912 -11.873 -2.789 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_6pqf 1
. 15 . 2907 . 1 1 10 LYS NZ N 7.148 -14.972 -0.486 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_6pqf 1
. 15 . 2908 . 1 1 10 LYS O O 3.324 -12.397 -2.189 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_6pqf 1
. 15 . 2909 . 1 1 11 . C C 0.696 -11.799 -3.298 . . . 1.0 . . . . . . . . . . . . A . 11 DBB C . . . . . . . . . rr_6pqf 1
. 15 . 2910 . 1 1 11 . CA C 1.343 -13.058 -3.904 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CA . . . . . . . . . rr_6pqf 1
. 15 . 2911 . 1 1 11 . CB C 0.560 -13.564 -5.132 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CB . . . . . . . . . rr_6pqf 1
. 15 . 2912 . 1 1 11 . CG C -0.839 -13.980 -4.710 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CG . . . . . . . . . rr_6pqf 1
. 15 . 2913 . 1 1 11 . H H 3.005 -12.981 -5.230 . . . 1.0 . . . . . . . . . . . . A . 11 DBB H . . . . . . . . . rr_6pqf 1
. 15 . 2914 . 1 1 11 . HA H 1.316 -13.835 -3.166 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HA . . . . . . . . . rr_6pqf 1
. 15 . 2915 . 1 1 11 . HB2 H 1.069 -14.449 -5.449 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HB2 . . . . . . . . . rr_6pqf 1
. 15 . 2916 . 1 1 11 . HG1 H -1.331 -14.451 -5.548 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG1 . . . . . . . . . rr_6pqf 1
. 15 . 2917 . 1 1 11 . HG2 H -1.399 -13.108 -4.405 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG2 . . . . . . . . . rr_6pqf 1
. 15 . 2918 . 1 1 11 . HG3 H -0.776 -14.677 -3.890 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG3 . . . . . . . . . rr_6pqf 1
. 15 . 2919 . 1 1 11 . N N 2.731 -12.870 -4.291 . . . 1.0 . . . . . . . . . . . . A . 11 DBB N . . . . . . . . . rr_6pqf 1
. 15 . 2920 . 1 1 11 . O O 1.054 -10.697 -3.715 . . . 1.0 . . . . . . . . . . . . A . 11 DBB O . . . . . . . . . rr_6pqf 1
. 15 . 2921 . 1 1 12 CYS C C -0.083 -10.111 -0.765 . . . 1.0 . . . . . . . . . . . . A . 12 CYS C . . . . . . . . . rr_6pqf 1
. 15 . 2922 . 1 1 12 CYS CA C -0.953 -10.809 -1.807 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CA . . . . . . . . . rr_6pqf 1
. 15 . 2923 . 1 1 12 CYS CB C -2.271 -11.256 -1.170 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CB . . . . . . . . . rr_6pqf 1
. 15 . 2924 . 1 1 12 CYS H H -0.499 -12.856 -2.092 . . . 1.0 . . . . . . . . . . . . A . 12 CYS H . . . . . . . . . rr_6pqf 1
. 15 . 2925 . 1 1 12 CYS HA H -1.167 -10.113 -2.604 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HA . . . . . . . . . rr_6pqf 1
. 15 . 2926 . 1 1 12 CYS HB2 H -2.061 -11.724 -0.219 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB2 . . . . . . . . . rr_6pqf 1
. 15 . 2927 . 1 1 12 CYS HB3 H -2.896 -10.391 -1.010 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB3 . . . . . . . . . rr_6pqf 1
. 15 . 2928 . 1 1 12 CYS N N -0.257 -11.952 -2.385 . . . 1.0 . . . . . . . . . . . . A . 12 CYS N . . . . . . . . . rr_6pqf 1
. 15 . 2929 . 1 1 12 CYS O O -0.459 -10.006 0.402 . . . 1.0 . . . . . . . . . . . . A . 12 CYS O . . . . . . . . . rr_6pqf 1
. 15 . 2930 . 1 1 12 CYS SG S -3.216 -12.446 -2.175 . . . 1.0 . . . . . . . . . . . . A . 12 CYS SG . . . . . . . . . rr_6pqf 1
. 15 . 2931 . 1 1 13 ALA C C 2.417 -7.596 -0.877 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . rr_6pqf 1
. 15 . 2932 . 1 1 13 ALA CA C 2.003 -8.947 -0.303 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . rr_6pqf 1
. 15 . 2933 . 1 1 13 ALA CB C 3.229 -9.810 -0.043 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . rr_6pqf 1
. 15 . 2934 . 1 1 13 ALA H H 1.324 -9.752 -2.139 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . rr_6pqf 1
. 15 . 2935 . 1 1 13 ALA HA H 1.499 -8.788 0.639 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . rr_6pqf 1
. 15 . 2936 . 1 1 13 ALA HB1 H 3.825 -9.868 -0.942 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . rr_6pqf 1
. 15 . 2937 . 1 1 13 ALA HB2 H 3.815 -9.372 0.751 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . rr_6pqf 1
. 15 . 2938 . 1 1 13 ALA HB3 H 2.916 -10.802 0.246 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . rr_6pqf 1
. 15 . 2939 . 1 1 13 ALA N N 1.081 -9.637 -1.197 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . rr_6pqf 1
. 15 . 2940 . 1 1 13 ALA O O 2.590 -6.640 -0.123 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . rr_6pqf 1
. 15 . 2941 . 1 1 14 ALA C C 2.728 -6.592 -4.449 . . . 1.0 . . . . . . . . . . . . A . 14 ALA C . . . . . . . . . rr_6pqf 1
. 15 . 2942 . 1 1 14 ALA CA C 2.953 -6.332 -2.893 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CA . . . . . . . . . rr_6pqf 1
. 15 . 2943 . 1 1 14 ALA CB C 4.369 -5.945 -2.675 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CB . . . . . . . . . rr_6pqf 1
. 15 . 2944 . 1 1 14 ALA H H 2.407 -8.357 -2.706 . . . 1.0 . . . . . . . . . . . . A . 14 ALA H . . . . . . . . . rr_6pqf 1
. 15 . 2945 . 1 1 14 ALA HA H 2.267 -5.544 -2.649 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HA . . . . . . . . . rr_6pqf 1
. 15 . 2946 . 1 1 14 ALA HB1 H 4.884 -6.722 -2.129 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB1 . . . . . . . . . rr_6pqf 1
. 15 . 2947 . 1 1 14 ALA HB2 H 4.820 -5.838 -3.650 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB2 . . . . . . . . . rr_6pqf 1
. 15 . 2948 . 1 1 14 ALA N N 2.568 -7.541 -2.187 . . . 1.0 . . . . . . . . . . . . A . 14 ALA N . . . . . . . . . rr_6pqf 1
. 15 . 2949 . 1 1 14 ALA O O 2.202 -5.738 -5.162 . . . 1.0 . . . . . . . . . . . . A . 14 ALA O . . . . . . . . . rr_6pqf 1
. 15 . 2950 . 1 1 15 SER C C 1.574 -8.319 -6.710 . . . 1.0 . . . . . . . . . . . . A . 15 SER C . . . . . . . . . rr_6pqf 1
. 15 . 2951 . 1 1 15 SER CA C 3.036 -8.111 -6.327 . . . 1.0 . . . . . . . . . . . . A . 15 SER CA . . . . . . . . . rr_6pqf 1
. 15 . 2952 . 1 1 15 SER CB C 3.840 -9.377 -6.631 . . . 1.0 . . . . . . . . . . . . A . 15 SER CB . . . . . . . . . rr_6pqf 1
. 15 . 2953 . 1 1 15 SER H H 3.570 -8.400 -4.298 . . . 1.0 . . . . . . . . . . . . A . 15 SER H . . . . . . . . . rr_6pqf 1
. 15 . 2954 . 1 1 15 SER HA H 3.435 -7.293 -6.907 . . . 1.0 . . . . . . . . . . . . A . 15 SER HA . . . . . . . . . rr_6pqf 1
. 15 . 2955 . 1 1 15 SER HB2 H 3.651 -9.684 -7.648 . . . 1.0 . . . . . . . . . . . . A . 15 SER HB2 . . . . . . . . . rr_6pqf 1
. 15 . 2956 . 1 1 15 SER HB3 H 4.893 -9.169 -6.506 . . . 1.0 . . . . . . . . . . . . A . 15 SER HB3 . . . . . . . . . rr_6pqf 1
. 15 . 2957 . 1 1 15 SER HG H 3.340 -11.236 -6.268 . . . 1.0 . . . . . . . . . . . . A . 15 SER HG . . . . . . . . . rr_6pqf 1
. 15 . 2958 . 1 1 15 SER N N 3.158 -7.760 -4.916 . . . 1.0 . . . . . . . . . . . . A . 15 SER N . . . . . . . . . rr_6pqf 1
. 15 . 2959 . 1 1 15 SER O O 0.985 -7.506 -7.422 . . . 1.0 . . . . . . . . . . . . A . 15 SER O . . . . . . . . . rr_6pqf 1
. 15 . 2960 . 1 1 15 SER OG O 3.477 -10.433 -5.759 . . . 1.0 . . . . . . . . . . . . A . 15 SER OG . . . . . . . . . rr_6pqf 1
. 15 . 2961 . 1 1 16 CYS C C -1.339 -8.899 -5.659 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . rr_6pqf 1
. 15 . 2962 . 1 1 16 CYS CA C -0.398 -9.734 -6.523 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . rr_6pqf 1
. 15 . 2963 . 1 1 16 CYS CB C -0.662 -11.223 -6.293 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . rr_6pqf 1
. 15 . 2964 . 1 1 16 CYS H H 1.516 -10.026 -5.669 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . rr_6pqf 1
. 15 . 2965 . 1 1 16 CYS HA H -0.582 -9.501 -7.561 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . rr_6pqf 1
. 15 . 2966 . 1 1 16 CYS HB2 H -0.773 -11.401 -5.233 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . rr_6pqf 1
. 15 . 2967 . 1 1 16 CYS HB3 H -1.576 -11.501 -6.796 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . rr_6pqf 1
. 15 . 2968 . 1 1 16 CYS N N 0.994 -9.415 -6.232 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . rr_6pqf 1
. 15 . 2969 . 1 1 16 CYS O O -0.979 -8.477 -4.561 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . rr_6pqf 1
. 15 . 2970 . 1 1 16 CYS SG S 0.662 -12.316 -6.901 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . rr_6pqf 1
. 15 . 2971 . 1 1 17 ALA C C -4.694 -8.765 -4.967 . . . 1.0 . . . . . . . . . . . . A . 17 ALA C . . . . . . . . . rr_6pqf 1
. 15 . 2972 . 1 1 17 ALA CA C -3.540 -7.885 -5.437 . . . 1.0 . . . . . . . . . . . . A . 17 ALA CA . . . . . . . . . rr_6pqf 1
. 15 . 2973 . 1 1 17 ALA CB C -4.060 -6.751 -6.308 . . . 1.0 . . . . . . . . . . . . A . 17 ALA CB . . . . . . . . . rr_6pqf 1
. 15 . 2974 . 1 1 17 ALA H H -2.775 -9.030 -7.044 . . . 1.0 . . . . . . . . . . . . A . 17 ALA H . . . . . . . . . rr_6pqf 1
. 15 . 2975 . 1 1 17 ALA HA H -3.057 -7.451 -4.574 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HA . . . . . . . . . rr_6pqf 1
. 15 . 2976 . 1 1 17 ALA HB1 H -3.226 -6.174 -6.681 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB1 . . . . . . . . . rr_6pqf 1
. 15 . 2977 . 1 1 17 ALA HB2 H -4.614 -7.161 -7.139 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB2 . . . . . . . . . rr_6pqf 1
. 15 . 2978 . 1 1 17 ALA HB3 H -4.705 -6.114 -5.723 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB3 . . . . . . . . . rr_6pqf 1
. 15 . 2979 . 1 1 17 ALA N N -2.547 -8.666 -6.163 . . . 1.0 . . . . . . . . . . . . A . 17 ALA N . . . . . . . . . rr_6pqf 1
. 15 . 2980 . 1 1 17 ALA O O -5.728 -8.823 -5.632 . . . 1.0 . . . . . . . . . . . . A . 17 ALA O . . . . . . . . . rr_6pqf 1
. 15 . 2981 . 1 1 18 ALA C C -6.567 -9.385 -2.510 . . . 1.0 . . . . . . . . . . . . A . 18 ALA C . . . . . . . . . rr_6pqf 1
. 15 . 2982 . 1 1 18 ALA CA C -5.498 -10.303 -3.254 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CA . . . . . . . . . rr_6pqf 1
. 15 . 2983 . 1 1 18 ALA CB C -4.935 -11.267 -2.276 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CB . . . . . . . . . rr_6pqf 1
. 15 . 2984 . 1 1 18 ALA H H -3.643 -9.317 -3.381 . . . 1.0 . . . . . . . . . . . . A . 18 ALA H . . . . . . . . . rr_6pqf 1
. 15 . 2985 . 1 1 18 ALA HA H -6.053 -10.786 -4.036 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HA . . . . . . . . . rr_6pqf 1
. 15 . 2986 . 1 1 18 ALA HB1 H -4.820 -10.791 -1.313 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB1 . . . . . . . . . rr_6pqf 1
. 15 . 2987 . 1 1 18 ALA HB2 H -5.644 -12.077 -2.188 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB2 . . . . . . . . . rr_6pqf 1
. 15 . 2988 . 1 1 18 ALA N N -4.501 -9.427 -3.842 . . . 1.0 . . . . . . . . . . . . A . 18 ALA N . . . . . . . . . rr_6pqf 1
. 15 . 2989 . 1 1 18 ALA O O -7.774 -9.591 -2.639 . . . 1.0 . . . . . . . . . . . . A . 18 ALA O . . . . . . . . . rr_6pqf 1
. 15 . 2990 . 1 1 19 SER C C -7.827 -6.704 -1.925 . . . 1.0 . . . . . . . . . . . . A . 19 SER C . . . . . . . . . rr_6pqf 1
. 15 . 2991 . 1 1 19 SER CA C -6.946 -7.525 -0.987 . . . 1.0 . . . . . . . . . . . . A . 19 SER CA . . . . . . . . . rr_6pqf 1
. 15 . 2992 . 1 1 19 SER CB C -6.114 -6.592 -0.105 . . . 1.0 . . . . . . . . . . . . A . 19 SER CB . . . . . . . . . rr_6pqf 1
. 15 . 2993 . 1 1 19 SER H H -5.104 -8.304 -1.680 . . . 1.0 . . . . . . . . . . . . A . 19 SER H . . . . . . . . . rr_6pqf 1
. 15 . 2994 . 1 1 19 SER HA H -7.579 -8.132 -0.357 . . . 1.0 . . . . . . . . . . . . A . 19 SER HA . . . . . . . . . rr_6pqf 1
. 15 . 2995 . 1 1 19 SER HB2 H -5.478 -5.983 -0.729 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB2 . . . . . . . . . rr_6pqf 1
. 15 . 2996 . 1 1 19 SER HB3 H -6.775 -5.956 0.466 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB3 . . . . . . . . . rr_6pqf 1
. 15 . 2997 . 1 1 19 SER HG H -4.381 -7.095 0.657 . . . 1.0 . . . . . . . . . . . . A . 19 SER HG . . . . . . . . . rr_6pqf 1
. 15 . 2998 . 1 1 19 SER N N -6.076 -8.418 -1.742 . . . 1.0 . . . . . . . . . . . . A . 19 SER N . . . . . . . . . rr_6pqf 1
. 15 . 2999 . 1 1 19 SER O O -7.425 -6.373 -3.038 . . . 1.0 . . . . . . . . . . . . A . 19 SER O . . . . . . . . . rr_6pqf 1
. 15 . 3000 . 1 1 19 SER OG O -5.302 -7.329 0.792 . . . 1.0 . . . . . . . . . . . . A . 19 SER OG . . . . . . . . . rr_6pqf 1
. 16 . 3001 . 1 1 1 ALA C C 3.771 -0.293 -1.676 . . . 1.0 . . . . . . . . . . . . A . 1 ALA C . . . . . . . . . rr_6pqf 1
. 16 . 3002 . 1 1 1 ALA CA C 2.285 0.050 -1.642 . . . 1.0 . . . . . . . . . . . . A . 1 ALA CA . . . . . . . . . rr_6pqf 1
. 16 . 3003 . 1 1 1 ALA CB C 1.720 -0.181 -0.249 . . . 1.0 . . . . . . . . . . . . A . 1 ALA CB . . . . . . . . . rr_6pqf 1
. 16 . 3004 . 1 1 1 ALA H1 H 1.622 -1.708 -2.616 . . . 1.0 . . . . . . . . . . . . A . 1 ALA H1 . . . . . . . . . rr_6pqf 1
. 16 . 3005 . 1 1 1 ALA HA H 2.162 1.095 -1.886 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HA . . . . . . . . . rr_6pqf 1
. 16 . 3006 . 1 1 1 ALA HB1 H 2.438 0.146 0.489 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB1 . . . . . . . . . rr_6pqf 1
. 16 . 3007 . 1 1 1 ALA HB2 H 0.804 0.380 -0.135 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB2 . . . . . . . . . rr_6pqf 1
. 16 . 3008 . 1 1 1 ALA HB3 H 1.518 -1.233 -0.113 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB3 . . . . . . . . . rr_6pqf 1
. 16 . 3009 . 1 1 1 ALA N N 1.544 -0.732 -2.625 . . . 1.0 . . . . . . . . . . . . A . 1 ALA N . . . . . . . . . rr_6pqf 1
. 16 . 3010 . 1 1 1 ALA O O 4.624 0.587 -1.556 . . . 1.0 . . . . . . . . . . . . A . 1 ALA O . . . . . . . . . rr_6pqf 1
. 16 . 3011 . 1 1 2 CYS C C 6.258 -1.241 -2.914 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_6pqf 1
. 16 . 3012 . 1 1 2 CYS CA C 5.457 -2.036 -1.887 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_6pqf 1
. 16 . 3013 . 1 1 2 CYS CB C 5.509 -3.527 -2.226 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_6pqf 1
. 16 . 3014 . 1 1 2 CYS H H 3.349 -2.231 -1.929 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_6pqf 1
. 16 . 3015 . 1 1 2 CYS HA H 5.892 -1.882 -0.912 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_6pqf 1
. 16 . 3016 . 1 1 2 CYS HB2 H 4.637 -3.786 -2.809 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_6pqf 1
. 16 . 3017 . 1 1 2 CYS HB3 H 6.397 -3.725 -2.808 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_6pqf 1
. 16 . 3018 . 1 1 2 CYS N N 4.074 -1.576 -1.839 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_6pqf 1
. 16 . 3019 . 1 1 2 CYS O O 7.064 -0.382 -2.559 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_6pqf 1
. 16 . 3020 . 1 1 2 CYS SG S 5.544 -4.619 -0.769 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_6pqf 1
. 16 . 3021 . 1 1 3 GLY C C 7.674 -1.753 -6.019 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6pqf 1
. 16 . 3022 . 1 1 3 GLY CA C 6.739 -0.840 -5.250 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6pqf 1
. 16 . 3023 . 1 1 3 GLY H H 5.377 -2.230 -4.415 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6pqf 1
. 16 . 3024 . 1 1 3 GLY HA2 H 6.018 -0.421 -5.935 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6pqf 1
. 16 . 3025 . 1 1 3 GLY HA3 H 7.316 -0.037 -4.815 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6pqf 1
. 16 . 3026 . 1 1 3 GLY N N 6.031 -1.535 -4.191 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6pqf 1
. 16 . 3027 . 1 1 3 GLY O O 8.592 -1.298 -6.701 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6pqf 1
. 16 . 3028 . 1 1 4 . C C 9.805 -3.788 -6.319 . . . 1.0 . . . . . . . . . . . . A . 4 DBB C . . . . . . . . . rr_6pqf 1
. 16 . 3029 . 1 1 4 . CA C 8.308 -3.985 -6.616 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CA . . . . . . . . . rr_6pqf 1
. 16 . 3030 . 1 1 4 . CB C 7.844 -5.416 -6.279 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CB . . . . . . . . . rr_6pqf 1
. 16 . 3031 . 1 1 4 . CG C 8.576 -6.411 -7.166 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CG . . . . . . . . . rr_6pqf 1
. 16 . 3032 . 1 1 4 . H H 6.703 -3.376 -5.357 . . . 1.0 . . . . . . . . . . . . A . 4 DBB H . . . . . . . . . rr_6pqf 1
. 16 . 3033 . 1 1 4 . HA H 8.153 -3.838 -7.666 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HA . . . . . . . . . rr_6pqf 1
. 16 . 3034 . 1 1 4 . HB2 H 6.811 -5.452 -6.551 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HB2 . . . . . . . . . rr_6pqf 1
. 16 . 3035 . 1 1 4 . HG1 H 9.628 -6.383 -6.926 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG1 . . . . . . . . . rr_6pqf 1
. 16 . 3036 . 1 1 4 . HG2 H 8.433 -6.144 -8.202 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG2 . . . . . . . . . rr_6pqf 1
. 16 . 3037 . 1 1 4 . HG3 H 8.191 -7.402 -6.988 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG3 . . . . . . . . . rr_6pqf 1
. 16 . 3038 . 1 1 4 . N N 7.447 -3.048 -5.912 . . . 1.0 . . . . . . . . . . . . A . 4 DBB N . . . . . . . . . rr_6pqf 1
. 16 . 3039 . 1 1 4 . O O 10.570 -3.599 -7.263 . . . 1.0 . . . . . . . . . . . . A . 4 DBB O . . . . . . . . . rr_6pqf 1
. 16 . 3040 . 1 1 5 GLY C C 12.542 -4.451 -5.481 . . . 1.0 . . . . . . . . . . . . A . 5 GLY C . . . . . . . . . rr_6pqf 1
. 16 . 3041 . 1 1 5 GLY CA C 11.598 -3.547 -4.714 . . . 1.0 . . . . . . . . . . . . A . 5 GLY CA . . . . . . . . . rr_6pqf 1
. 16 . 3042 . 1 1 5 GLY H H 9.551 -3.940 -4.339 . . . 1.0 . . . . . . . . . . . . A . 5 GLY H . . . . . . . . . rr_6pqf 1
. 16 . 3043 . 1 1 5 GLY HA2 H 11.841 -2.518 -4.936 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA2 . . . . . . . . . rr_6pqf 1
. 16 . 3044 . 1 1 5 GLY HA3 H 11.734 -3.718 -3.656 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA3 . . . . . . . . . rr_6pqf 1
. 16 . 3045 . 1 1 5 GLY N N 10.206 -3.783 -5.051 . . . 1.0 . . . . . . . . . . . . A . 5 GLY N . . . . . . . . . rr_6pqf 1
. 16 . 3046 . 1 1 5 GLY O O 13.005 -4.168 -6.582 . . . 1.0 . . . . . . . . . . . . A . 5 GLY O . . . . . . . . . rr_6pqf 1
. 16 . 3047 . 1 1 6 . C C 12.866 -7.587 -6.400 . . . 1.0 . . . . . . . . . . . . A . 6 IAS C . . . . . . . . . rr_6pqf 1
. 16 . 3048 . 1 1 6 . CA C 13.679 -6.593 -5.592 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CA . . . . . . . . . rr_6pqf 1
. 16 . 3049 . 1 1 6 . CB C 14.673 -7.326 -4.671 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CB . . . . . . . . . rr_6pqf 1
. 16 . 3050 . 1 1 6 . CG C 14.013 -7.974 -3.462 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CG . . . . . . . . . rr_6pqf 1
. 16 . 3051 . 1 1 6 . H H 12.494 -5.854 -3.998 . . . 1.0 . . . . . . . . . . . . A . 6 IAS H . . . . . . . . . rr_6pqf 1
. 16 . 3052 . 1 1 6 . HA H 14.243 -6.057 -6.346 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HA . . . . . . . . . rr_6pqf 1
. 16 . 3053 . 1 1 6 . HB2 H 15.366 -6.596 -4.279 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HB2 . . . . . . . . . rr_6pqf 1
. 16 . 3054 . 1 1 6 . HB3 H 15.213 -8.057 -5.253 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HB3 . . . . . . . . . rr_6pqf 1
. 16 . 3055 . 1 1 6 . HXT H 11.767 -9.136 -6.050 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HXT . . . . . . . . . rr_6pqf 1
. 16 . 3056 . 1 1 6 . N N 12.865 -5.614 -4.892 . . . 1.0 . . . . . . . . . . . . A . 6 IAS N . . . . . . . . . rr_6pqf 1
. 16 . 3057 . 1 1 6 . O O 12.853 -7.641 -7.603 . . . 1.0 . . . . . . . . . . . . A . 6 IAS O . . . . . . . . . rr_6pqf 1
. 16 . 3058 . 1 1 6 . OD1 O 13.858 -9.192 -3.387 . . . 1.0 . . . . . . . . . . . . A . 6 IAS OD1 . . . . . . . . . rr_6pqf 1
. 16 . 3059 . 1 1 6 . OXT O 12.056 -8.318 -5.618 . . . 1.0 . . . . . . . . . . . . A . 6 IAS OXT . . . . . . . . . rr_6pqf 1
. 16 . 3060 . 1 1 7 GLY C C 11.461 -7.455 -1.352 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . rr_6pqf 1
. 16 . 3061 . 1 1 7 GLY CA C 12.966 -7.628 -1.310 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . rr_6pqf 1
. 16 . 3062 . 1 1 7 GLY H H 13.766 -6.173 -2.624 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . rr_6pqf 1
. 16 . 3063 . 1 1 7 GLY HA2 H 13.195 -8.677 -1.195 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . rr_6pqf 1
. 16 . 3064 . 1 1 7 GLY HA3 H 13.355 -7.090 -0.457 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . rr_6pqf 1
. 16 . 3065 . 1 1 7 GLY N N 13.616 -7.135 -2.510 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . rr_6pqf 1
. 16 . 3066 . 1 1 7 GLY O O 10.823 -7.250 -0.319 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . rr_6pqf 1
. 16 . 3067 . 1 1 8 CYS C C 8.741 -8.724 -2.568 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . rr_6pqf 1
. 16 . 3068 . 1 1 8 CYS CA C 9.452 -7.383 -2.724 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . rr_6pqf 1
. 16 . 3069 . 1 1 8 CYS CB C 9.144 -6.787 -4.099 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . rr_6pqf 1
. 16 . 3070 . 1 1 8 CYS H H 11.453 -7.699 -3.337 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . rr_6pqf 1
. 16 . 3071 . 1 1 8 CYS HA H 9.094 -6.709 -1.961 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . rr_6pqf 1
. 16 . 3072 . 1 1 8 CYS HB2 H 9.942 -6.115 -4.379 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . rr_6pqf 1
. 16 . 3073 . 1 1 8 CYS HB3 H 9.082 -7.585 -4.824 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . rr_6pqf 1
. 16 . 3074 . 1 1 8 CYS N N 10.891 -7.535 -2.550 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . rr_6pqf 1
. 16 . 3075 . 1 1 8 CYS O O 8.913 -9.628 -3.385 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . rr_6pqf 1
. 16 . 3076 . 1 1 8 CYS SG S 7.583 -5.850 -4.171 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . rr_6pqf 1
. 16 . 3077 . 1 1 9 ALA C C 6.359 -10.475 -2.456 . . . 1.0 . . . . . . . . . . . . A . 9 ALA C . . . . . . . . . rr_6pqf 1
. 16 . 3078 . 1 1 9 ALA CA C 7.203 -10.074 -1.251 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CA . . . . . . . . . rr_6pqf 1
. 16 . 3079 . 1 1 9 ALA CB C 6.325 -9.909 -0.020 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CB . . . . . . . . . rr_6pqf 1
. 16 . 3080 . 1 1 9 ALA H H 7.846 -8.089 -0.897 . . . 1.0 . . . . . . . . . . . . A . 9 ALA H . . . . . . . . . rr_6pqf 1
. 16 . 3081 . 1 1 9 ALA HA H 7.920 -10.857 -1.049 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HA . . . . . . . . . rr_6pqf 1
. 16 . 3082 . 1 1 9 ALA HB1 H 5.555 -9.178 -0.223 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB1 . . . . . . . . . rr_6pqf 1
. 16 . 3083 . 1 1 9 ALA HB2 H 5.867 -10.856 0.225 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB2 . . . . . . . . . rr_6pqf 1
. 16 . 3084 . 1 1 9 ALA HB3 H 6.928 -9.575 0.811 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB3 . . . . . . . . . rr_6pqf 1
. 16 . 3085 . 1 1 9 ALA N N 7.942 -8.845 -1.513 . . . 1.0 . . . . . . . . . . . . A . 9 ALA N . . . . . . . . . rr_6pqf 1
. 16 . 3086 . 1 1 9 ALA O O 6.060 -9.650 -3.319 . . . 1.0 . . . . . . . . . . . . A . 9 ALA O . . . . . . . . . rr_6pqf 1
. 16 . 3087 . 1 1 10 LYS C C 3.755 -12.584 -3.135 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_6pqf 1
. 16 . 3088 . 1 1 10 LYS CA C 5.168 -12.258 -3.607 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_6pqf 1
. 16 . 3089 . 1 1 10 LYS CB C 5.817 -13.507 -4.209 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_6pqf 1
. 16 . 3090 . 1 1 10 LYS CD C 4.862 -15.664 -3.347 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_6pqf 1
. 16 . 3091 . 1 1 10 LYS CE C 5.231 -16.776 -4.317 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_6pqf 1
. 16 . 3092 . 1 1 10 LYS CG C 5.981 -14.645 -3.216 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_6pqf 1
. 16 . 3093 . 1 1 10 LYS H H 6.249 -12.357 -1.790 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_6pqf 1
. 16 . 3094 . 1 1 10 LYS HA H 5.114 -11.491 -4.365 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_6pqf 1
. 16 . 3095 . 1 1 10 LYS HB2 H 5.206 -13.856 -5.028 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_6pqf 1
. 16 . 3096 . 1 1 10 LYS HB3 H 6.794 -13.243 -4.587 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_6pqf 1
. 16 . 3097 . 1 1 10 LYS HD2 H 4.667 -16.098 -2.377 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_6pqf 1
. 16 . 3098 . 1 1 10 LYS HD3 H 3.972 -15.166 -3.706 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_6pqf 1
. 16 . 3099 . 1 1 10 LYS HE2 H 6.285 -16.984 -4.221 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_6pqf 1
. 16 . 3100 . 1 1 10 LYS HE3 H 4.665 -17.660 -4.062 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_6pqf 1
. 16 . 3101 . 1 1 10 LYS HG2 H 6.925 -15.137 -3.399 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_6pqf 1
. 16 . 3102 . 1 1 10 LYS HG3 H 5.972 -14.240 -2.214 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_6pqf 1
. 16 . 3103 . 1 1 10 LYS HZ1 H 4.150 -15.722 -5.760 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . rr_6pqf 1
. 16 . 3104 . 1 1 10 LYS HZ2 H 4.674 -17.246 -6.274 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . rr_6pqf 1
. 16 . 3105 . 1 1 10 LYS HZ3 H 5.775 -15.966 -6.164 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_6pqf 1
. 16 . 3106 . 1 1 10 LYS N N 5.978 -11.747 -2.509 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_6pqf 1
. 16 . 3107 . 1 1 10 LYS NZ N 4.937 -16.402 -5.728 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_6pqf 1
. 16 . 3108 . 1 1 10 LYS O O 3.516 -12.841 -1.955 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_6pqf 1
. 16 . 3109 . 1 1 11 . C C 0.747 -11.727 -2.927 . . . 1.0 . . . . . . . . . . . . A . 11 DBB C . . . . . . . . . rr_6pqf 1
. 16 . 3110 . 1 1 11 . CA C 1.441 -12.872 -3.686 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CA . . . . . . . . . rr_6pqf 1
. 16 . 3111 . 1 1 11 . CB C 0.665 -13.263 -4.960 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CB . . . . . . . . . rr_6pqf 1
. 16 . 3112 . 1 1 11 . CG C -0.708 -13.791 -4.580 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CG . . . . . . . . . rr_6pqf 1
. 16 . 3113 . 1 1 11 . H H 3.041 -12.366 -4.994 . . . 1.0 . . . . . . . . . . . . A . 11 DBB H . . . . . . . . . rr_6pqf 1
. 16 . 3114 . 1 1 11 . HA H 1.460 -13.733 -3.048 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HA . . . . . . . . . rr_6pqf 1
. 16 . 3115 . 1 1 11 . HB2 H 1.209 -14.079 -5.386 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HB2 . . . . . . . . . rr_6pqf 1
. 16 . 3116 . 1 1 11 . HG1 H -1.229 -14.086 -5.477 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG1 . . . . . . . . . rr_6pqf 1
. 16 . 3117 . 1 1 11 . HG2 H -1.266 -13.016 -4.075 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG2 . . . . . . . . . rr_6pqf 1
. 16 . 3118 . 1 1 11 . HG3 H -0.598 -14.643 -3.929 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG3 . . . . . . . . . rr_6pqf 1
. 16 . 3119 . 1 1 11 . N N 2.814 -12.575 -4.060 . . . 1.0 . . . . . . . . . . . . A . 11 DBB N . . . . . . . . . rr_6pqf 1
. 16 . 3120 . 1 1 11 . O O 1.051 -10.568 -3.209 . . . 1.0 . . . . . . . . . . . . A . 11 DBB O . . . . . . . . . rr_6pqf 1
. 16 . 3121 . 1 1 12 CYS C C -0.082 -10.407 -0.193 . . . 1.0 . . . . . . . . . . . . A . 12 CYS C . . . . . . . . . rr_6pqf 1
. 16 . 3122 . 1 1 12 CYS CA C -0.927 -11.001 -1.317 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CA . . . . . . . . . rr_6pqf 1
. 16 . 3123 . 1 1 12 CYS CB C -2.224 -11.577 -0.745 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CB . . . . . . . . . rr_6pqf 1
. 16 . 3124 . 1 1 12 CYS H H -0.386 -12.976 -1.852 . . . 1.0 . . . . . . . . . . . . A . 12 CYS H . . . . . . . . . rr_6pqf 1
. 16 . 3125 . 1 1 12 CYS HA H -1.171 -10.218 -2.019 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HA . . . . . . . . . rr_6pqf 1
. 16 . 3126 . 1 1 12 CYS HB2 H -1.994 -12.141 0.148 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB2 . . . . . . . . . rr_6pqf 1
. 16 . 3127 . 1 1 12 CYS HB3 H -2.888 -10.765 -0.490 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB3 . . . . . . . . . rr_6pqf 1
. 16 . 3128 . 1 1 12 CYS N N -0.188 -12.032 -2.034 . . . 1.0 . . . . . . . . . . . . A . 12 CYS N . . . . . . . . . rr_6pqf 1
. 16 . 3129 . 1 1 12 CYS O O -0.468 -10.446 0.974 . . . 1.0 . . . . . . . . . . . . A . 12 CYS O . . . . . . . . . rr_6pqf 1
. 16 . 3130 . 1 1 12 CYS SG S -3.112 -12.685 -1.886 . . . 1.0 . . . . . . . . . . . . A . 12 CYS SG . . . . . . . . . rr_6pqf 1
. 16 . 3131 . 1 1 13 ALA C C 2.415 -7.866 -0.027 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . rr_6pqf 1
. 16 . 3132 . 1 1 13 ALA CA C 1.972 -9.255 0.420 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . rr_6pqf 1
. 16 . 3133 . 1 1 13 ALA CB C 3.181 -10.150 0.647 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . rr_6pqf 1
. 16 . 3134 . 1 1 13 ALA H H 1.326 -9.858 -1.503 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . rr_6pqf 1
. 16 . 3135 . 1 1 13 ALA HA H 1.438 -9.168 1.356 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . rr_6pqf 1
. 16 . 3136 . 1 1 13 ALA HB1 H 2.860 -11.084 1.085 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . rr_6pqf 1
. 16 . 3137 . 1 1 13 ALA HB2 H 3.669 -10.342 -0.297 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . rr_6pqf 1
. 16 . 3138 . 1 1 13 ALA HB3 H 3.872 -9.658 1.316 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . rr_6pqf 1
. 16 . 3139 . 1 1 13 ALA N N 1.073 -9.859 -0.556 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . rr_6pqf 1
. 16 . 3140 . 1 1 13 ALA O O 2.580 -6.979 0.810 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . rr_6pqf 1
. 16 . 3141 . 1 1 14 ALA C C 2.733 -6.531 -3.481 . . . 1.0 . . . . . . . . . . . . A . 14 ALA C . . . . . . . . . rr_6pqf 1
. 16 . 3142 . 1 1 14 ALA CA C 3.016 -6.444 -1.915 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CA . . . . . . . . . rr_6pqf 1
. 16 . 3143 . 1 1 14 ALA CB C 4.454 -6.139 -1.707 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CB . . . . . . . . . rr_6pqf 1
. 16 . 3144 . 1 1 14 ALA H H 2.443 -8.469 -1.913 . . . 1.0 . . . . . . . . . . . . A . 14 ALA H . . . . . . . . . rr_6pqf 1
. 16 . 3145 . 1 1 14 ALA HA H 2.373 -5.658 -1.567 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HA . . . . . . . . . rr_6pqf 1
. 16 . 3146 . 1 1 14 ALA HB1 H 4.937 -6.964 -1.203 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB1 . . . . . . . . . rr_6pqf 1
. 16 . 3147 . 1 1 14 ALA HB2 H 4.894 -6.015 -2.686 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB2 . . . . . . . . . rr_6pqf 1
. 16 . 3148 . 1 1 14 ALA N N 2.599 -7.702 -1.323 . . . 1.0 . . . . . . . . . . . . A . 14 ALA N . . . . . . . . . rr_6pqf 1
. 16 . 3149 . 1 1 14 ALA O O 2.102 -5.647 -4.058 . . . 1.0 . . . . . . . . . . . . A . 14 ALA O . . . . . . . . . rr_6pqf 1
. 16 . 3150 . 1 1 15 SER C C 1.592 -7.932 -5.906 . . . 1.0 . . . . . . . . . . . . A . 15 SER C . . . . . . . . . rr_6pqf 1
. 16 . 3151 . 1 1 15 SER CA C 3.067 -7.778 -5.545 . . . 1.0 . . . . . . . . . . . . A . 15 SER CA . . . . . . . . . rr_6pqf 1
. 16 . 3152 . 1 1 15 SER CB C 3.850 -9.005 -6.015 . . . 1.0 . . . . . . . . . . . . A . 15 SER CB . . . . . . . . . rr_6pqf 1
. 16 . 3153 . 1 1 15 SER H H 3.727 -8.263 -3.592 . . . 1.0 . . . . . . . . . . . . A . 15 SER H . . . . . . . . . rr_6pqf 1
. 16 . 3154 . 1 1 15 SER HA H 3.457 -6.901 -6.040 . . . 1.0 . . . . . . . . . . . . A . 15 SER HA . . . . . . . . . rr_6pqf 1
. 16 . 3155 . 1 1 15 SER HB2 H 3.642 -9.183 -7.059 . . . 1.0 . . . . . . . . . . . . A . 15 SER HB2 . . . . . . . . . rr_6pqf 1
. 16 . 3156 . 1 1 15 SER HB3 H 4.907 -8.826 -5.884 . . . 1.0 . . . . . . . . . . . . A . 15 SER HB3 . . . . . . . . . rr_6pqf 1
. 16 . 3157 . 1 1 15 SER HG H 3.743 -10.042 -4.357 . . . 1.0 . . . . . . . . . . . . A . 15 SER HG . . . . . . . . . rr_6pqf 1
. 16 . 3158 . 1 1 15 SER N N 3.233 -7.591 -4.108 . . . 1.0 . . . . . . . . . . . . A . 15 SER N . . . . . . . . . rr_6pqf 1
. 16 . 3159 . 1 1 15 SER O O 0.998 -7.051 -6.528 . . . 1.0 . . . . . . . . . . . . A . 15 SER O . . . . . . . . . rr_6pqf 1
. 16 . 3160 . 1 1 15 SER OG O 3.486 -10.157 -5.274 . . . 1.0 . . . . . . . . . . . . A . 15 SER OG . . . . . . . . . rr_6pqf 1
. 16 . 3161 . 1 1 16 CYS C C -1.298 -8.656 -4.761 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . rr_6pqf 1
. 16 . 3162 . 1 1 16 CYS CA C -0.397 -9.330 -5.792 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . rr_6pqf 1
. 16 . 3163 . 1 1 16 CYS CB C -0.653 -10.838 -5.802 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . rr_6pqf 1
. 16 . 3164 . 1 1 16 CYS H H 1.534 -9.722 -5.018 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . rr_6pqf 1
. 16 . 3165 . 1 1 16 CYS HA H -0.624 -8.928 -6.767 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . rr_6pqf 1
. 16 . 3166 . 1 1 16 CYS HB2 H -0.768 -11.183 -4.785 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . rr_6pqf 1
. 16 . 3167 . 1 1 16 CYS HB3 H -1.563 -11.037 -6.348 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . rr_6pqf 1
. 16 . 3168 . 1 1 16 CYS N N 1.008 -9.057 -5.511 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . rr_6pqf 1
. 16 . 3169 . 1 1 16 CYS O O -0.896 -8.435 -3.620 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . rr_6pqf 1
. 16 . 3170 . 1 1 16 CYS SG S 0.680 -11.814 -6.570 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . rr_6pqf 1
. 16 . 3171 . 1 1 17 ALA C C -4.644 -8.619 -3.966 . . . 1.0 . . . . . . . . . . . . A . 17 ALA C . . . . . . . . . rr_6pqf 1
. 16 . 3172 . 1 1 17 ALA CA C -3.480 -7.688 -4.285 . . . 1.0 . . . . . . . . . . . . A . 17 ALA CA . . . . . . . . . rr_6pqf 1
. 16 . 3173 . 1 1 17 ALA CB C -3.989 -6.397 -4.908 . . . 1.0 . . . . . . . . . . . . A . 17 ALA CB . . . . . . . . . rr_6pqf 1
. 16 . 3174 . 1 1 17 ALA H H -2.783 -8.536 -6.095 . . . 1.0 . . . . . . . . . . . . A . 17 ALA H . . . . . . . . . rr_6pqf 1
. 16 . 3175 . 1 1 17 ALA HA H -2.969 -7.439 -3.366 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HA . . . . . . . . . rr_6pqf 1
. 16 . 3176 . 1 1 17 ALA HB1 H -3.208 -5.957 -5.511 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB1 . . . . . . . . . rr_6pqf 1
. 16 . 3177 . 1 1 17 ALA HB2 H -4.846 -6.611 -5.529 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB2 . . . . . . . . . rr_6pqf 1
. 16 . 3178 . 1 1 17 ALA HB3 H -4.272 -5.708 -4.127 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB3 . . . . . . . . . rr_6pqf 1
. 16 . 3179 . 1 1 17 ALA N N -2.520 -8.334 -5.173 . . . 1.0 . . . . . . . . . . . . A . 17 ALA N . . . . . . . . . rr_6pqf 1
. 16 . 3180 . 1 1 17 ALA O O -5.686 -8.540 -4.617 . . . 1.0 . . . . . . . . . . . . A . 17 ALA O . . . . . . . . . rr_6pqf 1
. 16 . 3181 . 1 1 18 ALA C C -6.458 -9.660 -1.572 . . . 1.0 . . . . . . . . . . . . A . 18 ALA C . . . . . . . . . rr_6pqf 1
. 16 . 3182 . 1 1 18 ALA CA C -5.459 -10.428 -2.547 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CA . . . . . . . . . rr_6pqf 1
. 16 . 3183 . 1 1 18 ALA CB C -4.897 -11.597 -1.827 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CB . . . . . . . . . rr_6pqf 1
. 16 . 3184 . 1 1 18 ALA H H -3.588 -9.465 -2.520 . . . 1.0 . . . . . . . . . . . . A . 18 ALA H . . . . . . . . . rr_6pqf 1
. 16 . 3185 . 1 1 18 ALA HA H -6.065 -10.712 -3.386 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HA . . . . . . . . . rr_6pqf 1
. 16 . 3186 . 1 1 18 ALA HB1 H -4.888 -11.408 -0.763 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB1 . . . . . . . . . rr_6pqf 1
. 16 . 3187 . 1 1 18 ALA HB2 H -5.546 -12.435 -2.033 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB2 . . . . . . . . . rr_6pqf 1
. 16 . 3188 . 1 1 18 ALA N N -4.453 -9.476 -2.981 . . . 1.0 . . . . . . . . . . . . A . 18 ALA N . . . . . . . . . rr_6pqf 1
. 16 . 3189 . 1 1 18 ALA O O -6.110 -9.339 -0.435 . . . 1.0 . . . . . . . . . . . . A . 18 ALA O . . . . . . . . . rr_6pqf 1
. 16 . 3190 . 1 1 19 SER C C -9.809 -9.575 -0.894 . . . 1.0 . . . . . . . . . . . . A . 19 SER C . . . . . . . . . rr_6pqf 1
. 16 . 3191 . 1 1 19 SER CA C -8.657 -8.655 -1.287 . . . 1.0 . . . . . . . . . . . . A . 19 SER CA . . . . . . . . . rr_6pqf 1
. 16 . 3192 . 1 1 19 SER CB C -9.191 -7.462 -2.082 . . . 1.0 . . . . . . . . . . . . A . 19 SER CB . . . . . . . . . rr_6pqf 1
. 16 . 3193 . 1 1 19 SER H H -7.878 -9.659 -2.980 . . . 1.0 . . . . . . . . . . . . A . 19 SER H . . . . . . . . . rr_6pqf 1
. 16 . 3194 . 1 1 19 SER HA H -8.178 -8.293 -0.389 . . . 1.0 . . . . . . . . . . . . A . 19 SER HA . . . . . . . . . rr_6pqf 1
. 16 . 3195 . 1 1 19 SER HB2 H -9.579 -6.722 -1.399 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB2 . . . . . . . . . rr_6pqf 1
. 16 . 3196 . 1 1 19 SER HB3 H -8.387 -7.030 -2.661 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB3 . . . . . . . . . rr_6pqf 1
. 16 . 3197 . 1 1 19 SER HG H -10.007 -8.706 -3.356 . . . 1.0 . . . . . . . . . . . . A . 19 SER HG . . . . . . . . . rr_6pqf 1
. 16 . 3198 . 1 1 19 SER N N -7.659 -9.377 -2.067 . . . 1.0 . . . . . . . . . . . . A . 19 SER N . . . . . . . . . rr_6pqf 1
. 16 . 3199 . 1 1 19 SER O O -10.776 -9.142 -0.268 . . . 1.0 . . . . . . . . . . . . A . 19 SER O . . . . . . . . . rr_6pqf 1
. 16 . 3200 . 1 1 19 SER OG O -10.227 -7.859 -2.963 . . . 1.0 . . . . . . . . . . . . A . 19 SER OG . . . . . . . . . rr_6pqf 1
. 17 . 3201 . 1 1 1 ALA C C 2.362 -0.181 -0.911 . . . 1.0 . . . . . . . . . . . . A . 1 ALA C . . . . . . . . . rr_6pqf 1
. 17 . 3202 . 1 1 1 ALA CA C 0.993 0.451 -1.137 . . . 1.0 . . . . . . . . . . . . A . 1 ALA CA . . . . . . . . . rr_6pqf 1
. 17 . 3203 . 1 1 1 ALA CB C 0.927 1.094 -2.514 . . . 1.0 . . . . . . . . . . . . A . 1 ALA CB . . . . . . . . . rr_6pqf 1
. 17 . 3204 . 1 1 1 ALA H1 H 0.792 2.389 -0.309 . . . 1.0 . . . . . . . . . . . . A . 1 ALA H1 . . . . . . . . . rr_6pqf 1
. 17 . 3205 . 1 1 1 ALA HA H 0.239 -0.321 -1.091 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HA . . . . . . . . . rr_6pqf 1
. 17 . 3206 . 1 1 1 ALA HB1 H 0.057 1.733 -2.571 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB1 . . . . . . . . . rr_6pqf 1
. 17 . 3207 . 1 1 1 ALA HB2 H 1.817 1.682 -2.680 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB2 . . . . . . . . . rr_6pqf 1
. 17 . 3208 . 1 1 1 ALA HB3 H 0.858 0.324 -3.268 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB3 . . . . . . . . . rr_6pqf 1
. 17 . 3209 . 1 1 1 ALA N N 0.693 1.436 -0.104 . . . 1.0 . . . . . . . . . . . . A . 1 ALA N . . . . . . . . . rr_6pqf 1
. 17 . 3210 . 1 1 1 ALA O O 3.250 0.431 -0.316 . . . 1.0 . . . . . . . . . . . . A . 1 ALA O . . . . . . . . . rr_6pqf 1
. 17 . 3211 . 1 1 2 CYS C C 4.914 -1.406 -1.974 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_6pqf 1
. 17 . 3212 . 1 1 2 CYS CA C 3.788 -2.126 -1.239 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_6pqf 1
. 17 . 3213 . 1 1 2 CYS CB C 3.652 -3.556 -1.767 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_6pqf 1
. 17 . 3214 . 1 1 2 CYS H H 1.782 -1.846 -1.855 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_6pqf 1
. 17 . 3215 . 1 1 2 CYS HA H 4.026 -2.162 -0.187 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_6pqf 1
. 17 . 3216 . 1 1 2 CYS HB2 H 2.708 -3.965 -1.438 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_6pqf 1
. 17 . 3217 . 1 1 2 CYS HB3 H 3.673 -3.536 -2.847 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_6pqf 1
. 17 . 3218 . 1 1 2 CYS N N 2.527 -1.410 -1.389 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_6pqf 1
. 17 . 3219 . 1 1 2 CYS O O 4.676 -0.684 -2.942 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_6pqf 1
. 17 . 3220 . 1 1 2 CYS SG S 4.968 -4.684 -1.207 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_6pqf 1
. 17 . 3221 . 1 1 3 GLY C C 7.636 -1.589 -3.471 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6pqf 1
. 17 . 3222 . 1 1 3 GLY CA C 7.287 -0.971 -2.132 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6pqf 1
. 17 . 3223 . 1 1 3 GLY H H 6.273 -2.193 -0.732 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6pqf 1
. 17 . 3224 . 1 1 3 GLY HA2 H 7.068 0.077 -2.277 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6pqf 1
. 17 . 3225 . 1 1 3 GLY HA3 H 8.139 -1.062 -1.474 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6pqf 1
. 17 . 3226 . 1 1 3 GLY N N 6.143 -1.607 -1.507 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6pqf 1
. 17 . 3227 . 1 1 3 GLY O O 8.168 -0.926 -4.362 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6pqf 1
. 17 . 3228 . 1 1 4 . C C 9.127 -3.397 -5.294 . . . 1.0 . . . . . . . . . . . . A . 4 DBB C . . . . . . . . . rr_6pqf 1
. 17 . 3229 . 1 1 4 . CA C 7.651 -3.528 -4.878 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CA . . . . . . . . . rr_6pqf 1
. 17 . 3230 . 1 1 4 . CB C 7.220 -5.005 -4.767 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CB . . . . . . . . . rr_6pqf 1
. 17 . 3231 . 1 1 4 . CG C 7.327 -5.671 -6.129 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CG . . . . . . . . . rr_6pqf 1
. 17 . 3232 . 1 1 4 . H H 6.913 -3.364 -2.888 . . . 1.0 . . . . . . . . . . . . A . 4 DBB H . . . . . . . . . rr_6pqf 1
. 17 . 3233 . 1 1 4 . HA H 7.047 -3.076 -5.640 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HA . . . . . . . . . rr_6pqf 1
. 17 . 3234 . 1 1 4 . HB2 H 6.183 -4.980 -4.508 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HB2 . . . . . . . . . rr_6pqf 1
. 17 . 3235 . 1 1 4 . HG1 H 7.319 -6.742 -5.995 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG1 . . . . . . . . . rr_6pqf 1
. 17 . 3236 . 1 1 4 . HG2 H 8.249 -5.373 -6.606 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG2 . . . . . . . . . rr_6pqf 1
. 17 . 3237 . 1 1 4 . HG3 H 6.489 -5.377 -6.740 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG3 . . . . . . . . . rr_6pqf 1
. 17 . 3238 . 1 1 4 . N N 7.339 -2.865 -3.622 . . . 1.0 . . . . . . . . . . . . A . 4 DBB N . . . . . . . . . rr_6pqf 1
. 17 . 3239 . 1 1 4 . O O 9.383 -3.127 -6.467 . . . 1.0 . . . . . . . . . . . . A . 4 DBB O . . . . . . . . . rr_6pqf 1
. 17 . 3240 . 1 1 5 GLY C C 11.892 -4.209 -5.874 . . . 1.0 . . . . . . . . . . . . A . 5 GLY C . . . . . . . . . rr_6pqf 1
. 17 . 3241 . 1 1 5 GLY CA C 11.468 -3.362 -4.690 . . . 1.0 . . . . . . . . . . . . A . 5 GLY CA . . . . . . . . . rr_6pqf 1
. 17 . 3242 . 1 1 5 GLY H H 9.801 -3.747 -3.442 . . . 1.0 . . . . . . . . . . . . A . 5 GLY H . . . . . . . . . rr_6pqf 1
. 17 . 3243 . 1 1 5 GLY HA2 H 11.650 -2.323 -4.920 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA2 . . . . . . . . . rr_6pqf 1
. 17 . 3244 . 1 1 5 GLY HA3 H 12.063 -3.640 -3.833 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA3 . . . . . . . . . rr_6pqf 1
. 17 . 3245 . 1 1 5 GLY N N 10.064 -3.531 -4.361 . . . 1.0 . . . . . . . . . . . . A . 5 GLY N . . . . . . . . . rr_6pqf 1
. 17 . 3246 . 1 1 5 GLY O O 12.114 -3.749 -6.991 . . . 1.0 . . . . . . . . . . . . A . 5 GLY O . . . . . . . . . rr_6pqf 1
. 17 . 3247 . 1 1 6 . C C 11.110 -7.195 -7.244 . . . 1.0 . . . . . . . . . . . . A . 6 IAS C . . . . . . . . . rr_6pqf 1
. 17 . 3248 . 1 1 6 . CA C 12.323 -6.434 -6.743 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CA . . . . . . . . . rr_6pqf 1
. 17 . 3249 . 1 1 6 . CB C 13.479 -7.402 -6.429 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CB . . . . . . . . . rr_6pqf 1
. 17 . 3250 . 1 1 6 . CG C 13.275 -8.191 -5.143 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CG . . . . . . . . . rr_6pqf 1
. 17 . 3251 . 1 1 6 . H H 11.844 -5.910 -4.747 . . . 1.0 . . . . . . . . . . . . A . 6 IAS H . . . . . . . . . rr_6pqf 1
. 17 . 3252 . 1 1 6 . HA H 12.608 -5.825 -7.593 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HA . . . . . . . . . rr_6pqf 1
. 17 . 3253 . 1 1 6 . HB2 H 14.375 -6.817 -6.282 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HB2 . . . . . . . . . rr_6pqf 1
. 17 . 3254 . 1 1 6 . HB3 H 13.617 -8.065 -7.269 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HB3 . . . . . . . . . rr_6pqf 1
. 17 . 3255 . 1 1 6 . HXT H 10.353 -6.675 -8.943 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HXT . . . . . . . . . rr_6pqf 1
. 17 . 3256 . 1 1 6 . N N 12.022 -5.526 -5.649 . . . 1.0 . . . . . . . . . . . . A . 6 IAS N . . . . . . . . . rr_6pqf 1
. 17 . 3257 . 1 1 6 . O O 10.928 -8.375 -7.081 . . . 1.0 . . . . . . . . . . . . A . 6 IAS O . . . . . . . . . rr_6pqf 1
. 17 . 3258 . 1 1 6 . OD1 O 13.540 -7.710 -4.042 . . . 1.0 . . . . . . . . . . . . A . 6 IAS OD1 . . . . . . . . . rr_6pqf 1
. 17 . 3259 . 1 1 6 . OXT O 10.320 -6.424 -8.008 . . . 1.0 . . . . . . . . . . . . A . 6 IAS OXT . . . . . . . . . rr_6pqf 1
. 17 . 3260 . 1 1 7 GLY C C 11.456 -9.770 -3.261 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . rr_6pqf 1
. 17 . 3261 . 1 1 7 GLY CA C 12.572 -10.281 -4.150 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . rr_6pqf 1
. 17 . 3262 . 1 1 7 GLY H H 12.610 -9.755 -6.201 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . rr_6pqf 1
. 17 . 3263 . 1 1 7 GLY HA2 H 12.316 -11.270 -4.499 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . rr_6pqf 1
. 17 . 3264 . 1 1 7 GLY HA3 H 13.481 -10.339 -3.570 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . rr_6pqf 1
. 17 . 3265 . 1 1 7 GLY N N 12.803 -9.424 -5.299 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . rr_6pqf 1
. 17 . 3266 . 1 1 7 GLY O O 11.335 -10.180 -2.106 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . rr_6pqf 1
. 17 . 3267 . 1 1 8 CYS C C 8.585 -9.394 -2.554 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . rr_6pqf 1
. 17 . 3268 . 1 1 8 CYS CA C 9.528 -8.300 -3.045 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . rr_6pqf 1
. 17 . 3269 . 1 1 8 CYS CB C 8.759 -7.298 -3.909 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . rr_6pqf 1
. 17 . 3270 . 1 1 8 CYS H H 10.786 -8.582 -4.724 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . rr_6pqf 1
. 17 . 3271 . 1 1 8 CYS HA H 9.937 -7.784 -2.189 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . rr_6pqf 1
. 17 . 3272 . 1 1 8 CYS HB2 H 9.447 -6.825 -4.595 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . rr_6pqf 1
. 17 . 3273 . 1 1 8 CYS HB3 H 8.004 -7.826 -4.472 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . rr_6pqf 1
. 17 . 3274 . 1 1 8 CYS N N 10.639 -8.870 -3.797 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . rr_6pqf 1
. 17 . 3275 . 1 1 8 CYS O O 8.634 -10.529 -3.027 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . rr_6pqf 1
. 17 . 3276 . 1 1 8 CYS SG S 7.929 -5.982 -2.962 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . rr_6pqf 1
. 17 . 3277 . 1 1 9 ALA C C 5.984 -10.690 -2.155 . . . 1.0 . . . . . . . . . . . . A . 9 ALA C . . . . . . . . . rr_6pqf 1
. 17 . 3278 . 1 1 9 ALA CA C 6.769 -9.994 -1.048 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CA . . . . . . . . . rr_6pqf 1
. 17 . 3279 . 1 1 9 ALA CB C 5.822 -9.291 -0.088 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CB . . . . . . . . . rr_6pqf 1
. 17 . 3280 . 1 1 9 ALA H H 7.735 -8.124 -1.265 . . . 1.0 . . . . . . . . . . . . A . 9 ALA H . . . . . . . . . rr_6pqf 1
. 17 . 3281 . 1 1 9 ALA HA H 7.322 -10.738 -0.491 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HA . . . . . . . . . rr_6pqf 1
. 17 . 3282 . 1 1 9 ALA HB1 H 4.910 -9.034 -0.607 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB1 . . . . . . . . . rr_6pqf 1
. 17 . 3283 . 1 1 9 ALA HB2 H 5.594 -9.949 0.738 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB2 . . . . . . . . . rr_6pqf 1
. 17 . 3284 . 1 1 9 ALA HB3 H 6.290 -8.393 0.286 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB3 . . . . . . . . . rr_6pqf 1
. 17 . 3285 . 1 1 9 ALA N N 7.726 -9.044 -1.602 . . . 1.0 . . . . . . . . . . . . A . 9 ALA N . . . . . . . . . rr_6pqf 1
. 17 . 3286 . 1 1 9 ALA O O 5.822 -10.150 -3.250 . . . 1.0 . . . . . . . . . . . . A . 9 ALA O . . . . . . . . . rr_6pqf 1
. 17 . 3287 . 1 1 10 LYS C C 3.274 -12.798 -2.389 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_6pqf 1
. 17 . 3288 . 1 1 10 LYS CA C 4.728 -12.662 -2.833 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_6pqf 1
. 17 . 3289 . 1 1 10 LYS CB C 5.347 -14.049 -3.020 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_6pqf 1
. 17 . 3290 . 1 1 10 LYS CD C 6.767 -15.494 -4.504 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_6pqf 1
. 17 . 3291 . 1 1 10 LYS CE C 8.205 -15.641 -4.976 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_6pqf 1
. 17 . 3292 . 1 1 10 LYS CG C 6.477 -14.079 -4.034 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_6pqf 1
. 17 . 3293 . 1 1 10 LYS H H 5.659 -12.269 -0.973 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_6pqf 1
. 17 . 3294 . 1 1 10 LYS HA H 4.756 -12.134 -3.774 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_6pqf 1
. 17 . 3295 . 1 1 10 LYS HB2 H 5.734 -14.388 -2.070 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_6pqf 1
. 17 . 3296 . 1 1 10 LYS HB3 H 4.577 -14.732 -3.349 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_6pqf 1
. 17 . 3297 . 1 1 10 LYS HD2 H 6.597 -16.178 -3.686 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_6pqf 1
. 17 . 3298 . 1 1 10 LYS HD3 H 6.102 -15.736 -5.322 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_6pqf 1
. 17 . 3299 . 1 1 10 LYS HE2 H 8.291 -16.552 -5.548 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_6pqf 1
. 17 . 3300 . 1 1 10 LYS HE3 H 8.452 -14.798 -5.604 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_6pqf 1
. 17 . 3301 . 1 1 10 LYS HG2 H 6.199 -13.478 -4.887 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_6pqf 1
. 17 . 3302 . 1 1 10 LYS HG3 H 7.368 -13.671 -3.579 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_6pqf 1
. 17 . 3303 . 1 1 10 LYS HZ1 H 8.646 -15.614 -2.935 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . rr_6pqf 1
. 17 . 3304 . 1 1 10 LYS HZ2 H 9.840 -14.907 -3.903 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . rr_6pqf 1
. 17 . 3305 . 1 1 10 LYS HZ3 H 9.684 -16.591 -3.847 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_6pqf 1
. 17 . 3306 . 1 1 10 LYS N N 5.497 -11.892 -1.863 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_6pqf 1
. 17 . 3307 . 1 1 10 LYS NZ N 9.161 -15.692 -3.836 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_6pqf 1
. 17 . 3308 . 1 1 10 LYS O O 2.903 -12.411 -1.281 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_6pqf 1
. 17 . 3309 . 1 1 11 . C C 0.374 -12.207 -2.445 . . . 1.0 . . . . . . . . . . . . A . 11 DBB C . . . . . . . . . rr_6pqf 1
. 17 . 3310 . 1 1 11 . CA C 1.047 -13.511 -2.908 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CA . . . . . . . . . rr_6pqf 1
. 17 . 3311 . 1 1 11 . CB C 0.315 -14.132 -4.115 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CB . . . . . . . . . rr_6pqf 1
. 17 . 3312 . 1 1 11 . CG C -1.099 -14.517 -3.711 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CG . . . . . . . . . rr_6pqf 1
. 17 . 3313 . 1 1 11 . H H 2.781 -13.649 -4.134 . . . 1.0 . . . . . . . . . . . . A . 11 DBB H . . . . . . . . . rr_6pqf 1
. 17 . 3314 . 1 1 11 . HA H 0.994 -14.219 -2.104 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HA . . . . . . . . . rr_6pqf 1
. 17 . 3315 . 1 1 11 . HB2 H 0.838 -15.039 -4.330 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HB2 . . . . . . . . . rr_6pqf 1
. 17 . 3316 . 1 1 11 . HG1 H -1.671 -13.617 -3.544 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG1 . . . . . . . . . rr_6pqf 1
. 17 . 3317 . 1 1 11 . HG2 H -1.069 -15.100 -2.803 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG2 . . . . . . . . . rr_6pqf 1
. 17 . 3318 . 1 1 11 . HG3 H -1.554 -15.093 -4.500 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG3 . . . . . . . . . rr_6pqf 1
. 17 . 3319 . 1 1 11 . N N 2.450 -13.351 -3.257 . . . 1.0 . . . . . . . . . . . . A . 11 DBB N . . . . . . . . . rr_6pqf 1
. 17 . 3320 . 1 1 11 . O O 0.703 -11.152 -2.988 . . . 1.0 . . . . . . . . . . . . A . 11 DBB O . . . . . . . . . rr_6pqf 1
. 17 . 3321 . 1 1 12 CYS C C -0.458 -10.295 -0.062 . . . 1.0 . . . . . . . . . . . . A . 12 CYS C . . . . . . . . . rr_6pqf 1
. 17 . 3322 . 1 1 12 CYS CA C -1.291 -11.091 -1.063 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CA . . . . . . . . . rr_6pqf 1
. 17 . 3323 . 1 1 12 CYS CB C -2.625 -11.489 -0.430 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CB . . . . . . . . . rr_6pqf 1
. 17 . 3324 . 1 1 12 CYS H H -0.788 -13.147 -1.116 . . . 1.0 . . . . . . . . . . . . A . 12 CYS H . . . . . . . . . rr_6pqf 1
. 17 . 3325 . 1 1 12 CYS HA H -1.482 -10.472 -1.926 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HA . . . . . . . . . rr_6pqf 1
. 17 . 3326 . 1 1 12 CYS HB2 H -3.085 -12.260 -1.033 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB2 . . . . . . . . . rr_6pqf 1
. 17 . 3327 . 1 1 12 CYS HB3 H -2.444 -11.875 0.562 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB3 . . . . . . . . . rr_6pqf 1
. 17 . 3328 . 1 1 12 CYS N N -0.570 -12.276 -1.512 . . . 1.0 . . . . . . . . . . . . A . 12 CYS N . . . . . . . . . rr_6pqf 1
. 17 . 3329 . 1 1 12 CYS O O -0.890 -10.049 1.063 . . . 1.0 . . . . . . . . . . . . A . 12 CYS O . . . . . . . . . rr_6pqf 1
. 17 . 3330 . 1 1 12 CYS SG S -3.817 -10.119 -0.284 . . . 1.0 . . . . . . . . . . . . A . 12 CYS SG . . . . . . . . . rr_6pqf 1
. 17 . 3331 . 1 1 13 ALA C C 2.096 -7.851 -0.318 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . rr_6pqf 1
. 17 . 3332 . 1 1 13 ALA CA C 1.631 -9.126 0.377 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . rr_6pqf 1
. 17 . 3333 . 1 1 13 ALA CB C 2.826 -9.972 0.789 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . rr_6pqf 1
. 17 . 3334 . 1 1 13 ALA H H 1.027 -10.123 -1.389 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . rr_6pqf 1
. 17 . 3335 . 1 1 13 ALA HA H 1.085 -8.858 1.271 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . rr_6pqf 1
. 17 . 3336 . 1 1 13 ALA HB1 H 3.368 -10.282 -0.094 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . rr_6pqf 1
. 17 . 3337 . 1 1 13 ALA HB2 H 3.477 -9.390 1.425 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . rr_6pqf 1
. 17 . 3338 . 1 1 13 ALA HB3 H 2.483 -10.843 1.325 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . rr_6pqf 1
. 17 . 3339 . 1 1 13 ALA N N 0.738 -9.896 -0.481 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . rr_6pqf 1
. 17 . 3340 . 1 1 13 ALA O O 2.261 -6.823 0.337 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . rr_6pqf 1
. 17 . 3341 . 1 1 14 ALA C C 2.686 -7.281 -3.957 . . . 1.0 . . . . . . . . . . . . A . 14 ALA C . . . . . . . . . rr_6pqf 1
. 17 . 3342 . 1 1 14 ALA CA C 2.738 -6.818 -2.433 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CA . . . . . . . . . rr_6pqf 1
. 17 . 3343 . 1 1 14 ALA CB C 4.115 -6.363 -2.119 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CB . . . . . . . . . rr_6pqf 1
. 17 . 3344 . 1 1 14 ALA H H 2.140 -8.800 -2.056 . . . 1.0 . . . . . . . . . . . . A . 14 ALA H . . . . . . . . . rr_6pqf 1
. 17 . 3345 . 1 1 14 ALA HA H 2.016 -6.026 -2.366 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HA . . . . . . . . . rr_6pqf 1
. 17 . 3346 . 1 1 14 ALA HB1 H 4.617 -7.099 -1.509 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB1 . . . . . . . . . rr_6pqf 1
. 17 . 3347 . 1 1 14 ALA HB2 H 4.636 -6.266 -3.060 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB2 . . . . . . . . . rr_6pqf 1
. 17 . 3348 . 1 1 14 ALA N N 2.298 -7.937 -1.620 . . . 1.0 . . . . . . . . . . . . A . 14 ALA N . . . . . . . . . rr_6pqf 1
. 17 . 3349 . 1 1 14 ALA O O 2.270 -6.523 -4.833 . . . 1.0 . . . . . . . . . . . . A . 14 ALA O . . . . . . . . . rr_6pqf 1
. 17 . 3350 . 1 1 15 SER C C 1.751 -9.225 -6.113 . . . 1.0 . . . . . . . . . . . . A . 15 SER C . . . . . . . . . rr_6pqf 1
. 17 . 3351 . 1 1 15 SER CA C 3.165 -9.041 -5.568 . . . 1.0 . . . . . . . . . . . . A . 15 SER CA . . . . . . . . . rr_6pqf 1
. 17 . 3352 . 1 1 15 SER CB C 3.912 -10.376 -5.595 . . . 1.0 . . . . . . . . . . . . A . 15 SER CB . . . . . . . . . rr_6pqf 1
. 17 . 3353 . 1 1 15 SER H H 3.452 -9.062 -3.471 . . . 1.0 . . . . . . . . . . . . A . 15 SER H . . . . . . . . . rr_6pqf 1
. 17 . 3354 . 1 1 15 SER HA H 3.689 -8.332 -6.192 . . . 1.0 . . . . . . . . . . . . A . 15 SER HA . . . . . . . . . rr_6pqf 1
. 17 . 3355 . 1 1 15 SER HB2 H 4.954 -10.207 -5.373 . . . 1.0 . . . . . . . . . . . . A . 15 SER HB2 . . . . . . . . . rr_6pqf 1
. 17 . 3356 . 1 1 15 SER HB3 H 3.488 -11.037 -4.853 . . . 1.0 . . . . . . . . . . . . A . 15 SER HB3 . . . . . . . . . rr_6pqf 1
. 17 . 3357 . 1 1 15 SER HG H 4.412 -11.738 -6.912 . . . 1.0 . . . . . . . . . . . . A . 15 SER HG . . . . . . . . . rr_6pqf 1
. 17 . 3358 . 1 1 15 SER N N 3.133 -8.506 -4.212 . . . 1.0 . . . . . . . . . . . . A . 15 SER N . . . . . . . . . rr_6pqf 1
. 17 . 3359 . 1 1 15 SER O O 1.332 -8.523 -7.034 . . . 1.0 . . . . . . . . . . . . A . 15 SER O . . . . . . . . . rr_6pqf 1
. 17 . 3360 . 1 1 15 SER OG O 3.810 -10.991 -6.868 . . . 1.0 . . . . . . . . . . . . A . 15 SER OG . . . . . . . . . rr_6pqf 1
. 17 . 3361 . 1 1 16 CYS C C -1.325 -9.476 -5.318 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . rr_6pqf 1
. 17 . 3362 . 1 1 16 CYS CA C -0.345 -10.452 -5.962 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . rr_6pqf 1
. 17 . 3363 . 1 1 16 CYS CB C -0.730 -11.889 -5.603 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . rr_6pqf 1
. 17 . 3364 . 1 1 16 CYS H H 1.411 -10.700 -4.806 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . rr_6pqf 1
. 17 . 3365 . 1 1 16 CYS HA H -0.390 -10.334 -7.034 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . rr_6pqf 1
. 17 . 3366 . 1 1 16 CYS HB2 H -0.913 -11.950 -4.540 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . rr_6pqf 1
. 17 . 3367 . 1 1 16 CYS HB3 H -1.632 -12.155 -6.134 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . rr_6pqf 1
. 17 . 3368 . 1 1 16 CYS N N 1.021 -10.174 -5.536 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . rr_6pqf 1
. 17 . 3369 . 1 1 16 CYS O O -1.429 -9.401 -4.094 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . rr_6pqf 1
. 17 . 3370 . 1 1 16 CYS SG S 0.543 -13.125 -6.017 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . rr_6pqf 1
. 17 . 3371 . 1 1 17 ALA C C -4.254 -8.456 -5.111 . . . 1.0 . . . . . . . . . . . . A . 17 ALA C . . . . . . . . . rr_6pqf 1
. 17 . 3372 . 1 1 17 ALA CA C -3.016 -7.760 -5.665 . . . 1.0 . . . . . . . . . . . . A . 17 ALA CA . . . . . . . . . rr_6pqf 1
. 17 . 3373 . 1 1 17 ALA CB C -3.402 -6.797 -6.777 . . . 1.0 . . . . . . . . . . . . A . 17 ALA CB . . . . . . . . . rr_6pqf 1
. 17 . 3374 . 1 1 17 ALA H H -1.915 -8.836 -7.118 . . . 1.0 . . . . . . . . . . . . A . 17 ALA H . . . . . . . . . rr_6pqf 1
. 17 . 3375 . 1 1 17 ALA HA H -2.551 -7.190 -4.873 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HA . . . . . . . . . rr_6pqf 1
. 17 . 3376 . 1 1 17 ALA HB1 H -2.511 -6.344 -7.186 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB1 . . . . . . . . . rr_6pqf 1
. 17 . 3377 . 1 1 17 ALA HB2 H -3.922 -7.335 -7.556 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB2 . . . . . . . . . rr_6pqf 1
. 17 . 3378 . 1 1 17 ALA HB3 H -4.047 -6.028 -6.379 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB3 . . . . . . . . . rr_6pqf 1
. 17 . 3379 . 1 1 17 ALA N N -2.042 -8.730 -6.152 . . . 1.0 . . . . . . . . . . . . A . 17 ALA N . . . . . . . . . rr_6pqf 1
. 17 . 3380 . 1 1 17 ALA O O -5.284 -8.498 -5.784 . . . 1.0 . . . . . . . . . . . . A . 17 ALA O . . . . . . . . . rr_6pqf 1
. 17 . 3381 . 1 1 18 ALA C C -6.231 -8.575 -2.689 . . . 1.0 . . . . . . . . . . . . A . 18 ALA C . . . . . . . . . rr_6pqf 1
. 17 . 3382 . 1 1 18 ALA CA C -5.220 -9.679 -3.234 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CA . . . . . . . . . rr_6pqf 1
. 17 . 3383 . 1 1 18 ALA CB C -4.769 -10.516 -2.095 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CB . . . . . . . . . rr_6pqf 1
. 17 . 3384 . 1 1 18 ALA H H -3.275 -8.902 -3.448 . . . 1.0 . . . . . . . . . . . . A . 18 ALA H . . . . . . . . . rr_6pqf 1
. 17 . 3385 . 1 1 18 ALA HA H -5.789 -10.235 -3.955 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HA . . . . . . . . . rr_6pqf 1
. 17 . 3386 . 1 1 18 ALA HB1 H -5.605 -11.061 -1.683 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB1 . . . . . . . . . rr_6pqf 1
. 17 . 3387 . 1 1 18 ALA HB2 H -4.047 -11.217 -2.487 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB2 . . . . . . . . . rr_6pqf 1
. 17 . 3388 . 1 1 18 ALA N N -4.137 -8.986 -3.908 . . . 1.0 . . . . . . . . . . . . A . 18 ALA N . . . . . . . . . rr_6pqf 1
. 17 . 3389 . 1 1 18 ALA O O -7.449 -8.746 -2.757 . . . 1.0 . . . . . . . . . . . . A . 18 ALA O . . . . . . . . . rr_6pqf 1
. 17 . 3390 . 1 1 19 SER C C -6.896 -5.420 -2.671 . . . 1.0 . . . . . . . . . . . . A . 19 SER C . . . . . . . . . rr_6pqf 1
. 17 . 3391 . 1 1 19 SER CA C -6.496 -6.420 -1.589 . . . 1.0 . . . . . . . . . . . . A . 19 SER CA . . . . . . . . . rr_6pqf 1
. 17 . 3392 . 1 1 19 SER CB C -5.736 -5.703 -0.472 . . . 1.0 . . . . . . . . . . . . A . 19 SER CB . . . . . . . . . rr_6pqf 1
. 17 . 3393 . 1 1 19 SER H H -4.705 -7.414 -2.124 . . . 1.0 . . . . . . . . . . . . A . 19 SER H . . . . . . . . . rr_6pqf 1
. 17 . 3394 . 1 1 19 SER HA H -7.391 -6.863 -1.177 . . . 1.0 . . . . . . . . . . . . A . 19 SER HA . . . . . . . . . rr_6pqf 1
. 17 . 3395 . 1 1 19 SER HB2 H -6.359 -4.925 -0.057 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB2 . . . . . . . . . rr_6pqf 1
. 17 . 3396 . 1 1 19 SER HB3 H -5.483 -6.413 0.301 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB3 . . . . . . . . . rr_6pqf 1
. 17 . 3397 . 1 1 19 SER HG H -3.862 -5.163 -0.286 . . . 1.0 . . . . . . . . . . . . A . 19 SER HG . . . . . . . . . rr_6pqf 1
. 17 . 3398 . 1 1 19 SER N N -5.682 -7.492 -2.149 . . . 1.0 . . . . . . . . . . . . A . 19 SER N . . . . . . . . . rr_6pqf 1
. 17 . 3399 . 1 1 19 SER O O -8.009 -4.898 -2.667 . . . 1.0 . . . . . . . . . . . . A . 19 SER O . . . . . . . . . rr_6pqf 1
. 17 . 3400 . 1 1 19 SER OG O -4.542 -5.118 -0.963 . . . 1.0 . . . . . . . . . . . . A . 19 SER OG . . . . . . . . . rr_6pqf 1
. 18 . 3401 . 1 1 1 ALA C C 3.712 -1.045 0.296 . . . 1.0 . . . . . . . . . . . . A . 1 ALA C . . . . . . . . . rr_6pqf 1
. 18 . 3402 . 1 1 1 ALA CA C 2.955 0.062 1.023 . . . 1.0 . . . . . . . . . . . . A . 1 ALA CA . . . . . . . . . rr_6pqf 1
. 18 . 3403 . 1 1 1 ALA CB C 3.174 1.398 0.328 . . . 1.0 . . . . . . . . . . . . A . 1 ALA CB . . . . . . . . . rr_6pqf 1
. 18 . 3404 . 1 1 1 ALA H1 H 4.279 0.412 2.636 . . . 1.0 . . . . . . . . . . . . A . 1 ALA H1 . . . . . . . . . rr_6pqf 1
. 18 . 3405 . 1 1 1 ALA HA H 1.898 -0.161 0.995 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HA . . . . . . . . . rr_6pqf 1
. 18 . 3406 . 1 1 1 ALA HB1 H 2.421 2.100 0.656 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB1 . . . . . . . . . rr_6pqf 1
. 18 . 3407 . 1 1 1 ALA HB2 H 4.154 1.776 0.579 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB2 . . . . . . . . . rr_6pqf 1
. 18 . 3408 . 1 1 1 ALA HB3 H 3.101 1.264 -0.740 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB3 . . . . . . . . . rr_6pqf 1
. 18 . 3409 . 1 1 1 ALA N N 3.361 0.145 2.420 . . . 1.0 . . . . . . . . . . . . A . 1 ALA N . . . . . . . . . rr_6pqf 1
. 18 . 3410 . 1 1 1 ALA O O 4.659 -1.620 0.833 . . . 1.0 . . . . . . . . . . . . A . 1 ALA O . . . . . . . . . rr_6pqf 1
. 18 . 3411 . 1 1 2 CYS C C 3.732 -2.111 -3.219 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_6pqf 1
. 18 . 3412 . 1 1 2 CYS CA C 3.925 -2.378 -1.729 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_6pqf 1
. 18 . 3413 . 1 1 2 CYS CB C 3.355 -3.751 -1.368 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_6pqf 1
. 18 . 3414 . 1 1 2 CYS H H 2.528 -0.846 -1.304 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_6pqf 1
. 18 . 3415 . 1 1 2 CYS HA H 4.981 -2.367 -1.508 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_6pqf 1
. 18 . 3416 . 1 1 2 CYS HB2 H 2.589 -3.628 -0.616 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_6pqf 1
. 18 . 3417 . 1 1 2 CYS HB3 H 2.917 -4.194 -2.251 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_6pqf 1
. 18 . 3418 . 1 1 2 CYS N N 3.288 -1.340 -0.929 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_6pqf 1
. 18 . 3419 . 1 1 2 CYS O O 2.629 -1.804 -3.668 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_6pqf 1
. 18 . 3420 . 1 1 2 CYS SG S 4.589 -4.920 -0.714 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_6pqf 1
. 18 . 3421 . 1 1 3 GLY C C 5.776 -2.802 -6.181 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6pqf 1
. 18 . 3422 . 1 1 3 GLY CA C 4.744 -1.999 -5.413 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6pqf 1
. 18 . 3423 . 1 1 3 GLY H H 5.669 -2.478 -3.569 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6pqf 1
. 18 . 3424 . 1 1 3 GLY HA2 H 3.759 -2.270 -5.762 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6pqf 1
. 18 . 3425 . 1 1 3 GLY HA3 H 4.907 -0.949 -5.604 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6pqf 1
. 18 . 3426 . 1 1 3 GLY N N 4.815 -2.231 -3.982 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6pqf 1
. 18 . 3427 . 1 1 3 GLY O O 6.144 -2.459 -7.305 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6pqf 1
. 18 . 3428 . 1 1 4 . C C 8.696 -4.332 -5.872 . . . 1.0 . . . . . . . . . . . . A . 4 DBB C . . . . . . . . . rr_6pqf 1
. 18 . 3429 . 1 1 4 . CA C 7.248 -4.690 -6.254 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CA . . . . . . . . . rr_6pqf 1
. 18 . 3430 . 1 1 4 . CB C 6.935 -6.173 -5.971 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CB . . . . . . . . . rr_6pqf 1
. 18 . 3431 . 1 1 4 . CG C 7.821 -7.055 -6.835 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CG . . . . . . . . . rr_6pqf 1
. 18 . 3432 . 1 1 4 . H H 5.933 -4.119 -4.681 . . . 1.0 . . . . . . . . . . . . A . 4 DBB H . . . . . . . . . rr_6pqf 1
. 18 . 3433 . 1 1 4 . HA H 7.132 -4.535 -7.308 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HA . . . . . . . . . rr_6pqf 1
. 18 . 3434 . 1 1 4 . HB2 H 5.928 -6.319 -6.299 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HB2 . . . . . . . . . rr_6pqf 1
. 18 . 3435 . 1 1 4 . HG1 H 8.808 -7.090 -6.401 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG1 . . . . . . . . . rr_6pqf 1
. 18 . 3436 . 1 1 4 . HG2 H 7.878 -6.643 -7.832 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG2 . . . . . . . . . rr_6pqf 1
. 18 . 3437 . 1 1 4 . HG3 H 7.408 -8.050 -6.875 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG3 . . . . . . . . . rr_6pqf 1
. 18 . 3438 . 1 1 4 . N N 6.250 -3.875 -5.580 . . . 1.0 . . . . . . . . . . . . A . 4 DBB N . . . . . . . . . rr_6pqf 1
. 18 . 3439 . 1 1 4 . O O 8.901 -3.803 -4.781 . . . 1.0 . . . . . . . . . . . . A . 4 DBB O . . . . . . . . . rr_6pqf 1
. 18 . 3440 . 1 1 5 GLY C C 11.710 -5.546 -5.649 . . . 1.0 . . . . . . . . . . . . A . 5 GLY C . . . . . . . . . rr_6pqf 1
. 18 . 3441 . 1 1 5 GLY CA C 11.059 -4.389 -6.379 . . . 1.0 . . . . . . . . . . . . A . 5 GLY CA . . . . . . . . . rr_6pqf 1
. 18 . 3442 . 1 1 5 GLY H H 9.450 -5.073 -7.572 . . . 1.0 . . . . . . . . . . . . A . 5 GLY H . . . . . . . . . rr_6pqf 1
. 18 . 3443 . 1 1 5 GLY HA2 H 11.608 -4.196 -7.289 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA2 . . . . . . . . . rr_6pqf 1
. 18 . 3444 . 1 1 5 GLY HA3 H 11.104 -3.511 -5.751 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA3 . . . . . . . . . rr_6pqf 1
. 18 . 3445 . 1 1 5 GLY N N 9.673 -4.653 -6.715 . . . 1.0 . . . . . . . . . . . . A . 5 GLY N . . . . . . . . . rr_6pqf 1
. 18 . 3446 . 1 1 5 GLY O O 11.312 -5.976 -4.570 . . . 1.0 . . . . . . . . . . . . A . 5 GLY O . . . . . . . . . rr_6pqf 1
. 18 . 3447 . 1 1 6 . C C 12.721 -8.307 -5.015 . . . 1.0 . . . . . . . . . . . . A . 6 IAS C . . . . . . . . . rr_6pqf 1
. 18 . 3448 . 1 1 6 . CA C 13.530 -7.152 -5.577 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CA . . . . . . . . . rr_6pqf 1
. 18 . 3449 . 1 1 6 . CB C 14.512 -6.613 -4.521 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CB . . . . . . . . . rr_6pqf 1
. 18 . 3450 . 1 1 6 . CG C 13.838 -5.788 -3.433 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CG . . . . . . . . . rr_6pqf 1
. 18 . 3451 . 1 1 6 . H H 13.107 -5.765 -7.122 . . . 1.0 . . . . . . . . . . . . A . 6 IAS H . . . . . . . . . rr_6pqf 1
. 18 . 3452 . 1 1 6 . HA H 14.098 -7.672 -6.340 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HA . . . . . . . . . rr_6pqf 1
. 18 . 3453 . 1 1 6 . HB2 H 15.203 -5.947 -5.017 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HB2 . . . . . . . . . rr_6pqf 1
. 18 . 3454 . 1 1 6 . HB3 H 15.055 -7.442 -4.094 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HB3 . . . . . . . . . rr_6pqf 1
. 18 . 3455 . 1 1 6 . HXT H 11.500 -9.327 -6.111 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HXT . . . . . . . . . rr_6pqf 1
. 18 . 3456 . 1 1 6 . N N 12.775 -6.106 -6.246 . . . 1.0 . . . . . . . . . . . . A . 6 IAS N . . . . . . . . . rr_6pqf 1
. 18 . 3457 . 1 1 6 . O O 13.113 -9.066 -4.166 . . . 1.0 . . . . . . . . . . . . A . 6 IAS O . . . . . . . . . rr_6pqf 1
. 18 . 3458 . 1 1 6 . OD1 O 13.969 -4.566 -3.376 . . . 1.0 . . . . . . . . . . . . A . 6 IAS OD1 . . . . . . . . . rr_6pqf 1
. 18 . 3459 . 1 1 6 . OXT O 11.560 -8.466 -5.670 . . . 1.0 . . . . . . . . . . . . A . 6 IAS OXT . . . . . . . . . rr_6pqf 1
. 18 . 3460 . 1 1 7 GLY C C 10.921 -5.966 -1.550 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . rr_6pqf 1
. 18 . 3461 . 1 1 7 GLY CA C 12.427 -5.809 -1.470 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . rr_6pqf 1
. 18 . 3462 . 1 1 7 GLY H H 13.044 -7.452 -2.654 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . rr_6pqf 1
. 18 . 3463 . 1 1 7 GLY HA2 H 12.772 -6.221 -0.533 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . rr_6pqf 1
. 18 . 3464 . 1 1 7 GLY HA3 H 12.669 -4.757 -1.500 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . rr_6pqf 1
. 18 . 3465 . 1 1 7 GLY N N 13.113 -6.479 -2.559 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . rr_6pqf 1
. 18 . 3466 . 1 1 7 GLY O O 10.174 -5.127 -1.045 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . rr_6pqf 1
. 18 . 3467 . 1 1 8 CYS C C 8.738 -8.781 -2.085 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . rr_6pqf 1
. 18 . 3468 . 1 1 8 CYS CA C 9.047 -7.307 -2.333 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . rr_6pqf 1
. 18 . 3469 . 1 1 8 CYS CB C 8.573 -6.903 -3.730 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . rr_6pqf 1
. 18 . 3470 . 1 1 8 CYS H H 11.118 -7.677 -2.567 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . rr_6pqf 1
. 18 . 3471 . 1 1 8 CYS HA H 8.522 -6.714 -1.599 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . rr_6pqf 1
. 18 . 3472 . 1 1 8 CYS HB2 H 9.021 -5.956 -3.994 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . rr_6pqf 1
. 18 . 3473 . 1 1 8 CYS HB3 H 8.888 -7.654 -4.440 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . rr_6pqf 1
. 18 . 3474 . 1 1 8 CYS N N 10.473 -7.043 -2.186 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . rr_6pqf 1
. 18 . 3475 . 1 1 8 CYS O O 9.495 -9.661 -2.494 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . rr_6pqf 1
. 18 . 3476 . 1 1 8 CYS SG S 6.767 -6.721 -3.879 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . rr_6pqf 1
. 18 . 3477 . 1 1 9 ALA C C 6.303 -10.960 -2.206 . . . 1.0 . . . . . . . . . . . . A . 9 ALA C . . . . . . . . . rr_6pqf 1
. 18 . 3478 . 1 1 9 ALA CA C 7.211 -10.408 -1.113 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CA . . . . . . . . . rr_6pqf 1
. 18 . 3479 . 1 1 9 ALA CB C 6.512 -10.464 0.237 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CB . . . . . . . . . rr_6pqf 1
. 18 . 3480 . 1 1 9 ALA H H 7.060 -8.297 -1.113 . . . 1.0 . . . . . . . . . . . . A . 9 ALA H . . . . . . . . . rr_6pqf 1
. 18 . 3481 . 1 1 9 ALA HA H 8.101 -11.018 -1.056 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HA . . . . . . . . . rr_6pqf 1
. 18 . 3482 . 1 1 9 ALA HB1 H 5.705 -9.746 0.253 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB1 . . . . . . . . . rr_6pqf 1
. 18 . 3483 . 1 1 9 ALA HB2 H 6.115 -11.456 0.395 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB2 . . . . . . . . . rr_6pqf 1
. 18 . 3484 . 1 1 9 ALA HB3 H 7.219 -10.230 1.018 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB3 . . . . . . . . . rr_6pqf 1
. 18 . 3485 . 1 1 9 ALA N N 7.622 -9.041 -1.413 . . . 1.0 . . . . . . . . . . . . A . 9 ALA N . . . . . . . . . rr_6pqf 1
. 18 . 3486 . 1 1 9 ALA O O 6.076 -10.311 -3.227 . . . 1.0 . . . . . . . . . . . . A . 9 ALA O . . . . . . . . . rr_6pqf 1
. 18 . 3487 . 1 1 10 LYS C C 3.469 -12.860 -2.425 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_6pqf 1
. 18 . 3488 . 1 1 10 LYS CA C 4.900 -12.805 -2.951 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_6pqf 1
. 18 . 3489 . 1 1 10 LYS CB C 5.393 -14.219 -3.265 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_6pqf 1
. 18 . 3490 . 1 1 10 LYS CD C 6.233 -15.575 -5.206 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_6pqf 1
. 18 . 3491 . 1 1 10 LYS CE C 7.404 -14.797 -5.785 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_6pqf 1
. 18 . 3492 . 1 1 10 LYS CG C 5.142 -14.646 -4.701 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_6pqf 1
. 18 . 3493 . 1 1 10 LYS H H 6.003 -12.633 -1.152 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_6pqf 1
. 18 . 3494 . 1 1 10 LYS HA H 4.915 -12.218 -3.856 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_6pqf 1
. 18 . 3495 . 1 1 10 LYS HB2 H 6.456 -14.267 -3.078 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_6pqf 1
. 18 . 3496 . 1 1 10 LYS HB3 H 4.890 -14.917 -2.611 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_6pqf 1
. 18 . 3497 . 1 1 10 LYS HD2 H 6.588 -16.179 -4.384 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_6pqf 1
. 18 . 3498 . 1 1 10 LYS HD3 H 5.822 -16.215 -5.974 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_6pqf 1
. 18 . 3499 . 1 1 10 LYS HE2 H 7.729 -14.067 -5.059 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_6pqf 1
. 18 . 3500 . 1 1 10 LYS HE3 H 8.211 -15.485 -5.989 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_6pqf 1
. 18 . 3501 . 1 1 10 LYS HG2 H 4.194 -15.160 -4.754 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_6pqf 1
. 18 . 3502 . 1 1 10 LYS HG3 H 5.112 -13.766 -5.328 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_6pqf 1
. 18 . 3503 . 1 1 10 LYS HZ1 H 6.707 -13.131 -6.834 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . rr_6pqf 1
. 18 . 3504 . 1 1 10 LYS HZ2 H 6.273 -14.610 -7.531 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . rr_6pqf 1
. 18 . 3505 . 1 1 10 LYS HZ3 H 7.858 -14.039 -7.678 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_6pqf 1
. 18 . 3506 . 1 1 10 LYS N N 5.785 -12.164 -1.986 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_6pqf 1
. 18 . 3507 . 1 1 10 LYS NZ N 7.035 -14.095 -7.046 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_6pqf 1
. 18 . 3508 . 1 1 10 LYS O O 3.187 -12.467 -1.292 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_6pqf 1
. 18 . 3509 . 1 1 11 . C C 0.573 -12.071 -2.424 . . . 1.0 . . . . . . . . . . . . A . 11 DBB C . . . . . . . . . rr_6pqf 1
. 18 . 3510 . 1 1 11 . CA C 1.176 -13.431 -2.820 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CA . . . . . . . . . rr_6pqf 1
. 18 . 3511 . 1 1 11 . CB C 0.362 -14.111 -3.939 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CB . . . . . . . . . rr_6pqf 1
. 18 . 3512 . 1 1 11 . CG C -1.042 -14.410 -3.438 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CG . . . . . . . . . rr_6pqf 1
. 18 . 3513 . 1 1 11 . H H 2.825 -13.655 -4.147 . . . 1.0 . . . . . . . . . . . . A . 11 DBB H . . . . . . . . . rr_6pqf 1
. 18 . 3514 . 1 1 11 . HA H 1.140 -14.074 -1.963 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HA . . . . . . . . . rr_6pqf 1
. 18 . 3515 . 1 1 11 . HB2 H 0.842 -15.050 -4.110 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HB2 . . . . . . . . . rr_6pqf 1
. 18 . 3516 . 1 1 11 . HG1 H -1.527 -15.073 -4.138 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG1 . . . . . . . . . rr_6pqf 1
. 18 . 3517 . 1 1 11 . HG2 H -1.602 -13.491 -3.362 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG2 . . . . . . . . . rr_6pqf 1
. 18 . 3518 . 1 1 11 . HG3 H -0.985 -14.884 -2.471 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG3 . . . . . . . . . rr_6pqf 1
. 18 . 3519 . 1 1 11 . N N 2.564 -13.350 -3.248 . . . 1.0 . . . . . . . . . . . . A . 11 DBB N . . . . . . . . . rr_6pqf 1
. 18 . 3520 . 1 1 11 . O O 1.033 -11.052 -2.941 . . . 1.0 . . . . . . . . . . . . A . 11 DBB O . . . . . . . . . rr_6pqf 1
. 18 . 3521 . 1 1 12 CYS C C -0.153 -9.895 -0.442 . . . 1.0 . . . . . . . . . . . . A . 12 CYS C . . . . . . . . . rr_6pqf 1
. 18 . 3522 . 1 1 12 CYS CA C -1.110 -10.809 -1.201 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CA . . . . . . . . . rr_6pqf 1
. 18 . 3523 . 1 1 12 CYS CB C -2.343 -11.100 -0.343 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CB . . . . . . . . . rr_6pqf 1
. 18 . 3524 . 1 1 12 CYS H H -0.774 -12.898 -1.199 . . . 1.0 . . . . . . . . . . . . A . 12 CYS H . . . . . . . . . rr_6pqf 1
. 18 . 3525 . 1 1 12 CYS HA H -1.422 -10.310 -2.106 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HA . . . . . . . . . rr_6pqf 1
. 18 . 3526 . 1 1 12 CYS HB2 H -2.053 -11.725 0.489 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB2 . . . . . . . . . rr_6pqf 1
. 18 . 3527 . 1 1 12 CYS HB3 H -2.738 -10.168 0.034 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB3 . . . . . . . . . rr_6pqf 1
. 18 . 3528 . 1 1 12 CYS N N -0.452 -12.053 -1.579 . . . 1.0 . . . . . . . . . . . . A . 12 CYS N . . . . . . . . . rr_6pqf 1
. 18 . 3529 . 1 1 12 CYS O O -0.438 -8.716 -0.233 . . . 1.0 . . . . . . . . . . . . A . 12 CYS O . . . . . . . . . rr_6pqf 1
. 18 . 3530 . 1 1 12 CYS SG S -3.685 -11.952 -1.233 . . . 1.0 . . . . . . . . . . . . A . 12 CYS SG . . . . . . . . . rr_6pqf 1
. 18 . 3531 . 1 1 13 ALA C C 2.246 -8.338 0.034 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . rr_6pqf 1
. 18 . 3532 . 1 1 13 ALA CA C 1.985 -9.684 0.701 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . rr_6pqf 1
. 18 . 3533 . 1 1 13 ALA CB C 3.278 -10.478 0.814 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . rr_6pqf 1
. 18 . 3534 . 1 1 13 ALA H H 1.154 -11.393 -0.229 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . rr_6pqf 1
. 18 . 3535 . 1 1 13 ALA HA H 1.609 -9.512 1.700 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . rr_6pqf 1
. 18 . 3536 . 1 1 13 ALA HB1 H 3.050 -11.499 1.084 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . rr_6pqf 1
. 18 . 3537 . 1 1 13 ALA HB2 H 3.793 -10.463 -0.135 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . rr_6pqf 1
. 18 . 3538 . 1 1 13 ALA HB3 H 3.906 -10.037 1.573 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . rr_6pqf 1
. 18 . 3539 . 1 1 13 ALA N N 0.984 -10.448 -0.032 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . rr_6pqf 1
. 18 . 3540 . 1 1 13 ALA O O 2.377 -7.328 0.725 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . rr_6pqf 1
. 18 . 3541 . 1 1 14 ALA C C 2.450 -7.562 -3.610 . . . 1.0 . . . . . . . . . . . . A . 14 ALA C . . . . . . . . . rr_6pqf 1
. 18 . 3542 . 1 1 14 ALA CA C 2.552 -7.150 -2.074 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CA . . . . . . . . . rr_6pqf 1
. 18 . 3543 . 1 1 14 ALA CB C 3.882 -6.535 -1.834 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CB . . . . . . . . . rr_6pqf 1
. 18 . 3544 . 1 1 14 ALA H H 2.197 -9.199 -1.749 . . . 1.0 . . . . . . . . . . . . A . 14 ALA H . . . . . . . . . rr_6pqf 1
. 18 . 3545 . 1 1 14 ALA HA H 1.745 -6.459 -1.925 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HA . . . . . . . . . rr_6pqf 1
. 18 . 3546 . 1 1 14 ALA HB1 H 4.563 -7.273 -1.436 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB1 . . . . . . . . . rr_6pqf 1
. 18 . 3547 . 1 1 14 ALA HB2 H 4.248 -6.193 -2.791 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB2 . . . . . . . . . rr_6pqf 1
. 18 . 3548 . 1 1 14 ALA N N 2.315 -8.344 -1.284 . . . 1.0 . . . . . . . . . . . . A . 14 ALA N . . . . . . . . . rr_6pqf 1
. 18 . 3549 . 1 1 14 ALA O O 1.741 -6.924 -4.389 . . . 1.0 . . . . . . . . . . . . A . 14 ALA O . . . . . . . . . rr_6pqf 1
. 18 . 3550 . 1 1 15 SER C C 1.778 -9.214 -5.911 . . . 1.0 . . . . . . . . . . . . A . 15 SER C . . . . . . . . . rr_6pqf 1
. 18 . 3551 . 1 1 15 SER CA C 3.197 -9.068 -5.371 . . . 1.0 . . . . . . . . . . . . A . 15 SER CA . . . . . . . . . rr_6pqf 1
. 18 . 3552 . 1 1 15 SER CB C 3.935 -10.404 -5.475 . . . 1.0 . . . . . . . . . . . . A . 15 SER CB . . . . . . . . . rr_6pqf 1
. 18 . 3553 . 1 1 15 SER H H 3.726 -9.073 -3.320 . . . 1.0 . . . . . . . . . . . . A . 15 SER H . . . . . . . . . rr_6pqf 1
. 18 . 3554 . 1 1 15 SER HA H 3.721 -8.331 -5.961 . . . 1.0 . . . . . . . . . . . . A . 15 SER HA . . . . . . . . . rr_6pqf 1
. 18 . 3555 . 1 1 15 SER HB2 H 4.984 -10.250 -5.273 . . . 1.0 . . . . . . . . . . . . A . 15 SER HB2 . . . . . . . . . rr_6pqf 1
. 18 . 3556 . 1 1 15 SER HB3 H 3.526 -11.095 -4.752 . . . 1.0 . . . . . . . . . . . . A . 15 SER HB3 . . . . . . . . . rr_6pqf 1
. 18 . 3557 . 1 1 15 SER HG H 4.497 -11.602 -6.920 . . . 1.0 . . . . . . . . . . . . A . 15 SER HG . . . . . . . . . rr_6pqf 1
. 18 . 3558 . 1 1 15 SER N N 3.182 -8.605 -3.988 . . . 1.0 . . . . . . . . . . . . A . 15 SER N . . . . . . . . . rr_6pqf 1
. 18 . 3559 . 1 1 15 SER O O 1.307 -8.379 -6.684 . . . 1.0 . . . . . . . . . . . . A . 15 SER O . . . . . . . . . rr_6pqf 1
. 18 . 3560 . 1 1 15 SER OG O 3.797 -10.963 -6.770 . . . 1.0 . . . . . . . . . . . . A . 15 SER OG . . . . . . . . . rr_6pqf 1
. 18 . 3561 . 1 1 16 CYS C C -1.228 -9.507 -5.357 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . rr_6pqf 1
. 18 . 3562 . 1 1 16 CYS CA C -0.264 -10.537 -5.938 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . rr_6pqf 1
. 18 . 3563 . 1 1 16 CYS CB C -0.698 -11.946 -5.527 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . rr_6pqf 1
. 18 . 3564 . 1 1 16 CYS H H 1.531 -10.909 -4.880 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . rr_6pqf 1
. 18 . 3565 . 1 1 16 CYS HA H -0.285 -10.464 -7.015 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . rr_6pqf 1
. 18 . 3566 . 1 1 16 CYS HB2 H -0.868 -11.965 -4.460 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . rr_6pqf 1
. 18 . 3567 . 1 1 16 CYS HB3 H -1.617 -12.194 -6.037 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . rr_6pqf 1
. 18 . 3568 . 1 1 16 CYS N N 1.101 -10.280 -5.497 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . rr_6pqf 1
. 18 . 3569 . 1 1 16 CYS O O -1.246 -9.271 -4.149 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . rr_6pqf 1
. 18 . 3570 . 1 1 16 CYS SG S 0.521 -13.243 -5.915 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . rr_6pqf 1
. 18 . 3571 . 1 1 17 ALA C C -4.210 -8.543 -5.149 . . . 1.0 . . . . . . . . . . . . A . 17 ALA C . . . . . . . . . rr_6pqf 1
. 18 . 3572 . 1 1 17 ALA CA C -2.994 -7.892 -5.799 . . . 1.0 . . . . . . . . . . . . A . 17 ALA CA . . . . . . . . . rr_6pqf 1
. 18 . 3573 . 1 1 17 ALA CB C -3.421 -7.034 -6.981 . . . 1.0 . . . . . . . . . . . . A . 17 ALA CB . . . . . . . . . rr_6pqf 1
. 18 . 3574 . 1 1 17 ALA H H -1.965 -9.126 -7.176 . . . 1.0 . . . . . . . . . . . . A . 17 ALA H . . . . . . . . . rr_6pqf 1
. 18 . 3575 . 1 1 17 ALA HA H -2.512 -7.250 -5.075 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HA . . . . . . . . . rr_6pqf 1
. 18 . 3576 . 1 1 17 ALA HB1 H -2.730 -6.211 -7.095 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB1 . . . . . . . . . rr_6pqf 1
. 18 . 3577 . 1 1 17 ALA HB2 H -3.419 -7.633 -7.879 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB2 . . . . . . . . . rr_6pqf 1
. 18 . 3578 . 1 1 17 ALA HB3 H -4.414 -6.649 -6.806 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB3 . . . . . . . . . rr_6pqf 1
. 18 . 3579 . 1 1 17 ALA N N -2.026 -8.895 -6.226 . . . 1.0 . . . . . . . . . . . . A . 17 ALA N . . . . . . . . . rr_6pqf 1
. 18 . 3580 . 1 1 17 ALA O O -5.280 -8.579 -5.755 . . . 1.0 . . . . . . . . . . . . A . 17 ALA O . . . . . . . . . rr_6pqf 1
. 18 . 3581 . 1 1 18 ALA C C -6.233 -8.616 -2.942 . . . 1.0 . . . . . . . . . . . . A . 18 ALA C . . . . . . . . . rr_6pqf 1
. 18 . 3582 . 1 1 18 ALA CA C -5.081 -9.690 -3.180 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CA . . . . . . . . . rr_6pqf 1
. 18 . 3583 . 1 1 18 ALA CB C -4.630 -10.205 -1.864 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CB . . . . . . . . . rr_6pqf 1
. 18 . 3584 . 1 1 18 ALA H H -3.138 -8.965 -3.538 . . . 1.0 . . . . . . . . . . . . A . 18 ALA H . . . . . . . . . rr_6pqf 1
. 18 . 3585 . 1 1 18 ALA HA H -5.540 -10.449 -3.786 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HA . . . . . . . . . rr_6pqf 1
. 18 . 3586 . 1 1 18 ALA HB1 H -3.955 -9.498 -1.402 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB1 . . . . . . . . . rr_6pqf 1
. 18 . 3587 . 1 1 18 ALA HB2 H -5.511 -10.309 -1.248 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB2 . . . . . . . . . rr_6pqf 1
. 18 . 3588 . 1 1 18 ALA N N -4.028 -9.041 -3.941 . . . 1.0 . . . . . . . . . . . . A . 18 ALA N . . . . . . . . . rr_6pqf 1
. 18 . 3589 . 1 1 18 ALA O O -7.419 -8.942 -2.988 . . . 1.0 . . . . . . . . . . . . A . 18 ALA O . . . . . . . . . rr_6pqf 1
. 18 . 3590 . 1 1 19 SER C C -7.063 -5.500 -3.677 . . . 1.0 . . . . . . . . . . . . A . 19 SER C . . . . . . . . . rr_6pqf 1
. 18 . 3591 . 1 1 19 SER CA C -6.787 -6.305 -2.411 . . . 1.0 . . . . . . . . . . . . A . 19 SER CA . . . . . . . . . rr_6pqf 1
. 18 . 3592 . 1 1 19 SER CB C -6.258 -5.382 -1.311 . . . 1.0 . . . . . . . . . . . . A . 19 SER CB . . . . . . . . . rr_6pqf 1
. 18 . 3593 . 1 1 19 SER H H -4.873 -7.179 -2.652 . . . 1.0 . . . . . . . . . . . . A . 19 SER H . . . . . . . . . rr_6pqf 1
. 18 . 3594 . 1 1 19 SER HA H -7.709 -6.757 -2.077 . . . 1.0 . . . . . . . . . . . . A . 19 SER HA . . . . . . . . . rr_6pqf 1
. 18 . 3595 . 1 1 19 SER HB2 H -6.535 -5.781 -0.347 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB2 . . . . . . . . . rr_6pqf 1
. 18 . 3596 . 1 1 19 SER HB3 H -5.182 -5.323 -1.381 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB3 . . . . . . . . . rr_6pqf 1
. 18 . 3597 . 1 1 19 SER HG H -7.658 -4.044 -1.016 . . . 1.0 . . . . . . . . . . . . A . 19 SER HG . . . . . . . . . rr_6pqf 1
. 18 . 3598 . 1 1 19 SER N N -5.833 -7.377 -2.674 . . . 1.0 . . . . . . . . . . . . A . 19 SER N . . . . . . . . . rr_6pqf 1
. 18 . 3599 . 1 1 19 SER O O -6.159 -4.892 -4.247 . . . 1.0 . . . . . . . . . . . . A . 19 SER O . . . . . . . . . rr_6pqf 1
. 18 . 3600 . 1 1 19 SER OG O -6.797 -4.078 -1.438 . . . 1.0 . . . . . . . . . . . . A . 19 SER OG . . . . . . . . . rr_6pqf 1
. 19 . 3601 . 1 1 1 ALA C C 5.997 -0.506 -0.780 . . . 1.0 . . . . . . . . . . . . A . 1 ALA C . . . . . . . . . rr_6pqf 1
. 19 . 3602 . 1 1 1 ALA CA C 5.213 0.485 0.073 . . . 1.0 . . . . . . . . . . . . A . 1 ALA CA . . . . . . . . . rr_6pqf 1
. 19 . 3603 . 1 1 1 ALA CB C 4.688 1.625 -0.787 . . . 1.0 . . . . . . . . . . . . A . 1 ALA CB . . . . . . . . . rr_6pqf 1
. 19 . 3604 . 1 1 1 ALA H1 H 6.975 0.741 1.217 . . . 1.0 . . . . . . . . . . . . A . 1 ALA H1 . . . . . . . . . rr_6pqf 1
. 19 . 3605 . 1 1 1 ALA HA H 4.365 -0.023 0.510 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HA . . . . . . . . . rr_6pqf 1
. 19 . 3606 . 1 1 1 ALA HB1 H 4.701 1.327 -1.825 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB1 . . . . . . . . . rr_6pqf 1
. 19 . 3607 . 1 1 1 ALA HB2 H 3.677 1.863 -0.492 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB2 . . . . . . . . . rr_6pqf 1
. 19 . 3608 . 1 1 1 ALA HB3 H 5.316 2.494 -0.654 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB3 . . . . . . . . . rr_6pqf 1
. 19 . 3609 . 1 1 1 ALA N N 6.034 1.007 1.159 . . . 1.0 . . . . . . . . . . . . A . 1 ALA N . . . . . . . . . rr_6pqf 1
. 19 . 3610 . 1 1 1 ALA O O 7.215 -0.392 -0.922 . . . 1.0 . . . . . . . . . . . . A . 1 ALA O . . . . . . . . . rr_6pqf 1
. 19 . 3611 . 1 1 2 CYS C C 5.915 -2.065 -3.651 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_6pqf 1
. 19 . 3612 . 1 1 2 CYS CA C 5.921 -2.492 -2.186 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_6pqf 1
. 19 . 3613 . 1 1 2 CYS CB C 5.201 -3.833 -2.031 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_6pqf 1
. 19 . 3614 . 1 1 2 CYS H H 4.323 -1.518 -1.197 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_6pqf 1
. 19 . 3615 . 1 1 2 CYS HA H 6.944 -2.603 -1.861 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_6pqf 1
. 19 . 3616 . 1 1 2 CYS HB2 H 4.437 -3.736 -1.272 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_6pqf 1
. 19 . 3617 . 1 1 2 CYS HB3 H 4.737 -4.094 -2.970 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_6pqf 1
. 19 . 3618 . 1 1 2 CYS N N 5.292 -1.479 -1.347 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_6pqf 1
. 19 . 3619 . 1 1 2 CYS O O 4.935 -2.274 -4.365 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_6pqf 1
. 19 . 3620 . 1 1 2 CYS SG S 6.290 -5.210 -1.546 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_6pqf 1
. 19 . 3621 . 1 1 3 GLY C C 7.276 -2.170 -6.442 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6pqf 1
. 19 . 3622 . 1 1 3 GLY CA C 7.118 -1.019 -5.469 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6pqf 1
. 19 . 3623 . 1 1 3 GLY H H 7.767 -1.325 -3.477 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6pqf 1
. 19 . 3624 . 1 1 3 GLY HA2 H 6.225 -0.466 -5.723 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6pqf 1
. 19 . 3625 . 1 1 3 GLY HA3 H 7.972 -0.365 -5.562 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6pqf 1
. 19 . 3626 . 1 1 3 GLY N N 7.017 -1.465 -4.092 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6pqf 1
. 19 . 3627 . 1 1 3 GLY O O 6.922 -2.067 -7.617 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6pqf 1
. 19 . 3628 . 1 1 4 . C C 9.361 -4.429 -7.553 . . . 1.0 . . . . . . . . . . . . A . 4 DBB C . . . . . . . . . rr_6pqf 1
. 19 . 3629 . 1 1 4 . CA C 7.999 -4.420 -6.836 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CA . . . . . . . . . rr_6pqf 1
. 19 . 3630 . 1 1 4 . CB C 7.781 -5.704 -6.011 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CB . . . . . . . . . rr_6pqf 1
. 19 . 3631 . 1 1 4 . CG C 7.753 -6.908 -6.939 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CG . . . . . . . . . rr_6pqf 1
. 19 . 3632 . 1 1 4 . H H 8.081 -3.323 -5.015 . . . 1.0 . . . . . . . . . . . . A . 4 DBB H . . . . . . . . . rr_6pqf 1
. 19 . 3633 . 1 1 4 . HA H 7.230 -4.386 -7.582 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HA . . . . . . . . . rr_6pqf 1
. 19 . 3634 . 1 1 4 . HB2 H 6.804 -5.609 -5.589 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HB2 . . . . . . . . . rr_6pqf 1
. 19 . 3635 . 1 1 4 . HG1 H 8.557 -7.575 -6.669 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG1 . . . . . . . . . rr_6pqf 1
. 19 . 3636 . 1 1 4 . HG2 H 7.882 -6.580 -7.960 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG2 . . . . . . . . . rr_6pqf 1
. 19 . 3637 . 1 1 4 . HG3 H 6.809 -7.419 -6.837 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG3 . . . . . . . . . rr_6pqf 1
. 19 . 3638 . 1 1 4 . N N 7.810 -3.276 -5.959 . . . 1.0 . . . . . . . . . . . . A . 4 DBB N . . . . . . . . . rr_6pqf 1
. 19 . 3639 . 1 1 4 . O O 9.379 -4.542 -8.777 . . . 1.0 . . . . . . . . . . . . A . 4 DBB O . . . . . . . . . rr_6pqf 1
. 19 . 3640 . 1 1 5 GLY C C 12.889 -4.022 -6.456 . . . 1.0 . . . . . . . . . . . . A . 5 GLY C . . . . . . . . . rr_6pqf 1
. 19 . 3641 . 1 1 5 GLY CA C 11.768 -4.211 -7.457 . . . 1.0 . . . . . . . . . . . . A . 5 GLY CA . . . . . . . . . rr_6pqf 1
. 19 . 3642 . 1 1 5 GLY H H 10.388 -4.180 -5.852 . . . 1.0 . . . . . . . . . . . . A . 5 GLY H . . . . . . . . . rr_6pqf 1
. 19 . 3643 . 1 1 5 GLY HA2 H 11.932 -5.131 -7.997 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA2 . . . . . . . . . rr_6pqf 1
. 19 . 3644 . 1 1 5 GLY HA3 H 11.782 -3.388 -8.156 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA3 . . . . . . . . . rr_6pqf 1
. 19 . 3645 . 1 1 5 GLY N N 10.462 -4.265 -6.825 . . . 1.0 . . . . . . . . . . . . A . 5 GLY N . . . . . . . . . rr_6pqf 1
. 19 . 3646 . 1 1 5 GLY O O 13.814 -3.230 -6.615 . . . 1.0 . . . . . . . . . . . . A . 5 GLY O . . . . . . . . . rr_6pqf 1
. 19 . 3647 . 1 1 6 . C C 15.181 -5.446 -4.829 . . . 1.0 . . . . . . . . . . . . A . 6 IAS C . . . . . . . . . rr_6pqf 1
. 19 . 3648 . 1 1 6 . CA C 13.914 -4.744 -4.376 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CA . . . . . . . . . rr_6pqf 1
. 19 . 3649 . 1 1 6 . CB C 13.492 -5.234 -2.979 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CB . . . . . . . . . rr_6pqf 1
. 19 . 3650 . 1 1 6 . CG C 12.878 -6.627 -2.986 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CG . . . . . . . . . rr_6pqf 1
. 19 . 3651 . 1 1 6 . H H 12.087 -5.423 -5.207 . . . 1.0 . . . . . . . . . . . . A . 6 IAS H . . . . . . . . . rr_6pqf 1
. 19 . 3652 . 1 1 6 . HA H 14.237 -3.713 -4.295 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HA . . . . . . . . . rr_6pqf 1
. 19 . 3653 . 1 1 6 . HB2 H 12.723 -4.570 -2.610 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HB2 . . . . . . . . . rr_6pqf 1
. 19 . 3654 . 1 1 6 . HB3 H 14.347 -5.193 -2.322 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HB3 . . . . . . . . . rr_6pqf 1
. 19 . 3655 . 1 1 6 . HXT H 15.619 -6.760 -6.174 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HXT . . . . . . . . . rr_6pqf 1
. 19 . 3656 . 1 1 6 . N N 12.833 -4.777 -5.347 . . . 1.0 . . . . . . . . . . . . A . 6 IAS N . . . . . . . . . rr_6pqf 1
. 19 . 3657 . 1 1 6 . O O 16.295 -5.017 -4.667 . . . 1.0 . . . . . . . . . . . . A . 6 IAS O . . . . . . . . . rr_6pqf 1
. 19 . 3658 . 1 1 6 . OD1 O 12.319 -7.082 -3.983 . . . 1.0 . . . . . . . . . . . . A . 6 IAS OD1 . . . . . . . . . rr_6pqf 1
. 19 . 3659 . 1 1 6 . OXT O 14.909 -6.544 -5.551 . . . 1.0 . . . . . . . . . . . . A . 6 IAS OXT . . . . . . . . . rr_6pqf 1
. 19 . 3660 . 1 1 7 GLY C C 10.927 -8.632 -1.550 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . rr_6pqf 1
. 19 . 3661 . 1 1 7 GLY CA C 12.433 -8.640 -1.721 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . rr_6pqf 1
. 19 . 3662 . 1 1 7 GLY H H 13.441 -6.890 -1.082 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . rr_6pqf 1
. 19 . 3663 . 1 1 7 GLY HA2 H 12.682 -9.203 -2.608 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . rr_6pqf 1
. 19 . 3664 . 1 1 7 GLY HA3 H 12.879 -9.122 -0.863 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . rr_6pqf 1
. 19 . 3665 . 1 1 7 GLY N N 12.984 -7.303 -1.845 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . rr_6pqf 1
. 19 . 3666 . 1 1 7 GLY O O 10.413 -8.992 -0.490 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . rr_6pqf 1
. 19 . 3667 . 1 1 8 CYS C C 8.167 -9.562 -2.399 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . rr_6pqf 1
. 19 . 3668 . 1 1 8 CYS CA C 8.760 -8.165 -2.555 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . rr_6pqf 1
. 19 . 3669 . 1 1 8 CYS CB C 8.220 -7.508 -3.827 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . rr_6pqf 1
. 19 . 3670 . 1 1 8 CYS H H 10.683 -7.946 -3.412 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . rr_6pqf 1
. 19 . 3671 . 1 1 8 CYS HA H 8.474 -7.568 -1.703 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . rr_6pqf 1
. 19 . 3672 . 1 1 8 CYS HB2 H 8.397 -8.166 -4.666 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . rr_6pqf 1
. 19 . 3673 . 1 1 8 CYS HB3 H 7.157 -7.350 -3.718 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . rr_6pqf 1
. 19 . 3674 . 1 1 8 CYS N N 10.217 -8.220 -2.594 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . rr_6pqf 1
. 19 . 3675 . 1 1 8 CYS O O 8.368 -10.431 -3.247 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . rr_6pqf 1
. 19 . 3676 . 1 1 8 CYS SG S 8.983 -5.900 -4.216 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . rr_6pqf 1
. 19 . 3677 . 1 1 9 ALA C C 5.704 -11.352 -2.051 . . . 1.0 . . . . . . . . . . . . A . 9 ALA C . . . . . . . . . rr_6pqf 1
. 19 . 3678 . 1 1 9 ALA CA C 6.810 -11.059 -1.043 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CA . . . . . . . . . rr_6pqf 1
. 19 . 3679 . 1 1 9 ALA CB C 6.259 -11.096 0.375 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CB . . . . . . . . . rr_6pqf 1
. 19 . 3680 . 1 1 9 ALA H H 7.311 -9.037 -0.670 . . . 1.0 . . . . . . . . . . . . A . 9 ALA H . . . . . . . . . rr_6pqf 1
. 19 . 3681 . 1 1 9 ALA HA H 7.571 -11.822 -1.127 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HA . . . . . . . . . rr_6pqf 1
. 19 . 3682 . 1 1 9 ALA HB1 H 5.852 -10.128 0.627 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB1 . . . . . . . . . rr_6pqf 1
. 19 . 3683 . 1 1 9 ALA HB2 H 5.481 -11.842 0.439 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB2 . . . . . . . . . rr_6pqf 1
. 19 . 3684 . 1 1 9 ALA HB3 H 7.054 -11.343 1.063 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB3 . . . . . . . . . rr_6pqf 1
. 19 . 3685 . 1 1 9 ALA N N 7.435 -9.769 -1.310 . . . 1.0 . . . . . . . . . . . . A . 9 ALA N . . . . . . . . . rr_6pqf 1
. 19 . 3686 . 1 1 9 ALA O O 5.332 -10.491 -2.848 . . . 1.0 . . . . . . . . . . . . A . 9 ALA O . . . . . . . . . rr_6pqf 1
. 19 . 3687 . 1 1 10 LYS C C 2.747 -12.809 -2.265 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_6pqf 1
. 19 . 3688 . 1 1 10 LYS CA C 4.115 -12.979 -2.919 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_6pqf 1
. 19 . 3689 . 1 1 10 LYS CB C 4.310 -14.436 -3.346 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_6pqf 1
. 19 . 3690 . 1 1 10 LYS CD C 5.486 -14.001 -5.522 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_6pqf 1
. 19 . 3691 . 1 1 10 LYS CE C 6.809 -14.088 -6.269 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_6pqf 1
. 19 . 3692 . 1 1 10 LYS CG C 5.571 -14.668 -4.159 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_6pqf 1
. 19 . 3693 . 1 1 10 LYS H H 5.518 -13.215 -1.351 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_6pqf 1
. 19 . 3694 . 1 1 10 LYS HA H 4.165 -12.347 -3.792 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_6pqf 1
. 19 . 3695 . 1 1 10 LYS HB2 H 4.358 -15.054 -2.461 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_6pqf 1
. 19 . 3696 . 1 1 10 LYS HB3 H 3.462 -14.740 -3.942 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_6pqf 1
. 19 . 3697 . 1 1 10 LYS HD2 H 4.723 -14.493 -6.107 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_6pqf 1
. 19 . 3698 . 1 1 10 LYS HD3 H 5.226 -12.961 -5.389 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_6pqf 1
. 19 . 3699 . 1 1 10 LYS HE2 H 7.582 -13.651 -5.656 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_6pqf 1
. 19 . 3700 . 1 1 10 LYS HE3 H 7.037 -15.128 -6.450 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_6pqf 1
. 19 . 3701 . 1 1 10 LYS HG2 H 6.415 -14.259 -3.623 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_6pqf 1
. 19 . 3702 . 1 1 10 LYS HG3 H 5.710 -15.731 -4.296 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_6pqf 1
. 19 . 3703 . 1 1 10 LYS HZ1 H 6.617 -12.351 -7.412 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . rr_6pqf 1
. 19 . 3704 . 1 1 10 LYS HZ2 H 5.972 -13.730 -8.149 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . rr_6pqf 1
. 19 . 3705 . 1 1 10 LYS HZ3 H 7.648 -13.507 -8.091 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_6pqf 1
. 19 . 3706 . 1 1 10 LYS N N 5.180 -12.572 -2.010 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_6pqf 1
. 19 . 3707 . 1 1 10 LYS NZ N 6.758 -13.369 -7.571 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_6pqf 1
. 19 . 3708 . 1 1 10 LYS O O 2.633 -12.353 -1.127 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_6pqf 1
. 19 . 3709 . 1 1 11 . C C 0.059 -11.626 -1.911 . . . 1.0 . . . . . . . . . . . . A . 11 DBB C . . . . . . . . . rr_6pqf 1
. 19 . 3710 . 1 1 11 . CA C 0.369 -13.041 -2.433 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CA . . . . . . . . . rr_6pqf 1
. 19 . 3711 . 1 1 11 . CB C -0.647 -13.487 -3.504 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CB . . . . . . . . . rr_6pqf 1
. 19 . 3712 . 1 1 11 . CG C -2.034 -13.568 -2.889 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CG . . . . . . . . . rr_6pqf 1
. 19 . 3713 . 1 1 11 . H H 1.835 -13.537 -3.893 . . . 1.0 . . . . . . . . . . . . A . 11 DBB H . . . . . . . . . rr_6pqf 1
. 19 . 3714 . 1 1 11 . HA H 0.288 -13.725 -1.612 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HA . . . . . . . . . rr_6pqf 1
. 19 . 3715 . 1 1 11 . HB2 H -0.362 -14.482 -3.770 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HB2 . . . . . . . . . rr_6pqf 1
. 19 . 3716 . 1 1 11 . HG1 H -2.691 -14.078 -3.577 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG1 . . . . . . . . . rr_6pqf 1
. 19 . 3717 . 1 1 11 . HG2 H -2.406 -12.571 -2.705 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG2 . . . . . . . . . rr_6pqf 1
. 19 . 3718 . 1 1 11 . HG3 H -1.986 -14.116 -1.962 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG3 . . . . . . . . . rr_6pqf 1
. 19 . 3719 . 1 1 11 . N N 1.707 -13.177 -2.987 . . . 1.0 . . . . . . . . . . . . A . 11 DBB N . . . . . . . . . rr_6pqf 1
. 19 . 3720 . 1 1 11 . O O 0.584 -10.665 -2.473 . . . 1.0 . . . . . . . . . . . . A . 11 DBB O . . . . . . . . . rr_6pqf 1
. 19 . 3721 . 1 1 12 CYS C C -0.092 -9.607 0.499 . . . 1.0 . . . . . . . . . . . . A . 12 CYS C . . . . . . . . . rr_6pqf 1
. 19 . 3722 . 1 1 12 CYS CA C -1.186 -10.185 -0.394 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CA . . . . . . . . . rr_6pqf 1
. 19 . 3723 . 1 1 12 CYS CB C -2.497 -10.285 0.387 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CB . . . . . . . . . rr_6pqf 1
. 19 . 3724 . 1 1 12 CYS H H -1.186 -12.300 -0.498 . . . 1.0 . . . . . . . . . . . . A . 12 CYS H . . . . . . . . . rr_6pqf 1
. 19 . 3725 . 1 1 12 CYS HA H -1.329 -9.528 -1.239 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HA . . . . . . . . . rr_6pqf 1
. 19 . 3726 . 1 1 12 CYS HB2 H -3.117 -11.048 -0.062 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB2 . . . . . . . . . rr_6pqf 1
. 19 . 3727 . 1 1 12 CYS HB3 H -2.279 -10.561 1.408 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB3 . . . . . . . . . rr_6pqf 1
. 19 . 3728 . 1 1 12 CYS N N -0.801 -11.495 -0.906 . . . 1.0 . . . . . . . . . . . . A . 12 CYS N . . . . . . . . . rr_6pqf 1
. 19 . 3729 . 1 1 12 CYS O O -0.324 -9.314 1.671 . . . 1.0 . . . . . . . . . . . . A . 12 CYS O . . . . . . . . . rr_6pqf 1
. 19 . 3730 . 1 1 12 CYS SG S -3.461 -8.740 0.422 . . . 1.0 . . . . . . . . . . . . A . 12 CYS SG . . . . . . . . . rr_6pqf 1
. 19 . 3731 . 1 1 13 ALA C C 2.864 -7.731 -0.066 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . rr_6pqf 1
. 19 . 3732 . 1 1 13 ALA CA C 2.230 -8.901 0.678 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . rr_6pqf 1
. 19 . 3733 . 1 1 13 ALA CB C 3.264 -9.986 0.938 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . rr_6pqf 1
. 19 . 3734 . 1 1 13 ALA H H 1.224 -9.698 -1.004 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . rr_6pqf 1
. 19 . 3735 . 1 1 13 ALA HA H 1.864 -8.551 1.633 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . rr_6pqf 1
. 19 . 3736 . 1 1 13 ALA HB1 H 3.879 -10.115 0.059 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . rr_6pqf 1
. 19 . 3737 . 1 1 13 ALA HB2 H 3.885 -9.699 1.774 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . rr_6pqf 1
. 19 . 3738 . 1 1 13 ALA HB3 H 2.762 -10.915 1.165 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . rr_6pqf 1
. 19 . 3739 . 1 1 13 ALA N N 1.101 -9.446 -0.065 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . rr_6pqf 1
. 19 . 3740 . 1 1 13 ALA O O 3.316 -6.777 0.567 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . rr_6pqf 1
. 19 . 3741 . 1 1 14 ALA C C 3.066 -7.160 -3.743 . . . 1.0 . . . . . . . . . . . . A . 14 ALA C . . . . . . . . . rr_6pqf 1
. 19 . 3742 . 1 1 14 ALA CA C 3.451 -6.795 -2.241 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CA . . . . . . . . . rr_6pqf 1
. 19 . 3743 . 1 1 14 ALA CB C 4.928 -6.684 -2.141 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CB . . . . . . . . . rr_6pqf 1
. 19 . 3744 . 1 1 14 ALA H H 2.504 -8.622 -1.798 . . . 1.0 . . . . . . . . . . . . A . 14 ALA H . . . . . . . . . rr_6pqf 1
. 19 . 3745 . 1 1 14 ALA HA H 2.954 -5.863 -2.052 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HA . . . . . . . . . rr_6pqf 1
. 19 . 3746 . 1 1 14 ALA HB1 H 5.315 -7.466 -1.505 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB1 . . . . . . . . . rr_6pqf 1
. 19 . 3747 . 1 1 14 ALA HB2 H 5.321 -6.812 -3.139 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB2 . . . . . . . . . rr_6pqf 1
. 19 . 3748 . 1 1 14 ALA N N 2.889 -7.822 -1.382 . . . 1.0 . . . . . . . . . . . . A . 14 ALA N . . . . . . . . . rr_6pqf 1
. 19 . 3749 . 1 1 14 ALA O O 2.740 -6.282 -4.542 . . . 1.0 . . . . . . . . . . . . A . 14 ALA O . . . . . . . . . rr_6pqf 1
. 19 . 3750 . 1 1 15 SER C C 1.342 -8.811 -5.707 . . . 1.0 . . . . . . . . . . . . A . 15 SER C . . . . . . . . . rr_6pqf 1
. 19 . 3751 . 1 1 15 SER CA C 2.837 -8.909 -5.421 . . . 1.0 . . . . . . . . . . . . A . 15 SER CA . . . . . . . . . rr_6pqf 1
. 19 . 3752 . 1 1 15 SER CB C 3.310 -10.352 -5.605 . . . 1.0 . . . . . . . . . . . . A . 15 SER CB . . . . . . . . . rr_6pqf 1
. 19 . 3753 . 1 1 15 SER H H 3.405 -9.098 -3.390 . . . 1.0 . . . . . . . . . . . . A . 15 SER H . . . . . . . . . rr_6pqf 1
. 19 . 3754 . 1 1 15 SER HA H 3.367 -8.274 -6.115 . . . 1.0 . . . . . . . . . . . . A . 15 SER HA . . . . . . . . . rr_6pqf 1
. 19 . 3755 . 1 1 15 SER HB2 H 3.082 -10.919 -4.715 . . . 1.0 . . . . . . . . . . . . A . 15 SER HB2 . . . . . . . . . rr_6pqf 1
. 19 . 3756 . 1 1 15 SER HB3 H 2.800 -10.790 -6.451 . . . 1.0 . . . . . . . . . . . . A . 15 SER HB3 . . . . . . . . . rr_6pqf 1
. 19 . 3757 . 1 1 15 SER HG H 4.875 -10.801 -6.694 . . . 1.0 . . . . . . . . . . . . A . 15 SER HG . . . . . . . . . rr_6pqf 1
. 19 . 3758 . 1 1 15 SER N N 3.139 -8.446 -4.071 . . . 1.0 . . . . . . . . . . . . A . 15 SER N . . . . . . . . . rr_6pqf 1
. 19 . 3759 . 1 1 15 SER O O 0.899 -7.953 -6.470 . . . 1.0 . . . . . . . . . . . . A . 15 SER O . . . . . . . . . rr_6pqf 1
. 19 . 3760 . 1 1 15 SER OG O 4.707 -10.406 -5.836 . . . 1.0 . . . . . . . . . . . . A . 15 SER OG . . . . . . . . . rr_6pqf 1
. 19 . 3761 . 1 1 16 CYS C C -1.541 -8.590 -4.485 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . rr_6pqf 1
. 19 . 3762 . 1 1 16 CYS CA C -0.877 -9.714 -5.276 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . rr_6pqf 1
. 19 . 3763 . 1 1 16 CYS CB C -1.453 -11.064 -4.846 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . rr_6pqf 1
. 19 . 3764 . 1 1 16 CYS H H 0.980 -10.358 -4.492 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . rr_6pqf 1
. 19 . 3765 . 1 1 16 CYS HA H -1.078 -9.564 -6.326 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . rr_6pqf 1
. 19 . 3766 . 1 1 16 CYS HB2 H -1.485 -11.106 -3.767 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . rr_6pqf 1
. 19 . 3767 . 1 1 16 CYS HB3 H -2.456 -11.159 -5.235 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . rr_6pqf 1
. 19 . 3768 . 1 1 16 CYS N N 0.568 -9.698 -5.089 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . rr_6pqf 1
. 19 . 3769 . 1 1 16 CYS O O -0.948 -8.035 -3.560 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . rr_6pqf 1
. 19 . 3770 . 1 1 16 CYS SG S -0.494 -12.500 -5.426 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . rr_6pqf 1
. 19 . 3771 . 1 1 17 ALA C C -4.510 -7.790 -3.177 . . . 1.0 . . . . . . . . . . . . A . 17 ALA C . . . . . . . . . rr_6pqf 1
. 19 . 3772 . 1 1 17 ALA CA C -3.519 -7.207 -4.179 . . . 1.0 . . . . . . . . . . . . A . 17 ALA CA . . . . . . . . . rr_6pqf 1
. 19 . 3773 . 1 1 17 ALA CB C -4.243 -6.337 -5.196 . . . 1.0 . . . . . . . . . . . . A . 17 ALA CB . . . . . . . . . rr_6pqf 1
. 19 . 3774 . 1 1 17 ALA H H -3.193 -8.741 -5.599 . . . 1.0 . . . . . . . . . . . . A . 17 ALA H . . . . . . . . . rr_6pqf 1
. 19 . 3775 . 1 1 17 ALA HA H -2.811 -6.585 -3.649 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HA . . . . . . . . . rr_6pqf 1
. 19 . 3776 . 1 1 17 ALA HB1 H -3.638 -6.246 -6.086 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB1 . . . . . . . . . rr_6pqf 1
. 19 . 3777 . 1 1 17 ALA HB2 H -5.190 -6.791 -5.448 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB2 . . . . . . . . . rr_6pqf 1
. 19 . 3778 . 1 1 17 ALA HB3 H -4.414 -5.358 -4.775 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB3 . . . . . . . . . rr_6pqf 1
. 19 . 3779 . 1 1 17 ALA N N -2.774 -8.262 -4.855 . . . 1.0 . . . . . . . . . . . . A . 17 ALA N . . . . . . . . . rr_6pqf 1
. 19 . 3780 . 1 1 17 ALA O O -5.285 -7.044 -2.580 . . . 1.0 . . . . . . . . . . . . A . 17 ALA O . . . . . . . . . rr_6pqf 1
. 19 . 3781 . 1 1 18 ALA C C -6.841 -9.383 -2.425 . . . 1.0 . . . . . . . . . . . . A . 18 ALA C . . . . . . . . . rr_6pqf 1
. 19 . 3782 . 1 1 18 ALA CA C -5.342 -9.812 -2.097 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CA . . . . . . . . . rr_6pqf 1
. 19 . 3783 . 1 1 18 ALA CB C -5.065 -9.520 -0.668 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CB . . . . . . . . . rr_6pqf 1
. 19 . 3784 . 1 1 18 ALA H H -3.818 -9.611 -3.535 . . . 1.0 . . . . . . . . . . . . A . 18 ALA H . . . . . . . . . rr_6pqf 1
. 19 . 3785 . 1 1 18 ALA HA H -5.307 -10.862 -2.318 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HA . . . . . . . . . rr_6pqf 1
. 19 . 3786 . 1 1 18 ALA HB1 H -5.811 -8.843 -0.278 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB1 . . . . . . . . . rr_6pqf 1
. 19 . 3787 . 1 1 18 ALA HB2 H -5.126 -10.459 -0.138 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB2 . . . . . . . . . rr_6pqf 1
. 19 . 3788 . 1 1 18 ALA N N -4.471 -9.099 -3.013 . . . 1.0 . . . . . . . . . . . . A . 18 ALA N . . . . . . . . . rr_6pqf 1
. 19 . 3789 . 1 1 18 ALA O O -7.350 -8.403 -1.882 . . . 1.0 . . . . . . . . . . . . A . 18 ALA O . . . . . . . . . rr_6pqf 1
. 19 . 3790 . 1 1 19 SER C C -9.782 -9.802 -2.524 . . . 1.0 . . . . . . . . . . . . A . 19 SER C . . . . . . . . . rr_6pqf 1
. 19 . 3791 . 1 1 19 SER CA C -8.848 -9.825 -3.730 . . . 1.0 . . . . . . . . . . . . A . 19 SER CA . . . . . . . . . rr_6pqf 1
. 19 . 3792 . 1 1 19 SER CB C -9.338 -10.856 -4.749 . . . 1.0 . . . . . . . . . . . . A . 19 SER CB . . . . . . . . . rr_6pqf 1
. 19 . 3793 . 1 1 19 SER H H -7.021 -10.896 -3.720 . . . 1.0 . . . . . . . . . . . . A . 19 SER H . . . . . . . . . rr_6pqf 1
. 19 . 3794 . 1 1 19 SER HA H -8.848 -8.848 -4.190 . . . 1.0 . . . . . . . . . . . . A . 19 SER HA . . . . . . . . . rr_6pqf 1
. 19 . 3795 . 1 1 19 SER HB2 H -10.398 -10.730 -4.904 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB2 . . . . . . . . . rr_6pqf 1
. 19 . 3796 . 1 1 19 SER HB3 H -8.817 -10.709 -5.684 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB3 . . . . . . . . . rr_6pqf 1
. 19 . 3797 . 1 1 19 SER HG H -9.449 -12.804 -4.930 . . . 1.0 . . . . . . . . . . . . A . 19 SER HG . . . . . . . . . rr_6pqf 1
. 19 . 3798 . 1 1 19 SER N N -7.481 -10.127 -3.322 . . . 1.0 . . . . . . . . . . . . A . 19 SER N . . . . . . . . . rr_6pqf 1
. 19 . 3799 . 1 1 19 SER O O -10.383 -10.815 -2.172 . . . 1.0 . . . . . . . . . . . . A . 19 SER O . . . . . . . . . rr_6pqf 1
. 19 . 3800 . 1 1 19 SER OG O -9.097 -12.177 -4.295 . . . 1.0 . . . . . . . . . . . . A . 19 SER OG . . . . . . . . . rr_6pqf 1
. 20 . 3801 . 1 1 1 ALA C C 3.059 -0.930 -2.459 . . . 1.0 . . . . . . . . . . . . A . 1 ALA C . . . . . . . . . rr_6pqf 1
. 20 . 3802 . 1 1 1 ALA CA C 2.596 0.513 -2.287 . . . 1.0 . . . . . . . . . . . . A . 1 ALA CA . . . . . . . . . rr_6pqf 1
. 20 . 3803 . 1 1 1 ALA CB C 2.290 0.800 -0.824 . . . 1.0 . . . . . . . . . . . . A . 1 ALA CB . . . . . . . . . rr_6pqf 1
. 20 . 3804 . 1 1 1 ALA H1 H 0.649 1.227 -2.707 . . . 1.0 . . . . . . . . . . . . A . 1 ALA H1 . . . . . . . . . rr_6pqf 1
. 20 . 3805 . 1 1 1 ALA HA H 3.391 1.175 -2.599 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HA . . . . . . . . . rr_6pqf 1
. 20 . 3806 . 1 1 1 ALA HB1 H 3.158 1.239 -0.355 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB1 . . . . . . . . . rr_6pqf 1
. 20 . 3807 . 1 1 1 ALA HB2 H 1.459 1.486 -0.759 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB2 . . . . . . . . . rr_6pqf 1
. 20 . 3808 . 1 1 1 ALA HB3 H 2.036 -0.122 -0.322 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB3 . . . . . . . . . rr_6pqf 1
. 20 . 3809 . 1 1 1 ALA N N 1.427 0.791 -3.112 . . . 1.0 . . . . . . . . . . . . A . 1 ALA N . . . . . . . . . rr_6pqf 1
. 20 . 3810 . 1 1 1 ALA O O 2.271 -1.808 -2.810 . . . 1.0 . . . . . . . . . . . . A . 1 ALA O . . . . . . . . . rr_6pqf 1
. 20 . 3811 . 1 1 2 CYS C C 4.791 -3.011 -3.773 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_6pqf 1
. 20 . 3812 . 1 1 2 CYS CA C 4.912 -2.504 -2.339 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_6pqf 1
. 20 . 3813 . 1 1 2 CYS CB C 4.214 -3.473 -1.382 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_6pqf 1
. 20 . 3814 . 1 1 2 CYS H H 4.922 -0.426 -1.933 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_6pqf 1
. 20 . 3815 . 1 1 2 CYS HA H 5.958 -2.445 -2.078 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_6pqf 1
. 20 . 3816 . 1 1 2 CYS HB2 H 3.812 -2.916 -0.548 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_6pqf 1
. 20 . 3817 . 1 1 2 CYS HB3 H 3.406 -3.962 -1.905 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_6pqf 1
. 20 . 3818 . 1 1 2 CYS N N 4.343 -1.168 -2.210 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_6pqf 1
. 20 . 3819 . 1 1 2 CYS O O 4.541 -4.193 -4.005 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_6pqf 1
. 20 . 3820 . 1 1 2 CYS SG S 5.304 -4.767 -0.708 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_6pqf 1
. 20 . 3821 . 1 1 3 GLY C C 6.157 -3.109 -6.649 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_6pqf 1
. 20 . 3822 . 1 1 3 GLY CA C 4.878 -2.482 -6.131 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_6pqf 1
. 20 . 3823 . 1 1 3 GLY H H 5.168 -1.179 -4.487 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_6pqf 1
. 20 . 3824 . 1 1 3 GLY HA2 H 4.069 -3.187 -6.250 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_6pqf 1
. 20 . 3825 . 1 1 3 GLY HA3 H 4.662 -1.599 -6.714 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_6pqf 1
. 20 . 3826 . 1 1 3 GLY N N 4.971 -2.108 -4.732 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_6pqf 1
. 20 . 3827 . 1 1 3 GLY O O 6.758 -2.632 -7.612 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_6pqf 1
. 20 . 3828 . 1 1 4 . C C 9.077 -4.262 -5.796 . . . 1.0 . . . . . . . . . . . . A . 4 DBB C . . . . . . . . . rr_6pqf 1
. 20 . 3829 . 1 1 4 . CA C 7.807 -4.835 -6.449 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CA . . . . . . . . . rr_6pqf 1
. 20 . 3830 . 1 1 4 . CB C 7.669 -6.349 -6.192 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CB . . . . . . . . . rr_6pqf 1
. 20 . 3831 . 1 1 4 . CG C 8.833 -7.084 -6.836 . . . 1.0 . . . . . . . . . . . . A . 4 DBB CG . . . . . . . . . rr_6pqf 1
. 20 . 3832 . 1 1 4 . H H 6.077 -4.538 -5.246 . . . 1.0 . . . . . . . . . . . . A . 4 DBB H . . . . . . . . . rr_6pqf 1
. 20 . 3833 . 1 1 4 . HA H 7.885 -4.697 -7.509 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HA . . . . . . . . . rr_6pqf 1
. 20 . 3834 . 1 1 4 . HB2 H 6.783 -6.647 -6.712 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HB2 . . . . . . . . . rr_6pqf 1
. 20 . 3835 . 1 1 4 . HG1 H 9.729 -6.883 -6.269 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG1 . . . . . . . . . rr_6pqf 1
. 20 . 3836 . 1 1 4 . HG2 H 8.962 -6.738 -7.851 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG2 . . . . . . . . . rr_6pqf 1
. 20 . 3837 . 1 1 4 . HG3 H 8.635 -8.144 -6.835 . . . 1.0 . . . . . . . . . . . . A . 4 DBB HG3 . . . . . . . . . rr_6pqf 1
. 20 . 3838 . 1 1 4 . N N 6.583 -4.184 -6.012 . . . 1.0 . . . . . . . . . . . . A . 4 DBB N . . . . . . . . . rr_6pqf 1
. 20 . 3839 . 1 1 4 . O O 8.989 -3.778 -4.668 . . . 1.0 . . . . . . . . . . . . A . 4 DBB O . . . . . . . . . rr_6pqf 1
. 20 . 3840 . 1 1 5 GLY C C 12.545 -4.944 -5.843 . . . 1.0 . . . . . . . . . . . . A . 5 GLY C . . . . . . . . . rr_6pqf 1
. 20 . 3841 . 1 1 5 GLY CA C 11.464 -3.881 -5.861 . . . 1.0 . . . . . . . . . . . . A . 5 GLY CA . . . . . . . . . rr_6pqf 1
. 20 . 3842 . 1 1 5 GLY H H 10.238 -4.751 -7.352 . . . 1.0 . . . . . . . . . . . . A . 5 GLY H . . . . . . . . . rr_6pqf 1
. 20 . 3843 . 1 1 5 GLY HA2 H 11.819 -3.031 -6.424 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA2 . . . . . . . . . rr_6pqf 1
. 20 . 3844 . 1 1 5 GLY HA3 H 11.266 -3.570 -4.846 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA3 . . . . . . . . . rr_6pqf 1
. 20 . 3845 . 1 1 5 GLY N N 10.228 -4.356 -6.455 . . . 1.0 . . . . . . . . . . . . A . 5 GLY N . . . . . . . . . rr_6pqf 1
. 20 . 3846 . 1 1 5 GLY O O 13.095 -5.368 -6.856 . . . 1.0 . . . . . . . . . . . . A . 5 GLY O . . . . . . . . . rr_6pqf 1
. 20 . 3847 . 1 1 6 . C C 13.198 -7.885 -4.621 . . . 1.0 . . . . . . . . . . . . A . 6 IAS C . . . . . . . . . rr_6pqf 1
. 20 . 3848 . 1 1 6 . CA C 13.843 -6.514 -4.523 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CA . . . . . . . . . rr_6pqf 1
. 20 . 3849 . 1 1 6 . CB C 14.730 -6.420 -3.268 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CB . . . . . . . . . rr_6pqf 1
. 20 . 3850 . 1 1 6 . CG C 13.937 -6.288 -1.975 . . . 1.0 . . . . . . . . . . . . A . 6 IAS CG . . . . . . . . . rr_6pqf 1
. 20 . 3851 . 1 1 6 . H H 12.453 -5.085 -3.808 . . . 1.0 . . . . . . . . . . . . A . 6 IAS H . . . . . . . . . rr_6pqf 1
. 20 . 3852 . 1 1 6 . HA H 14.482 -6.473 -5.397 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HA . . . . . . . . . rr_6pqf 1
. 20 . 3853 . 1 1 6 . HB2 H 15.327 -5.523 -3.346 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HB2 . . . . . . . . . rr_6pqf 1
. 20 . 3854 . 1 1 6 . HB3 H 15.379 -7.282 -3.234 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HB3 . . . . . . . . . rr_6pqf 1
. 20 . 3855 . 1 1 6 . HXT H 12.072 -8.868 -5.843 . . . 1.0 . . . . . . . . . . . . A . 6 IAS HXT . . . . . . . . . rr_6pqf 1
. 20 . 3856 . 1 1 6 . N N 12.892 -5.421 -4.636 . . . 1.0 . . . . . . . . . . . . A . 6 IAS N . . . . . . . . . rr_6pqf 1
. 20 . 3857 . 1 1 6 . O O 13.498 -8.831 -3.938 . . . 1.0 . . . . . . . . . . . . A . 6 IAS O . . . . . . . . . rr_6pqf 1
. 20 . 3858 . 1 1 6 . OD1 O 13.952 -5.252 -1.311 . . . 1.0 . . . . . . . . . . . . A . 6 IAS OD1 . . . . . . . . . rr_6pqf 1
. 20 . 3859 . 1 1 6 . OXT O 12.341 -7.957 -5.650 . . . 1.0 . . . . . . . . . . . . A . 6 IAS OXT . . . . . . . . . rr_6pqf 1
. 20 . 3860 . 1 1 7 GLY C C 10.979 -7.616 -0.669 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . rr_6pqf 1
. 20 . 3861 . 1 1 7 GLY CA C 12.450 -7.367 -0.402 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . rr_6pqf 1
. 20 . 3862 . 1 1 7 GLY H H 13.266 -8.162 -2.187 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . rr_6pqf 1
. 20 . 3863 . 1 1 7 GLY HA2 H 12.822 -8.139 0.254 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . rr_6pqf 1
. 20 . 3864 . 1 1 7 GLY HA3 H 12.558 -6.410 0.086 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . rr_6pqf 1
. 20 . 3865 . 1 1 7 GLY N N 13.241 -7.364 -1.619 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . rr_6pqf 1
. 20 . 3866 . 1 1 7 GLY O O 10.267 -8.147 0.185 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . rr_6pqf 1
. 20 . 3867 . 1 1 8 CYS C C 8.725 -8.885 -2.148 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . rr_6pqf 1
. 20 . 3868 . 1 1 8 CYS CA C 9.124 -7.414 -2.232 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . rr_6pqf 1
. 20 . 3869 . 1 1 8 CYS CB C 8.883 -6.889 -3.649 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . rr_6pqf 1
. 20 . 3870 . 1 1 8 CYS H H 11.137 -6.815 -2.494 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . rr_6pqf 1
. 20 . 3871 . 1 1 8 CYS HA H 8.517 -6.850 -1.540 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . rr_6pqf 1
. 20 . 3872 . 1 1 8 CYS HB2 H 9.218 -5.864 -3.706 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . rr_6pqf 1
. 20 . 3873 . 1 1 8 CYS HB3 H 9.450 -7.487 -4.347 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . rr_6pqf 1
. 20 . 3874 . 1 1 8 CYS N N 10.520 -7.232 -1.855 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . rr_6pqf 1
. 20 . 3875 . 1 1 8 CYS O O 9.282 -9.730 -2.848 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . rr_6pqf 1
. 20 . 3876 . 1 1 8 CYS SG S 7.138 -6.930 -4.170 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . rr_6pqf 1
. 20 . 3877 . 1 1 9 ALA C C 6.347 -10.953 -2.246 . . . 1.0 . . . . . . . . . . . . A . 9 ALA C . . . . . . . . . rr_6pqf 1
. 20 . 3878 . 1 1 9 ALA CA C 7.283 -10.549 -1.113 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CA . . . . . . . . . rr_6pqf 1
. 20 . 3879 . 1 1 9 ALA CB C 6.584 -10.698 0.230 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CB . . . . . . . . . rr_6pqf 1
. 20 . 3880 . 1 1 9 ALA H H 7.353 -8.464 -0.757 . . . 1.0 . . . . . . . . . . . . A . 9 ALA H . . . . . . . . . rr_6pqf 1
. 20 . 3881 . 1 1 9 ALA HA H 8.142 -11.204 -1.118 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HA . . . . . . . . . rr_6pqf 1
. 20 . 3882 . 1 1 9 ALA HB1 H 5.997 -9.813 0.430 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB1 . . . . . . . . . rr_6pqf 1
. 20 . 3883 . 1 1 9 ALA HB2 H 5.936 -11.562 0.205 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB2 . . . . . . . . . rr_6pqf 1
. 20 . 3884 . 1 1 9 ALA HB3 H 7.322 -10.823 1.008 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB3 . . . . . . . . . rr_6pqf 1
. 20 . 3885 . 1 1 9 ALA N N 7.758 -9.182 -1.287 . . . 1.0 . . . . . . . . . . . . A . 9 ALA N . . . . . . . . . rr_6pqf 1
. 20 . 3886 . 1 1 9 ALA O O 6.125 -10.189 -3.186 . . . 1.0 . . . . . . . . . . . . A . 9 ALA O . . . . . . . . . rr_6pqf 1
. 20 . 3887 . 1 1 10 LYS C C 3.482 -12.844 -2.601 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_6pqf 1
. 20 . 3888 . 1 1 10 LYS CA C 4.886 -12.668 -3.170 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_6pqf 1
. 20 . 3889 . 1 1 10 LYS CB C 5.395 -14.000 -3.724 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_6pqf 1
. 20 . 3890 . 1 1 10 LYS CD C 5.946 -13.608 -6.143 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_6pqf 1
. 20 . 3891 . 1 1 10 LYS CE C 5.700 -14.917 -6.879 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_6pqf 1
. 20 . 3892 . 1 1 10 LYS CG C 6.504 -13.849 -4.750 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_6pqf 1
. 20 . 3893 . 1 1 10 LYS H H 6.015 -12.724 -1.380 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_6pqf 1
. 20 . 3894 . 1 1 10 LYS HA H 4.848 -11.946 -3.972 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_6pqf 1
. 20 . 3895 . 1 1 10 LYS HB2 H 5.769 -14.597 -2.905 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_6pqf 1
. 20 . 3896 . 1 1 10 LYS HB3 H 4.571 -14.521 -4.189 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_6pqf 1
. 20 . 3897 . 1 1 10 LYS HD2 H 5.011 -13.074 -6.059 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_6pqf 1
. 20 . 3898 . 1 1 10 LYS HD3 H 6.652 -13.015 -6.707 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_6pqf 1
. 20 . 3899 . 1 1 10 LYS HE2 H 6.603 -15.506 -6.850 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_6pqf 1
. 20 . 3900 . 1 1 10 LYS HE3 H 4.905 -15.451 -6.379 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_6pqf 1
. 20 . 3901 . 1 1 10 LYS HG2 H 7.126 -13.011 -4.474 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_6pqf 1
. 20 . 3902 . 1 1 10 LYS HG3 H 7.097 -14.752 -4.761 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_6pqf 1
. 20 . 3903 . 1 1 10 LYS HZ1 H 4.316 -14.948 -8.443 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . rr_6pqf 1
. 20 . 3904 . 1 1 10 LYS HZ2 H 5.904 -15.272 -8.927 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . rr_6pqf 1
. 20 . 3905 . 1 1 10 LYS HZ3 H 5.442 -13.689 -8.549 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_6pqf 1
. 20 . 3906 . 1 1 10 LYS N N 5.799 -12.161 -2.153 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_6pqf 1
. 20 . 3907 . 1 1 10 LYS NZ N 5.314 -14.690 -8.299 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_6pqf 1
. 20 . 3908 . 1 1 10 LYS O O 3.245 -12.654 -1.408 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_6pqf 1
. 20 . 3909 . 1 1 11 . C C 0.604 -12.163 -2.273 . . . 1.0 . . . . . . . . . . . . A . 11 DBB C . . . . . . . . . rr_6pqf 1
. 20 . 3910 . 1 1 11 . CA C 1.183 -13.395 -2.990 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CA . . . . . . . . . rr_6pqf 1
. 20 . 3911 . 1 1 11 . CB C 0.312 -13.816 -4.192 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CB . . . . . . . . . rr_6pqf 1
. 20 . 3912 . 1 1 11 . CG C -1.066 -14.230 -3.703 . . . 1.0 . . . . . . . . . . . . A . 11 DBB CG . . . . . . . . . rr_6pqf 1
. 20 . 3913 . 1 1 11 . H H 2.773 -13.353 -4.405 . . . 1.0 . . . . . . . . . . . . A . 11 DBB H . . . . . . . . . rr_6pqf 1
. 20 . 3914 . 1 1 11 . HA H 1.187 -14.214 -2.298 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HA . . . . . . . . . rr_6pqf 1
. 20 . 3915 . 1 1 11 . HB2 H 0.781 -14.689 -4.591 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HB2 . . . . . . . . . rr_6pqf 1
. 20 . 3916 . 1 1 11 . HG1 H -1.572 -14.759 -4.495 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG1 . . . . . . . . . rr_6pqf 1
. 20 . 3917 . 1 1 11 . HG2 H -1.633 -13.351 -3.434 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG2 . . . . . . . . . rr_6pqf 1
. 20 . 3918 . 1 1 11 . HG3 H -0.964 -14.875 -2.845 . . . 1.0 . . . . . . . . . . . . A . 11 DBB HG3 . . . . . . . . . rr_6pqf 1
. 20 . 3919 . 1 1 11 . N N 2.548 -13.210 -3.457 . . . 1.0 . . . . . . . . . . . . A . 11 DBB N . . . . . . . . . rr_6pqf 1
. 20 . 3920 . 1 1 11 . O O 0.906 -11.045 -2.692 . . . 1.0 . . . . . . . . . . . . A . 11 DBB O . . . . . . . . . rr_6pqf 1
. 20 . 3921 . 1 1 12 CYS C C 0.110 -10.571 0.394 . . . 1.0 . . . . . . . . . . . . A . 12 CYS C . . . . . . . . . rr_6pqf 1
. 20 . 3922 . 1 1 12 CYS CA C -0.867 -11.235 -0.571 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CA . . . . . . . . . rr_6pqf 1
. 20 . 3923 . 1 1 12 CYS CB C -2.106 -11.712 0.189 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CB . . . . . . . . . rr_6pqf 1
. 20 . 3924 . 1 1 12 CYS H H -0.438 -13.268 -0.974 . . . 1.0 . . . . . . . . . . . . A . 12 CYS H . . . . . . . . . rr_6pqf 1
. 20 . 3925 . 1 1 12 CYS HA H -1.168 -10.512 -1.314 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HA . . . . . . . . . rr_6pqf 1
. 20 . 3926 . 1 1 12 CYS HB2 H -1.810 -12.456 0.915 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB2 . . . . . . . . . rr_6pqf 1
. 20 . 3927 . 1 1 12 CYS HB3 H -2.549 -10.873 0.704 . . . 1.0 . . . . . . . . . . . . A . 12 CYS HB3 . . . . . . . . . rr_6pqf 1
. 20 . 3928 . 1 1 12 CYS N N -0.236 -12.353 -1.262 . . . 1.0 . . . . . . . . . . . . A . 12 CYS N . . . . . . . . . rr_6pqf 1
. 20 . 3929 . 1 1 12 CYS O O -0.138 -10.504 1.598 . . . 1.0 . . . . . . . . . . . . A . 12 CYS O . . . . . . . . . rr_6pqf 1
. 20 . 3930 . 1 1 12 CYS SG S -3.389 -12.454 -0.870 . . . 1.0 . . . . . . . . . . . . A . 12 CYS SG . . . . . . . . . rr_6pqf 1
. 20 . 3931 . 1 1 13 ALA C C 2.612 -8.063 0.081 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . rr_6pqf 1
. 20 . 3932 . 1 1 13 ALA CA C 2.236 -9.420 0.669 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . rr_6pqf 1
. 20 . 3933 . 1 1 13 ALA CB C 3.469 -10.302 0.795 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . rr_6pqf 1
. 20 . 3934 . 1 1 13 ALA H H 1.364 -10.165 -1.109 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . rr_6pqf 1
. 20 . 3935 . 1 1 13 ALA HA H 1.827 -9.271 1.658 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . rr_6pqf 1
. 20 . 3936 . 1 1 13 ALA HB1 H 3.912 -10.443 -0.181 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . rr_6pqf 1
. 20 . 3937 . 1 1 13 ALA HB2 H 4.185 -9.829 1.451 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . rr_6pqf 1
. 20 . 3938 . 1 1 13 ALA HB3 H 3.186 -11.260 1.203 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . rr_6pqf 1
. 20 . 3939 . 1 1 13 ALA N N 1.223 -10.081 -0.143 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . rr_6pqf 1
. 20 . 3940 . 1 1 13 ALA O O 2.869 -7.123 0.831 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . rr_6pqf 1
. 20 . 3941 . 1 1 14 ALA C C 2.751 -7.053 -3.508 . . . 1.0 . . . . . . . . . . . . A . 14 ALA C . . . . . . . . . rr_6pqf 1
. 20 . 3942 . 1 1 14 ALA CA C 2.971 -6.770 -1.955 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CA . . . . . . . . . rr_6pqf 1
. 20 . 3943 . 1 1 14 ALA CB C 4.371 -6.323 -1.747 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CB . . . . . . . . . rr_6pqf 1
. 20 . 3944 . 1 1 14 ALA H H 2.418 -8.790 -1.751 . . . 1.0 . . . . . . . . . . . . A . 14 ALA H . . . . . . . . . rr_6pqf 1
. 20 . 3945 . 1 1 14 ALA HA H 2.254 -6.007 -1.715 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HA . . . . . . . . . rr_6pqf 1
. 20 . 3946 . 1 1 14 ALA HB1 H 4.954 -7.123 -1.315 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB1 . . . . . . . . . rr_6pqf 1
. 20 . 3947 . 1 1 14 ALA HB2 H 4.771 -6.077 -2.719 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB2 . . . . . . . . . rr_6pqf 1
. 20 . 3948 . 1 1 14 ALA N N 2.638 -7.986 -1.236 . . . 1.0 . . . . . . . . . . . . A . 14 ALA N . . . . . . . . . rr_6pqf 1
. 20 . 3949 . 1 1 14 ALA O O 2.195 -6.224 -4.228 . . . 1.0 . . . . . . . . . . . . A . 14 ALA O . . . . . . . . . rr_6pqf 1
. 20 . 3950 . 1 1 15 SER C C 1.640 -8.720 -5.778 . . . 1.0 . . . . . . . . . . . . A . 15 SER C . . . . . . . . . rr_6pqf 1
. 20 . 3951 . 1 1 15 SER CA C 3.103 -8.581 -5.370 . . . 1.0 . . . . . . . . . . . . A . 15 SER CA . . . . . . . . . rr_6pqf 1
. 20 . 3952 . 1 1 15 SER CB C 3.846 -9.892 -5.636 . . . 1.0 . . . . . . . . . . . . A . 15 SER CB . . . . . . . . . rr_6pqf 1
. 20 . 3953 . 1 1 15 SER H H 3.651 -8.831 -3.340 . . . 1.0 . . . . . . . . . . . . A . 15 SER H . . . . . . . . . rr_6pqf 1
. 20 . 3954 . 1 1 15 SER HA H 3.555 -7.795 -5.957 . . . 1.0 . . . . . . . . . . . . A . 15 SER HA . . . . . . . . . rr_6pqf 1
. 20 . 3955 . 1 1 15 SER HB2 H 4.906 -9.735 -5.504 . . . 1.0 . . . . . . . . . . . . A . 15 SER HB2 . . . . . . . . . rr_6pqf 1
. 20 . 3956 . 1 1 15 SER HB3 H 3.503 -10.644 -4.940 . . . 1.0 . . . . . . . . . . . . A . 15 SER HB3 . . . . . . . . . rr_6pqf 1
. 20 . 3957 . 1 1 15 SER HG H 4.421 -10.728 -7.312 . . . 1.0 . . . . . . . . . . . . A . 15 SER HG . . . . . . . . . rr_6pqf 1
. 20 . 3958 . 1 1 15 SER N N 3.218 -8.211 -3.964 . . . 1.0 . . . . . . . . . . . . A . 15 SER N . . . . . . . . . rr_6pqf 1
. 20 . 3959 . 1 1 15 SER O O 1.153 -7.994 -6.644 . . . 1.0 . . . . . . . . . . . . A . 15 SER O . . . . . . . . . rr_6pqf 1
. 20 . 3960 . 1 1 15 SER OG O 3.613 -10.351 -6.957 . . . 1.0 . . . . . . . . . . . . A . 15 SER OG . . . . . . . . . rr_6pqf 1
. 20 . 3961 . 1 1 16 CYS C C -1.359 -9.025 -4.565 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . rr_6pqf 1
. 20 . 3962 . 1 1 16 CYS CA C -0.465 -9.897 -5.442 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . rr_6pqf 1
. 20 . 3963 . 1 1 16 CYS CB C -0.810 -11.372 -5.233 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . rr_6pqf 1
. 20 . 3964 . 1 1 16 CYS H H 1.387 -10.207 -4.464 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . rr_6pqf 1
. 20 . 3965 . 1 1 16 CYS HA H -0.635 -9.639 -6.476 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . rr_6pqf 1
. 20 . 3966 . 1 1 16 CYS HB2 H -0.880 -11.571 -4.173 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . rr_6pqf 1
. 20 . 3967 . 1 1 16 CYS HB3 H -1.762 -11.581 -5.697 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . rr_6pqf 1
. 20 . 3968 . 1 1 16 CYS N N 0.943 -9.659 -5.146 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . rr_6pqf 1
. 20 . 3969 . 1 1 16 CYS O O -1.150 -8.922 -3.357 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . rr_6pqf 1
. 20 . 3970 . 1 1 16 CYS SG S 0.413 -12.528 -5.932 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . rr_6pqf 1
. 20 . 3971 . 1 1 17 ALA C C -3.858 -8.253 -3.241 . . . 1.0 . . . . . . . . . . . . A . 17 ALA C . . . . . . . . . rr_6pqf 1
. 20 . 3972 . 1 1 17 ALA CA C -3.283 -7.539 -4.460 . . . 1.0 . . . . . . . . . . . . A . 17 ALA CA . . . . . . . . . rr_6pqf 1
. 20 . 3973 . 1 1 17 ALA CB C -4.403 -7.078 -5.380 . . . 1.0 . . . . . . . . . . . . A . 17 ALA CB . . . . . . . . . rr_6pqf 1
. 20 . 3974 . 1 1 17 ALA H H -2.471 -8.522 -6.149 . . . 1.0 . . . . . . . . . . . . A . 17 ALA H . . . . . . . . . rr_6pqf 1
. 20 . 3975 . 1 1 17 ALA HA H -2.739 -6.666 -4.129 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HA . . . . . . . . . rr_6pqf 1
. 20 . 3976 . 1 1 17 ALA HB1 H -5.251 -6.768 -4.787 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB1 . . . . . . . . . rr_6pqf 1
. 20 . 3977 . 1 1 17 ALA HB2 H -4.058 -6.247 -5.978 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB2 . . . . . . . . . rr_6pqf 1
. 20 . 3978 . 1 1 17 ALA HB3 H -4.694 -7.891 -6.028 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB3 . . . . . . . . . rr_6pqf 1
. 20 . 3979 . 1 1 17 ALA N N -2.356 -8.400 -5.183 . . . 1.0 . . . . . . . . . . . . A . 17 ALA N . . . . . . . . . rr_6pqf 1
. 20 . 3980 . 1 1 17 ALA O O -3.649 -7.804 -2.115 . . . 1.0 . . . . . . . . . . . . A . 17 ALA O . . . . . . . . . rr_6pqf 1
. 20 . 3981 . 1 1 18 ALA C C -6.283 -9.238 -1.727 . . . 1.0 . . . . . . . . . . . . A . 18 ALA C . . . . . . . . . rr_6pqf 1
. 20 . 3982 . 1 1 18 ALA CA C -5.178 -10.140 -2.437 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CA . . . . . . . . . rr_6pqf 1
. 20 . 3983 . 1 1 18 ALA CB C -4.215 -10.610 -1.410 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CB . . . . . . . . . rr_6pqf 1
. 20 . 3984 . 1 1 18 ALA H H -4.677 -9.622 -4.415 . . . 1.0 . . . . . . . . . . . . A . 18 ALA H . . . . . . . . . rr_6pqf 1
. 20 . 3985 . 1 1 18 ALA HA H -5.731 -10.945 -2.884 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HA . . . . . . . . . rr_6pqf 1
. 20 . 3986 . 1 1 18 ALA HB1 H -3.276 -10.087 -1.517 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB1 . . . . . . . . . rr_6pqf 1
. 20 . 3987 . 1 1 18 ALA HB2 H -4.644 -10.377 -0.447 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB2 . . . . . . . . . rr_6pqf 1
. 20 . 3988 . 1 1 18 ALA N N -4.565 -9.341 -3.483 . . . 1.0 . . . . . . . . . . . . A . 18 ALA N . . . . . . . . . rr_6pqf 1
. 20 . 3989 . 1 1 18 ALA O O -6.733 -9.544 -0.623 . . . 1.0 . . . . . . . . . . . . A . 18 ALA O . . . . . . . . . rr_6pqf 1
. 20 . 3990 . 1 1 19 SER C C -9.024 -7.478 -2.433 . . . 1.0 . . . . . . . . . . . . A . 19 SER C . . . . . . . . . rr_6pqf 1
. 20 . 3991 . 1 1 19 SER CA C -7.644 -7.223 -1.834 . . . 1.0 . . . . . . . . . . . . A . 19 SER CA . . . . . . . . . rr_6pqf 1
. 20 . 3992 . 1 1 19 SER CB C -7.220 -5.776 -2.096 . . . 1.0 . . . . . . . . . . . . A . 19 SER CB . . . . . . . . . rr_6pqf 1
. 20 . 3993 . 1 1 19 SER H H -6.264 -7.957 -3.262 . . . 1.0 . . . . . . . . . . . . A . 19 SER H . . . . . . . . . rr_6pqf 1
. 20 . 3994 . 1 1 19 SER HA H -7.692 -7.387 -0.768 . . . 1.0 . . . . . . . . . . . . A . 19 SER HA . . . . . . . . . rr_6pqf 1
. 20 . 3995 . 1 1 19 SER HB2 H -6.572 -5.444 -1.300 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB2 . . . . . . . . . rr_6pqf 1
. 20 . 3996 . 1 1 19 SER HB3 H -6.692 -5.724 -3.037 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB3 . . . . . . . . . rr_6pqf 1
. 20 . 3997 . 1 1 19 SER HG H -8.054 -4.004 -2.140 . . . 1.0 . . . . . . . . . . . . A . 19 SER HG . . . . . . . . . rr_6pqf 1
. 20 . 3998 . 1 1 19 SER N N -6.659 -8.147 -2.385 . . . 1.0 . . . . . . . . . . . . A . 19 SER N . . . . . . . . . rr_6pqf 1
. 20 . 3999 . 1 1 19 SER O O -9.154 -8.162 -3.447 . . . 1.0 . . . . . . . . . . . . A . 19 SER O . . . . . . . . . rr_6pqf 1
. 20 . 4000 . 1 1 19 SER OG O -8.346 -4.918 -2.156 . . . 1.0 . . . . . . . . . . . . A . 19 SER OG . . . . . . . . . rr_6pqf 1
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_framecode global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID rr_6pqf
_Constraint_stat_list.ID 1
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 6pqf.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_6pqf 1
1 6pqf.mr . . DYANA/DIANA 2 distance NOE simple 104 rr_6pqf 1
1 6pqf.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_6pqf 1
stop_
save_
save_constraint_statistics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Sf_framecode constraint_statistics
_Constraint_stat_list.Entry_ID rr_6pqf
_Constraint_stat_list.ID 1
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 "From CCPN project: '6pqf'" . . . . distance "general distance" . 74 rr_6pqf 1
stop_
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 6pqf.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_6pqf 1
1 6pqf.mr . . DYANA/DIANA 2 distance NOE simple 104 rr_6pqf 1
1 6pqf.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_6pqf 1
stop_
save_
save_DYANA/DIANA_distance_constraints_2
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_2
_Gen_dist_constraint_list.Entry_ID rr_6pqf
_Gen_dist_constraint_list.ID 1
_Gen_dist_constraint_list.Constraint_type NOE
_Gen_dist_constraint_list.Details "Generated by Wattos"
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 2
loop_
_Gen_dist_constraint_software.Software_ID
_Gen_dist_constraint_software.Software_label
_Gen_dist_constraint_software.Method_ID
_Gen_dist_constraint_software.Method_label
_Gen_dist_constraint_software.Entry_ID
_Gen_dist_constraint_software.Gen_dist_constraint_list_ID
. . . . rr_6pqf 1
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 . . 1 1 14 14 ALA MB H . . . 1 1 9 9 ALA MB H . . . . . . . 4.72 . . . . . A . 14 ALA MB . . A . 9 ALA MB . . . 14 ALS HB1 . . . . . 9 ALA HB1 . . rr_6pqf 1
2 1 . . 1 1 14 14 ALA MB H . . . 1 1 9 9 ALA MB H . . . . . . . 5.04 . . . . . A . 14 ALA MB . . A . 9 ALA MB . . . 14 ALS HB2 . . . . . 9 ALA HB1 . . rr_6pqf 1
3 1 OR . 1 1 10 10 LYS HA H . . . 1 1 10 10 LYS HD3 H . . . . . . . 4.42 . . . . . A . 10 LYS HA . . A . 10 LYS HD3 . . . 10 LYS HA . . . . . 10 LYS QD . . rr_6pqf 1
3 2 OR . 1 1 10 10 LYS HA H . . . 1 1 10 10 LYS HD2 H . . . . . . . 4.42 . . . . . A . 10 LYS HA . . A . 10 LYS HD2 . . . 10 LYS HA . . . . . 10 LYS QD . . rr_6pqf 1
4 1 . . 1 1 10 10 LYS HA H . . . 1 1 10 10 LYS HD2 H . . . . . . . 5.50 . . . . . A . 10 LYS HA . . A . 10 LYS HD2 . . . 10 LYS HA . . . . . 10 LYS HD2 . . rr_6pqf 1
5 1 . . 1 1 10 10 LYS HA H . . . 1 1 10 10 LYS HD3 H . . . . . . . 5.50 . . . . . A . 10 LYS HA . . A . 10 LYS HD3 . . . 10 LYS HA . . . . . 10 LYS HD3 . . rr_6pqf 1
6 1 . . 1 1 10 10 LYS HA H . . . 1 1 15 15 SER HB2 H . . . . . . . 5.20 . . . . . A . 10 LYS HA . . A . 15 SER HB2 . . . 10 LYS HA . . . . . 15 SER HB2 . . rr_6pqf 1
7 1 . . 1 1 12 12 CYS HA H . . . 1 1 18 18 ALA HA H . . . . . . . 5.50 . . . . . A . 12 CYS HA . . A . 18 ALA HA . . . 12 CYS HA . . . . . 18 ALS HA . . rr_6pqf 1
8 1 . . 1 1 18 18 ALA HA H . . . 1 1 17 17 ALA HA H . . . . . . . 5.50 . . . . . A . 18 ALA HA . . A . 17 ALA HA . . . 18 ALS HA . . . . . 17 ALA HA . . rr_6pqf 1
9 1 . . 1 1 2 2 CYS HA H . . . 1 1 14 14 ALA HA H . . . . . . . 5.20 . . . . . A . 2 CYS HA . . A . 14 ALA HA . . . 2 CYS HA . . . . . 14 ALS HA . . rr_6pqf 1
10 1 . . 1 1 14 14 ALA MB H . . . 1 1 8 8 CYS HA H . . . . . . . 5.50 . . . . . A . 14 ALA MB . . A . 8 CYS HA . . . 14 ALS HB1 . . . . . 8 CYS HA . . rr_6pqf 1
11 1 . . 1 1 14 14 ALA MB H . . . 1 1 10 10 LYS HA H . . . . . . . 5.50 . . . . . A . 14 ALA MB . . A . 10 LYS HA . . . 14 ALS HB1 . . . . . 10 LYS HA . . rr_6pqf 1
12 1 . . 1 1 10 10 LYS HA H . . . 1 1 15 15 SER HB3 H . . . . . . . 5.20 . . . . . A . 10 LYS HA . . A . 15 SER HB3 . . . 10 LYS HA . . . . . 15 SER HB3 . . rr_6pqf 1
13 1 . . 1 1 8 8 CYS HA H . . . 1 1 9 9 ALA H H . . . . . . . 2.94 . . . . . A . 8 CYS HA . . A . 9 ALA H . . . 8 CYS HA . . . . . 9 ALA H . . rr_6pqf 1
14 1 . . 1 1 9 9 ALA H H . . . 1 1 9 9 ALA MB H . . . . . . . 3.07 . . . . . A . 9 ALA H . . A . 9 ALA MB . . . 9 ALA H . . . . . 9 ALA HB1 . . rr_6pqf 1
15 1 . . 1 1 8 8 CYS H H . . . 1 1 8 8 CYS HB2 H . . . . . . . 3.52 . . . . . A . 8 CYS H . . A . 8 CYS HB2 . . . 8 CYS H . . . . . 8 CYS HB2 . . rr_6pqf 1
16 1 . . 1 1 8 8 CYS H H . . . 1 1 8 8 CYS HB3 H . . . . . . . 3.52 . . . . . A . 8 CYS H . . A . 8 CYS HB3 . . . 8 CYS H . . . . . 8 CYS HB3 . . rr_6pqf 1
17 1 . . 1 1 17 17 ALA H H . . . 1 1 17 17 ALA MB H . . . . . . . 3.70 . . . . . A . 17 ALA H . . A . 17 ALA MB . . . 17 ALA H . . . . . 17 ALA QB . . rr_6pqf 1
18 1 . . 1 1 14 14 ALA MB H . . . 1 1 14 14 ALA H H . . . . . . . 3.70 . . . . . A . 14 ALA MB . . A . 14 ALA H . . . 14 ALS HB1 . . . . . 14 ALS H . . rr_6pqf 1
19 1 . . 1 1 14 14 ALA MB H . . . 1 1 14 14 ALA H H . . . . . . . 3.76 . . . . . A . 14 ALA MB . . A . 14 ALA H . . . 14 ALS HB2 . . . . . 14 ALS H . . rr_6pqf 1
20 1 . . 1 1 13 13 ALA H H . . . 1 1 13 13 ALA MB H . . . . . . . 3.81 . . . . . A . 13 ALA H . . A . 13 ALA MB . . . 13 ALA H . . . . . 13 ALA HB1 . . rr_6pqf 1
21 1 OR . 1 1 19 19 SER H H . . . 1 1 19 19 SER HB2 H . . . . . . . 4.02 . . . . . A . 19 SER H . . A . 19 SER HB2 . . . 19 SER H . . . . . 19 SER QB . . rr_6pqf 1
21 2 OR . 1 1 19 19 SER H H . . . 1 1 19 19 SER HB3 H . . . . . . . 4.02 . . . . . A . 19 SER H . . A . 19 SER HB3 . . . 19 SER H . . . . . 19 SER QB . . rr_6pqf 1
22 1 . . 1 1 9 9 ALA MB H . . . 1 1 10 10 LYS H H . . . . . . . 3.45 . . . . . A . 9 ALA MB . . A . 10 LYS H . . . 9 ALA QB . . . . . 10 LYS H . . rr_6pqf 1
23 1 . . 1 1 10 10 LYS H H . . . 1 1 9 9 ALA HA H . . . . . . . 2.84 . . . . . A . 10 LYS H . . A . 9 ALA HA . . . 10 LYS H . . . . . 9 ALA HA . . rr_6pqf 1
24 1 . . 1 1 14 14 ALA MB H . . . 1 1 9 9 ALA H H . . . . . . . 3.70 . . . . . A . 14 ALA MB . . A . 9 ALA H . . . 14 ALS HB1 . . . . . 9 ALA H . . rr_6pqf 1
25 1 . . 1 1 14 14 ALA MB H . . . 1 1 9 9 ALA H H . . . . . . . 4.02 . . . . . A . 14 ALA MB . . A . 9 ALA H . . . 14 ALS HB2 . . . . . 9 ALA H . . rr_6pqf 1
26 1 . . 1 1 9 9 ALA H H . . . 1 1 8 8 CYS HB3 H . . . . . . . 4.54 . . . . . A . 9 ALA H . . A . 8 CYS HB3 . . . 9 ALA H . . . . . 8 CYS HB3 . . rr_6pqf 1
27 1 . . 1 1 14 14 ALA MB H . . . 1 1 15 15 SER H H . . . . . . . 4.57 . . . . . A . 14 ALA MB . . A . 15 SER H . . . 14 ALS HB1 . . . . . 15 SER H . . rr_6pqf 1
28 1 . . 1 1 17 17 ALA MB H . . . 1 1 19 19 SER H H . . . . . . . 4.49 . . . . . A . 17 ALA MB . . A . 19 SER H . . . 17 ALA QB . . . . . 19 SER H . . rr_6pqf 1
29 1 . . 1 1 16 16 CYS H H . . . 1 1 15 15 SER HB2 H . . . . . . . 5.14 . . . . . A . 16 CYS H . . A . 15 SER HB2 . . . 16 CYS H . . . . . 15 SER HB2 . . rr_6pqf 1
30 1 . . 1 1 16 16 CYS H H . . . 1 1 15 15 SER HB3 H . . . . . . . 5.14 . . . . . A . 16 CYS H . . A . 15 SER HB3 . . . 16 CYS H . . . . . 15 SER HB3 . . rr_6pqf 1
31 1 . . 1 1 17 17 ALA MB H . . . 1 1 18 18 ALA H H . . . . . . . 3.64 . . . . . A . 17 ALA MB . . A . 18 ALA H . . . 17 ALA QB . . . . . 18 ALS H . . rr_6pqf 1
32 1 . . 1 1 19 19 SER H H . . . 1 1 18 18 ALA MB H . . . . . . . 4.00 . . . . . A . 19 SER H . . A . 18 ALA MB . . . 19 SER H . . . . . 18 ALS HB1 . . rr_6pqf 1
33 1 . . 1 1 17 17 ALA MB H . . . 1 1 18 18 ALA H H . . . . . . . 5.19 . . . . . A . 17 ALA MB . . A . 18 ALA H . . . 17 ALA HB1 . . . . . 18 ALS H . . rr_6pqf 1
34 1 . . 1 1 17 17 ALA MB H . . . 1 1 18 18 ALA H H . . . . . . . 5.50 . . . . . A . 17 ALA MB . . A . 18 ALA H . . . 17 ALA HB2 . . . . . 18 ALS H . . rr_6pqf 1
35 1 . . 1 1 17 17 ALA MB H . . . 1 1 18 18 ALA H H . . . . . . . 5.50 . . . . . A . 17 ALA MB . . A . 18 ALA H . . . 17 ALA HB3 . . . . . 18 ALS H . . rr_6pqf 1
36 1 . . 1 1 14 14 ALA H H . . . 1 1 13 13 ALA MB H . . . . . . . 4.68 . . . . . A . 14 ALA H . . A . 13 ALA MB . . . 14 ALS H . . . . . 13 ALA HB1 . . rr_6pqf 1
37 1 . . 1 1 14 14 ALA H H . . . 1 1 13 13 ALA MB H . . . . . . . 4.98 . . . . . A . 14 ALA H . . A . 13 ALA MB . . . 14 ALS H . . . . . 13 ALA HB2 . . rr_6pqf 1
38 1 . . 1 1 9 9 ALA H H . . . 1 1 8 8 CYS HB2 H . . . . . . . 4.54 . . . . . A . 9 ALA H . . A . 8 CYS HB2 . . . 9 ALA H . . . . . 8 CYS HB2 . . rr_6pqf 1
39 1 . . 1 1 19 19 SER H H . . . 1 1 18 18 ALA MB H . . . . . . . 4.05 . . . . . A . 19 SER H . . A . 18 ALA MB . . . 19 SER H . . . . . 18 ALS HB2 . . rr_6pqf 1
40 1 . . 1 1 18 18 ALA H H . . . 1 1 18 18 ALA MB H . . . . . . . 3.73 . . . . . A . 18 ALA H . . A . 18 ALA MB . . . 18 ALS H . . . . . 18 ALS HB2 . . rr_6pqf 1
41 1 . . 1 1 12 12 CYS HA H . . . 1 1 14 14 ALA H H . . . . . . . 3.95 . . . . . A . 12 CYS HA . . A . 14 ALA H . . . 12 CYS HA . . . . . 14 ALS H . . rr_6pqf 1
42 1 . . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HB2 H . . . . . . . 3.71 . . . . . A . 10 LYS H . . A . 10 LYS HB2 . . . 10 LYS H . . . . . 10 LYS HB2 . . rr_6pqf 1
43 1 . . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HB3 H . . . . . . . 3.71 . . . . . A . 10 LYS H . . A . 10 LYS HB3 . . . 10 LYS H . . . . . 10 LYS HB3 . . rr_6pqf 1
44 1 . . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HG2 H . . . . . . . 4.75 . . . . . A . 10 LYS H . . A . 10 LYS HG2 . . . 10 LYS H . . . . . 10 LYS HG2 . . rr_6pqf 1
45 1 . . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HG3 H . . . . . . . 4.75 . . . . . A . 10 LYS H . . A . 10 LYS HG3 . . . 10 LYS H . . . . . 10 LYS HG3 . . rr_6pqf 1
46 1 . . 1 1 14 14 ALA MB H . . . 1 1 15 15 SER H H . . . . . . . 5.15 . . . . . A . 14 ALA MB . . A . 15 SER H . . . 14 ALS HB2 . . . . . 15 SER H . . rr_6pqf 1
47 1 . . 1 1 12 12 CYS HA H . . . 1 1 16 16 CYS H H . . . . . . . 4.06 . . . . . A . 12 CYS HA . . A . 16 CYS H . . . 12 CYS HA . . . . . 16 CYS H . . rr_6pqf 1
48 1 . . 1 1 14 14 ALA H H . . . 1 1 13 13 ALA H H . . . . . . . 4.58 . . . . . A . 14 ALA H . . A . 13 ALA H . . . 14 ALS H . . . . . 13 ALA H . . rr_6pqf 1
49 1 . . 1 1 15 15 SER H H . . . 1 1 16 16 CYS H H . . . . . . . 3.63 . . . . . A . 15 SER H . . A . 16 CYS H . . . 15 SER H . . . . . 16 CYS H . . rr_6pqf 1
50 1 . . 1 1 17 17 ALA H H . . . 1 1 18 18 ALA H H . . . . . . . 4.33 . . . . . A . 17 ALA H . . A . 18 ALA H . . . 17 ALA H . . . . . 18 ALS H . . rr_6pqf 1
51 1 . . 1 1 8 8 CYS H H . . . 1 1 7 7 GLY H H . . . . . . . 3.91 . . . . . A . 8 CYS H . . A . 7 GLY H . . . 8 CYS H . . . . . 7 GLY H . . rr_6pqf 1
52 1 . . 1 1 9 9 ALA H H . . . 1 1 8 8 CYS H H . . . . . . . 5.03 . . . . . A . 9 ALA H . . A . 8 CYS H . . . 9 ALA H . . . . . 8 CYS H . . rr_6pqf 1
53 1 . . 1 1 14 14 ALA H H . . . 1 1 9 9 ALA MB H . . . . . . . 5.00 . . . . . A . 14 ALA H . . A . 9 ALA MB . . . 14 ALS H . . . . . 9 ALA HB1 . . rr_6pqf 1
54 1 . . 1 1 17 17 ALA H H . . . 1 1 17 17 ALA MB H . . . . . . . 4.11 . . . . . A . 17 ALA H . . A . 17 ALA MB . . . 17 ALA H . . . . . 17 ALA HB2 . . rr_6pqf 1
55 1 . . 1 1 17 17 ALA H H . . . 1 1 17 17 ALA MB H . . . . . . . 4.17 . . . . . A . 17 ALA H . . A . 17 ALA MB . . . 17 ALA H . . . . . 17 ALA HB3 . . rr_6pqf 1
56 1 . . 1 1 18 18 ALA H H . . . 1 1 18 18 ALA MB H . . . . . . . 3.69 . . . . . A . 18 ALA H . . A . 18 ALA MB . . . 18 ALS H . . . . . 18 ALS HB1 . . rr_6pqf 1
57 1 . . 1 1 14 14 ALA H H . . . 1 1 15 15 SER H H . . . . . . . 5.21 . . . . . A . 14 ALA H . . A . 15 SER H . . . 14 ALS H . . . . . 15 SER H . . rr_6pqf 1
58 1 OR . 1 1 14 14 ALA HA H . . . 1 1 2 2 CYS HB2 H . . . . . . . 3.47 . . . . . A . 14 ALA HA . . A . 2 CYS HB2 . . . 14 ALS HA . . . . . 2 CYS QB . . rr_6pqf 1
58 2 OR . 1 1 14 14 ALA HA H . . . 1 1 2 2 CYS HB3 H . . . . . . . 3.47 . . . . . A . 14 ALA HA . . A . 2 CYS HB3 . . . 14 ALS HA . . . . . 2 CYS QB . . rr_6pqf 1
59 1 OR . 1 1 14 14 ALA MB H . . . 1 1 2 2 CYS HB2 H . . . . . . . 4.12 . . . . . A . 14 ALA MB . . A . 2 CYS HB2 . . . 14 ALS HB1 . . . . . 2 CYS QB . . rr_6pqf 1
59 2 OR . 1 1 14 14 ALA MB H . . . 1 1 2 2 CYS HB3 H . . . . . . . 4.12 . . . . . A . 14 ALA MB . . A . 2 CYS HB3 . . . 14 ALS HB1 . . . . . 2 CYS QB . . rr_6pqf 1
60 1 OR . 1 1 14 14 ALA MB H . . . 1 1 2 2 CYS HB3 H . . . . . . . 3.85 . . . . . A . 14 ALA MB . . A . 2 CYS HB3 . . . 14 ALS HB2 . . . . . 2 CYS QB . . rr_6pqf 1
60 2 OR . 1 1 14 14 ALA MB H . . . 1 1 2 2 CYS HB2 H . . . . . . . 3.85 . . . . . A . 14 ALA MB . . A . 2 CYS HB2 . . . 14 ALS HB2 . . . . . 2 CYS QB . . rr_6pqf 1
61 1 OR . 1 1 8 8 CYS H H . . . 1 1 8 8 CYS HB3 H . . . . . . . 2.98 . . . . . A . 8 CYS H . . A . 8 CYS HB3 . . . 8 CYS H . . . . . 8 CYS QB . . rr_6pqf 1
61 2 OR . 1 1 8 8 CYS H H . . . 1 1 8 8 CYS HB2 H . . . . . . . 2.98 . . . . . A . 8 CYS H . . A . 8 CYS HB2 . . . 8 CYS H . . . . . 8 CYS QB . . rr_6pqf 1
62 1 OR . 1 1 9 9 ALA H H . . . 1 1 8 8 CYS HB3 H . . . . . . . 3.91 . . . . . A . 9 ALA H . . A . 8 CYS HB3 . . . 9 ALA H . . . . . 8 CYS QB . . rr_6pqf 1
62 2 OR . 1 1 9 9 ALA H H . . . 1 1 8 8 CYS HB2 H . . . . . . . 3.91 . . . . . A . 9 ALA H . . A . 8 CYS HB2 . . . 9 ALA H . . . . . 8 CYS QB . . rr_6pqf 1
63 1 OR . 1 1 14 14 ALA MB H . . . 1 1 8 8 CYS HB3 H . . . . . . . 5.10 . . . . . A . 14 ALA MB . . A . 8 CYS HB3 . . . 14 ALS HB1 . . . . . 8 CYS QB . . rr_6pqf 1
63 2 OR . 1 1 14 14 ALA MB H . . . 1 1 8 8 CYS HB2 H . . . . . . . 5.10 . . . . . A . 14 ALA MB . . A . 8 CYS HB2 . . . 14 ALS HB1 . . . . . 8 CYS QB . . rr_6pqf 1
64 1 OR . 1 1 8 8 CYS HB3 H . . . 1 1 15 15 SER HB3 H . . . . . . . 4.76 . . . . . A . 8 CYS HB3 . . A . 15 SER HB3 . . . 8 CYS QB . . . . . 15 SER QB . . rr_6pqf 1
64 2 OR . 1 1 15 15 SER HB2 H . . . 1 1 8 8 CYS HB3 H . . . . . . . 4.76 . . . . . A . 15 SER HB2 . . A . 8 CYS HB3 . . . 15 SER QB . . . . . 8 CYS QB . . rr_6pqf 1
64 3 OR . 1 1 8 8 CYS HB2 H . . . 1 1 15 15 SER HB2 H . . . . . . . 4.76 . . . . . A . 8 CYS HB2 . . A . 15 SER HB2 . . . 8 CYS QB . . . . . 15 SER QB . . rr_6pqf 1
64 4 OR . 1 1 8 8 CYS HB2 H . . . 1 1 15 15 SER HB3 H . . . . . . . 4.76 . . . . . A . 8 CYS HB2 . . A . 15 SER HB3 . . . 8 CYS QB . . . . . 15 SER QB . . rr_6pqf 1
65 1 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HB3 H . . . . . . . 3.02 . . . . . A . 10 LYS H . . A . 10 LYS HB3 . . . 10 LYS H . . . . . 10 LYS QB . . rr_6pqf 1
65 2 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HB2 H . . . . . . . 3.02 . . . . . A . 10 LYS H . . A . 10 LYS HB2 . . . 10 LYS H . . . . . 10 LYS QB . . rr_6pqf 1
66 1 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HG3 H . . . . . . . 4.07 . . . . . A . 10 LYS H . . A . 10 LYS HG3 . . . 10 LYS H . . . . . 10 LYS QG . . rr_6pqf 1
66 2 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HG2 H . . . . . . . 4.07 . . . . . A . 10 LYS H . . A . 10 LYS HG2 . . . 10 LYS H . . . . . 10 LYS QG . . rr_6pqf 1
67 1 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HD3 H . . . . . . . 4.84 . . . . . A . 10 LYS H . . A . 10 LYS HD3 . . . 10 LYS H . . . . . 10 LYS QD . . rr_6pqf 1
67 2 OR . 1 1 10 10 LYS HD2 H . . . 1 1 10 10 LYS H H . . . . . . . 4.84 . . . . . A . 10 LYS HD2 . . A . 10 LYS H . . . 10 LYS QD . . . . . 10 LYS H . . rr_6pqf 1
68 1 OR . 1 1 10 10 LYS HA H . . . 1 1 15 15 SER HB3 H . . . . . . . 4.55 . . . . . A . 10 LYS HA . . A . 15 SER HB3 . . . 10 LYS HA . . . . . 15 SER QB . . rr_6pqf 1
68 2 OR . 1 1 10 10 LYS HA H . . . 1 1 15 15 SER HB2 H . . . . . . . 4.55 . . . . . A . 10 LYS HA . . A . 15 SER HB2 . . . 10 LYS HA . . . . . 15 SER QB . . rr_6pqf 1
69 1 OR . 1 1 12 12 CYS HA H . . . 1 1 16 16 CYS HB2 H . . . . . . . 3.59 . . . . . A . 12 CYS HA . . A . 16 CYS HB2 . . . 12 CYS HA . . . . . 16 CYS QB . . rr_6pqf 1
69 2 OR . 1 1 12 12 CYS HA H . . . 1 1 16 16 CYS HB3 H . . . . . . . 3.59 . . . . . A . 12 CYS HA . . A . 16 CYS HB3 . . . 12 CYS HA . . . . . 16 CYS QB . . rr_6pqf 1
70 1 OR . 1 1 16 16 CYS H H . . . 1 1 15 15 SER HB3 H . . . . . . . 4.48 . . . . . A . 16 CYS H . . A . 15 SER HB3 . . . 16 CYS H . . . . . 15 SER QB . . rr_6pqf 1
70 2 OR . 1 1 16 16 CYS H H . . . 1 1 15 15 SER HB2 H . . . . . . . 4.48 . . . . . A . 16 CYS H . . A . 15 SER HB2 . . . 16 CYS H . . . . . 15 SER QB . . rr_6pqf 1
71 1 OR . 1 1 16 16 CYS H H . . . 1 1 16 16 CYS HB2 H . . . . . . . 3.09 . . . . . A . 16 CYS H . . A . 16 CYS HB2 . . . 16 CYS H . . . . . 16 CYS QB . . rr_6pqf 1
71 2 OR . 1 1 16 16 CYS H H . . . 1 1 16 16 CYS HB3 H . . . . . . . 3.09 . . . . . A . 16 CYS H . . A . 16 CYS HB3 . . . 16 CYS H . . . . . 16 CYS QB . . rr_6pqf 1
72 1 OR . 1 1 17 17 ALA H H . . . 1 1 16 16 CYS HB2 H . . . . . . . 3.87 . . . . . A . 17 ALA H . . A . 16 CYS HB2 . . . 17 ALA H . . . . . 16 CYS QB . . rr_6pqf 1
72 2 OR . 1 1 17 17 ALA H H . . . 1 1 16 16 CYS HB3 H . . . . . . . 3.87 . . . . . A . 17 ALA H . . A . 16 CYS HB3 . . . 17 ALA H . . . . . 16 CYS QB . . rr_6pqf 1
73 1 OR . 1 1 17 17 ALA HA H . . . 1 1 16 16 CYS HB2 H . . . . . . . 5.34 . . . . . A . 17 ALA HA . . A . 16 CYS HB2 . . . 17 ALA HA . . . . . 16 CYS QB . . rr_6pqf 1
73 2 OR . 1 1 17 17 ALA HA H . . . 1 1 16 16 CYS HB3 H . . . . . . . 5.34 . . . . . A . 17 ALA HA . . A . 16 CYS HB3 . . . 17 ALA HA . . . . . 16 CYS QB . . rr_6pqf 1
74 1 OR . 1 1 18 18 ALA H H . . . 1 1 16 16 CYS HB2 H . . . . . . . 3.75 . . . . . A . 18 ALA H . . A . 16 CYS HB2 . . . 18 ALS H . . . . . 16 CYS QB . . rr_6pqf 1
74 2 OR . 1 1 18 18 ALA H H . . . 1 1 16 16 CYS HB3 H . . . . . . . 3.75 . . . . . A . 18 ALA H . . A . 16 CYS HB3 . . . 18 ALS H . . . . . 16 CYS QB . . rr_6pqf 1
stop_
loop_
_Gen_dist_constraint_comment_org.ID
_Gen_dist_constraint_comment_org.Comment_text
_Gen_dist_constraint_comment_org.Comment_begin_line
_Gen_dist_constraint_comment_org.Comment_begin_column
_Gen_dist_constraint_comment_org.Comment_end_line
_Gen_dist_constraint_comment_org.Comment_end_column
_Gen_dist_constraint_comment_org.Entry_ID
_Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID
1 "Restraints file 1: final.upl" 1 1 1 30 rr_6pqf 1
2 "peak 24" 2 49 2 59 rr_6pqf 1
3 "peak 39 #SUP 0.97 #QF 0.89" 3 49 3 81 rr_6pqf 1
4 "peak 41" 4 49 4 59 rr_6pqf 1
5 "peak 42" 5 49 5 59 rr_6pqf 1
6 "peak 49" 6 49 6 59 rr_6pqf 1
7 "peak 56 #SUP 1.00 #QF 0.96" 7 49 7 81 rr_6pqf 1
8 "peak 56 #SUP 1.00 #QF 0.96" 8 49 8 81 rr_6pqf 1
9 "peak 68 #SUP 0.88 #QF 0.88" 9 49 9 81 rr_6pqf 1
10 "peak 69 #SUP 0.60 #QF 0.35" 10 49 10 81 rr_6pqf 1
11 "peak 69 #SUP 0.60 #QF 0.35" 11 49 11 81 rr_6pqf 1
12 "peak 93 #SUP 1.00" 12 49 12 70 rr_6pqf 1
13 "peak 108 #SUP 0.93 #QF 0.93" 13 49 13 81 rr_6pqf 1
14 "peak 115 #SUP 0.88 #QF 0.88" 14 49 14 81 rr_6pqf 1
15 "peak 118 #SUP 0.69 #QF 0.69" 15 49 15 81 rr_6pqf 1
16 "peak 2 #SUP 0.84 #QF 0.54" 16 49 16 81 rr_6pqf 1
17 "peak 3" 17 49 17 59 rr_6pqf 1
18 "peak 7" 18 49 18 59 rr_6pqf 1
19 "peak 8" 19 49 19 59 rr_6pqf 1
20 "peak 13" 20 49 20 59 rr_6pqf 1
21 "peak 14" 21 49 21 59 rr_6pqf 1
22 "peak 15" 22 49 22 59 rr_6pqf 1
23 "peak 16" 23 49 23 59 rr_6pqf 1
24 "peak 18" 24 49 24 59 rr_6pqf 1
25 "peak 20" 25 49 25 59 rr_6pqf 1
26 "peak 22 #SUP 0.45 #QF 0.45" 26 49 26 81 rr_6pqf 1
27 "peak 24 #SUP 0.94 #QF 0.94" 27 49 27 81 rr_6pqf 1
28 "peak 25 #SUP 0.93 #QF 0.93" 28 49 28 81 rr_6pqf 1
29 "peak 27 #SUP 0.99 #QF 0.99" 29 49 29 81 rr_6pqf 1
30 "peak 28 #SUP 0.76 #QF 0.76" 30 49 30 81 rr_6pqf 1
31 "peak 29" 31 49 31 59 rr_6pqf 1
32 "peak 30" 32 49 32 59 rr_6pqf 1
33 "peak 32 #SUP 0.99 #QF 0.99" 33 49 33 81 rr_6pqf 1
34 "peak 33 #SUP 0.97 #QF 0.97" 34 49 34 81 rr_6pqf 1
35 "peak 34 #SUP 0.91 #QF 0.91" 35 49 35 81 rr_6pqf 1
36 "peak 40" 36 49 36 59 rr_6pqf 1
37 "peak 44 #SUP 0.81 #QF 0.81" 37 49 37 81 rr_6pqf 1
38 "peak 45 #SUP 0.59 #QF 0.59" 38 49 38 81 rr_6pqf 1
39 "peak 47 #SUP 0.90 #QF 0.90" 39 49 39 81 rr_6pqf 1
40 "peak 48 #SUP 1.00 #QF 0.97" 40 49 40 81 rr_6pqf 1
41 "peak 48 #SUP 1.00 #QF 0.97" 41 49 41 81 rr_6pqf 1
42 "peak 48 #SUP 1.00 #QF 0.97" 42 49 42 81 rr_6pqf 1
43 "peak 51 #SUP 0.92 #QF 0.50" 43 49 43 81 rr_6pqf 1
44 "peak 51 #SUP 0.92 #QF 0.50" 44 49 44 81 rr_6pqf 1
45 "peak 52 #SUP 0.77 #QF 0.77" 45 49 45 81 rr_6pqf 1
46 "peak 55 #SUP 0.94 #QF 0.94" 46 49 46 81 rr_6pqf 1
47 "peak 58 #SUP 0.91 #QF 0.91" 47 49 47 81 rr_6pqf 1
48 "peak 64 #SUP 0.74 #QF 0.74" 48 49 48 81 rr_6pqf 1
49 "peak 69 #SUP 0.81 #QF 0.44" 49 49 49 81 rr_6pqf 1
50 "peak 69 #SUP 0.81 #QF 0.44" 50 49 50 81 rr_6pqf 1
51 "peak 70 #SUP 0.66 #QF 0.57" 51 49 51 81 rr_6pqf 1
52 "peak 70 #SUP 0.66 #QF 0.57" 52 49 52 81 rr_6pqf 1
53 "peak 72 #SUP 0.79 #QF 0.51" 53 49 53 81 rr_6pqf 1
54 "peak 72 #SUP 0.79 #QF 0.51" 54 49 54 81 rr_6pqf 1
55 "peak 74 #SUP 0.94 #QF 0.94" 55 49 55 81 rr_6pqf 1
56 "peak 75 #SUP 0.77 #QF 0.53" 56 49 56 81 rr_6pqf 1
57 "peak 75 #SUP 0.77 #QF 0.53" 57 49 57 81 rr_6pqf 1
58 "peak 76 #SUP 0.94 #QF 0.94" 58 49 58 81 rr_6pqf 1
59 "peak 77 #SUP 0.80 #QF 0.47" 59 49 59 81 rr_6pqf 1
60 "peak 77 #SUP 0.80 #QF 0.47" 60 49 60 81 rr_6pqf 1
61 "peak 77 #SUP 0.80 #QF 0.47" 61 49 61 81 rr_6pqf 1
62 "peak 78 #SUP 0.70 #QF 0.55" 62 49 62 81 rr_6pqf 1
63 "peak 78 #SUP 0.70 #QF 0.55" 63 49 63 81 rr_6pqf 1
64 "peak 79 #SUP 0.58 #QF 0.58" 64 49 64 81 rr_6pqf 1
65 "peak 80 #SUP 0.93 #QF 0.93" 65 49 65 81 rr_6pqf 1
66 "peak 83 #SUP 0.98 #QF 0.98" 66 49 66 81 rr_6pqf 1
67 "peak 85 #SUP 0.47 #QF 0.47" 67 49 67 81 rr_6pqf 1
68 "peak 86" 68 49 68 59 rr_6pqf 1
69 "peak 87 #SUP 0.83 #QF 0.83" 69 49 69 81 rr_6pqf 1
70 "peak 88 #SUP 0.84 #QF 0.84" 70 49 70 81 rr_6pqf 1
71 "peak 90 #SUP 1.00" 71 49 71 70 rr_6pqf 1
72 "peak 91 #SUP 0.88 #QF 0.88" 72 49 72 81 rr_6pqf 1
73 "peak 92 #SUP 0.70 #QF 0.70" 73 49 73 81 rr_6pqf 1
74 "peak 94 #SUP 0.99 #QF 0.75" 74 49 74 81 rr_6pqf 1
75 "peak 94 #SUP 0.99 #QF 0.75" 75 49 75 81 rr_6pqf 1
76 "peak 95" 76 49 76 59 rr_6pqf 1
77 "peak 103 #SUP 0.96 #QF 0.96" 77 49 77 81 rr_6pqf 1
78 "peak 97" 78 49 78 59 rr_6pqf 1
79 "peak 100" 79 49 79 59 rr_6pqf 1
80 "peak 85" 80 49 80 59 rr_6pqf 1
81 "peak 61" 81 49 81 59 rr_6pqf 1
82 "peak 82" 82 49 82 59 rr_6pqf 1
83 "peak 41" 83 49 83 59 rr_6pqf 1
84 "peak 37" 84 49 84 59 rr_6pqf 1
85 "peak 33" 85 49 85 59 rr_6pqf 1
86 "peak 74" 86 49 86 59 rr_6pqf 1
87 "peak 44" 87 49 87 59 rr_6pqf 1
88 "peak 68" 88 49 88 59 rr_6pqf 1
89 "peak 78" 89 49 89 59 rr_6pqf 1
90 "peak 7" 90 49 90 59 rr_6pqf 1
91 "peak 27" 91 49 91 59 rr_6pqf 1
92 "peak 66" 92 49 92 59 rr_6pqf 1
93 "peak 103" 93 49 93 59 rr_6pqf 1
94 "peak 70" 94 49 94 59 rr_6pqf 1
95 "peak 72" 95 49 95 59 rr_6pqf 1
96 "peak 1" 96 49 96 59 rr_6pqf 1
97 "peak 68" 97 49 97 59 rr_6pqf 1
98 "peak 69" 98 49 98 59 rr_6pqf 1
99 "peak 29" 99 49 99 59 rr_6pqf 1
100 "peak 45" 100 49 100 59 rr_6pqf 1
101 "peak 32" 101 49 101 59 rr_6pqf 1
102 "peak 17" 102 49 102 59 rr_6pqf 1
103 "peak 96" 103 49 103 59 rr_6pqf 1
104 "peak 46" 104 49 104 59 rr_6pqf 1
105 "peak 39" 105 49 105 59 rr_6pqf 1
stop_
loop_
_Gen_dist_constraint_conv_err.ID
_Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID
_Gen_dist_constraint_conv_err.Parse_file_constraint_ID
_Gen_dist_constraint_conv_err.Conv_error_type
_Gen_dist_constraint_conv_err.Conv_error_note
_Gen_dist_constraint_conv_err.Entry_ID
_Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID
1 2 3 1 "Not handling restraint 3, item 1, resonance(s) ' .4.HB' (nmrStar names) not linked" rr_6pqf 1
2 2 4 1 "Not handling restraint 4, item 1, resonance(s) ' .4.HB' (nmrStar names) not linked" rr_6pqf 1
3 2 30 1 "Not handling restraint 30, item 1, resonance(s) ' .6.QB' (nmrStar names) not linked" rr_6pqf 1
4 2 34 1 "Not handling restraint 34, item 1, resonance(s) ' .11.HB' (nmrStar names) not linked" rr_6pqf 1
5 2 36 1 "Not handling restraint 36, item 1, resonance(s) ' .6.H' (nmrStar names) not linked" rr_6pqf 1
6 2 37 1 "Not handling restraint 37, item 1, resonance(s) ' .6.H' (nmrStar names),' .4.HG21' (nmrStar names) not linked" rr_6pqf 1
7 2 48 1 "Not handling restraint 48, item 1, resonance(s) ' .11.H' (nmrStar names) not linked" rr_6pqf 1
8 2 49 1 "Not handling restraint 49, item 1, resonance(s) ' .11.H' (nmrStar names) not linked" rr_6pqf 1
9 2 55 1 "Not handling restraint 55, item 1, resonance(s) ' .11.H' (nmrStar names) not linked" rr_6pqf 1
10 2 56 1 "Not handling restraint 56, item 1, resonance(s) ' .11.H' (nmrStar names) not linked" rr_6pqf 1
11 2 58 1 "Not handling restraint 58, item 1, resonance(s) ' .11.HG21' (nmrStar names) not linked" rr_6pqf 1
12 2 59 1 "Not handling restraint 59, item 1, resonance(s) ' .11.HG22' (nmrStar names) not linked" rr_6pqf 1
13 2 60 1 "Not handling restraint 60, item 1, resonance(s) ' .11.HG23' (nmrStar names) not linked" rr_6pqf 1
14 2 61 1 "Not handling restraint 61, item 1, resonance(s) ' .6.HB2' (nmrStar names) not linked" rr_6pqf 1
15 2 62 1 "Not handling restraint 62, item 1, resonance(s) ' .6.HB3' (nmrStar names) not linked" rr_6pqf 1
16 2 63 1 "Not handling restraint 63, item 1, resonance(s) ' .4.HG21' (nmrStar names) not linked" rr_6pqf 1
17 2 64 1 "Not handling restraint 64, item 1, resonance(s) ' .6.H' (nmrStar names) not linked" rr_6pqf 1
18 2 70 1 "Not handling restraint 70, item 1, resonance(s) ' .6.H' (nmrStar names) not linked" rr_6pqf 1
19 2 71 1 "Not handling restraint 71, item 1, resonance(s) ' .6.H' (nmrStar names) not linked" rr_6pqf 1
20 2 77 1 "Not handling restraint 77, item 1, resonance(s) ' .4.H' (nmrStar names) not linked" rr_6pqf 1
21 2 77 1 "Not handling restraint 77, item 1, resonance(s) ' .4.H' (nmrStar names) not linked" rr_6pqf 1
22 2 81 1 "Not handling restraint 81, item 1, resonance(s) ' .4.H' (nmrStar names) not linked" rr_6pqf 1
23 2 81 1 "Not handling restraint 81, item 1, resonance(s) ' .4.H' (nmrStar names) not linked" rr_6pqf 1
24 2 82 1 "Not handling restraint 82, item 1, resonance(s) ' .4.HB' (nmrStar names) not linked" rr_6pqf 1
25 2 82 1 "Not handling restraint 82, item 1, resonance(s) ' .4.HB' (nmrStar names) not linked" rr_6pqf 1
26 2 83 1 "Not handling restraint 83, item 1, resonance(s) ' .4.HG21' (nmrStar names) not linked" rr_6pqf 1
27 2 83 1 "Not handling restraint 83, item 1, resonance(s) ' .4.HG21' (nmrStar names) not linked" rr_6pqf 1
28 2 84 1 "Not handling restraint 84, item 1, resonance(s) ' .4.HG23' (nmrStar names) not linked" rr_6pqf 1
29 2 84 1 "Not handling restraint 84, item 1, resonance(s) ' .4.HG23' (nmrStar names) not linked" rr_6pqf 1
30 2 85 1 "Not handling restraint 85, item 1, resonance(s) ' .4.HG23' (nmrStar names) not linked" rr_6pqf 1
31 2 85 1 "Not handling restraint 85, item 1, resonance(s) ' .4.HG23' (nmrStar names) not linked" rr_6pqf 1
32 2 86 1 "Not handling restraint 86, item 1, resonance(s) ' .6.H' (nmrStar names) not linked" rr_6pqf 1
33 2 86 1 "Not handling restraint 86, item 1, resonance(s) ' .6.H' (nmrStar names) not linked" rr_6pqf 1
34 2 87 1 "Not handling restraint 87, item 1, resonance(s) ' .6.QB' (nmrStar names) not linked" rr_6pqf 1
35 2 88 1 "Not handling restraint 88, item 1, resonance(s) ' .6.QB' (nmrStar names) not linked" rr_6pqf 1
36 2 97 1 "Not handling restraint 97, item 1, resonance(s) ' .11.H' (nmrStar names) not linked" rr_6pqf 1
37 2 97 1 "Not handling restraint 97, item 1, resonance(s) ' .11.H' (nmrStar names) not linked" rr_6pqf 1
38 2 98 1 "Not handling restraint 98, item 1, resonance(s) ' .11.HB' (nmrStar names) not linked" rr_6pqf 1
39 2 98 1 "Not handling restraint 98, item 1, resonance(s) ' .11.HB' (nmrStar names) not linked" rr_6pqf 1
stop_
save_
save_DYANA/DIANA_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_2_1
_Distance_constraint_list.Entry_ID rr_6pqf
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Details "Generated by Wattos"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 2
loop_
_Distance_constraint_software.Software_ID
_Distance_constraint_software.Software_label
_Distance_constraint_software.Method_ID
_Distance_constraint_software.Method_label
_Distance_constraint_software.Entry_ID
_Distance_constraint_software.Distance_constraint_list_ID
. . . . rr_6pqf 1
stop_
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . rr_6pqf 1
2 1 . . . rr_6pqf 1
3 1 2 . OR rr_6pqf 1
3 2 . 3 . rr_6pqf 1
3 3 . . . rr_6pqf 1
4 1 . . . rr_6pqf 1
5 1 . . . rr_6pqf 1
6 1 . . . rr_6pqf 1
7 1 . . . rr_6pqf 1
8 1 . . . rr_6pqf 1
9 1 . . . rr_6pqf 1
10 1 . . . rr_6pqf 1
11 1 . . . rr_6pqf 1
12 1 . . . rr_6pqf 1
13 1 . . . rr_6pqf 1
14 1 . . . rr_6pqf 1
15 1 . . . rr_6pqf 1
16 1 . . . rr_6pqf 1
17 1 . . . rr_6pqf 1
18 1 . . . rr_6pqf 1
19 1 . . . rr_6pqf 1
20 1 . . . rr_6pqf 1
21 1 2 . OR rr_6pqf 1
21 2 . 3 . rr_6pqf 1
21 3 . . . rr_6pqf 1
22 1 . . . rr_6pqf 1
23 1 . . . rr_6pqf 1
24 1 . . . rr_6pqf 1
25 1 . . . rr_6pqf 1
26 1 . . . rr_6pqf 1
27 1 . . . rr_6pqf 1
28 1 . . . rr_6pqf 1
29 1 . . . rr_6pqf 1
30 1 . . . rr_6pqf 1
31 1 . . . rr_6pqf 1
32 1 . . . rr_6pqf 1
33 1 . . . rr_6pqf 1
34 1 . . . rr_6pqf 1
35 1 . . . rr_6pqf 1
36 1 . . . rr_6pqf 1
37 1 . . . rr_6pqf 1
38 1 . . . rr_6pqf 1
39 1 . . . rr_6pqf 1
40 1 . . . rr_6pqf 1
41 1 . . . rr_6pqf 1
42 1 . . . rr_6pqf 1
43 1 . . . rr_6pqf 1
44 1 . . . rr_6pqf 1
45 1 . . . rr_6pqf 1
46 1 . . . rr_6pqf 1
47 1 . . . rr_6pqf 1
48 1 . . . rr_6pqf 1
49 1 . . . rr_6pqf 1
50 1 . . . rr_6pqf 1
51 1 . . . rr_6pqf 1
52 1 . . . rr_6pqf 1
53 1 . . . rr_6pqf 1
54 1 . . . rr_6pqf 1
55 1 . . . rr_6pqf 1
56 1 . . . rr_6pqf 1
57 1 . . . rr_6pqf 1
58 1 2 . OR rr_6pqf 1
58 2 . 3 . rr_6pqf 1
58 3 . . . rr_6pqf 1
59 1 2 . OR rr_6pqf 1
59 2 . 3 . rr_6pqf 1
59 3 . . . rr_6pqf 1
60 1 2 . OR rr_6pqf 1
60 2 . 3 . rr_6pqf 1
60 3 . . . rr_6pqf 1
61 1 2 . OR rr_6pqf 1
61 2 . 3 . rr_6pqf 1
61 3 . . . rr_6pqf 1
62 1 2 . OR rr_6pqf 1
62 2 . 3 . rr_6pqf 1
62 3 . . . rr_6pqf 1
63 1 2 . OR rr_6pqf 1
63 2 . 3 . rr_6pqf 1
63 3 . . . rr_6pqf 1
64 1 2 . OR rr_6pqf 1
64 2 . 3 . rr_6pqf 1
64 3 . 4 . rr_6pqf 1
64 4 . 5 . rr_6pqf 1
64 5 . . . rr_6pqf 1
65 1 2 . OR rr_6pqf 1
65 2 . 3 . rr_6pqf 1
65 3 . . . rr_6pqf 1
66 1 2 . OR rr_6pqf 1
66 2 . 3 . rr_6pqf 1
66 3 . . . rr_6pqf 1
67 1 2 . OR rr_6pqf 1
67 2 . 3 . rr_6pqf 1
67 3 . . . rr_6pqf 1
68 1 2 . OR rr_6pqf 1
68 2 . 3 . rr_6pqf 1
68 3 . . . rr_6pqf 1
69 1 2 . OR rr_6pqf 1
69 2 . 3 . rr_6pqf 1
69 3 . . . rr_6pqf 1
70 1 2 . OR rr_6pqf 1
70 2 . 3 . rr_6pqf 1
70 3 . . . rr_6pqf 1
71 1 2 . OR rr_6pqf 1
71 2 . 3 . rr_6pqf 1
71 3 . . . rr_6pqf 1
72 1 2 . OR rr_6pqf 1
72 2 . 3 . rr_6pqf 1
72 3 . . . rr_6pqf 1
73 1 2 . OR rr_6pqf 1
73 2 . 3 . rr_6pqf 1
73 3 . . . rr_6pqf 1
74 1 2 . OR rr_6pqf 1
74 2 . 3 . rr_6pqf 1
74 3 . . . rr_6pqf 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 . 1 . 1 1 9 9 ALA MB H . . . . 9 ALA HB1 rr_6pqf 1
1 1 . 2 . 1 1 14 14 ALA MB H . . . . 14 ALS HB1 rr_6pqf 1
2 1 . 1 . 1 1 9 9 ALA MB H . . . . 9 ALA HB1 rr_6pqf 1
2 1 . 2 . 1 1 14 14 ALA MB H . . . . 14 ALS HB2 rr_6pqf 1
3 2 . 1 . 1 1 10 10 LYS HA H . . . . 10 LYS HA rr_6pqf 1
3 2 . 2 . 1 1 10 10 LYS HD3 H . . . . 10 LYS QD rr_6pqf 1
3 3 . 1 . 1 1 10 10 LYS HA H . . . . 10 LYS HA rr_6pqf 1
3 3 . 2 . 1 1 10 10 LYS HD2 H . . . . 10 LYS QD rr_6pqf 1
4 1 . 1 . 1 1 10 10 LYS HA H . . . . 10 LYS HA rr_6pqf 1
4 1 . 2 . 1 1 10 10 LYS HD2 H . . . . 10 LYS HD2 rr_6pqf 1
5 1 . 1 . 1 1 10 10 LYS HA H . . . . 10 LYS HA rr_6pqf 1
5 1 . 2 . 1 1 10 10 LYS HD3 H . . . . 10 LYS HD3 rr_6pqf 1
6 1 . 1 . 1 1 10 10 LYS HA H . . . . 10 LYS HA rr_6pqf 1
6 1 . 2 . 1 1 15 15 SER HB2 H . . . . 15 SER HB2 rr_6pqf 1
7 1 . 1 . 1 1 12 12 CYS HA H . . . . 12 CYS HA rr_6pqf 1
7 1 . 2 . 1 1 18 18 ALA HA H . . . . 18 ALS HA rr_6pqf 1
8 1 . 1 . 1 1 17 17 ALA HA H . . . . 17 ALA HA rr_6pqf 1
8 1 . 2 . 1 1 18 18 ALA HA H . . . . 18 ALS HA rr_6pqf 1
9 1 . 1 . 1 1 2 2 CYS HA H . . . . 2 CYS HA rr_6pqf 1
9 1 . 2 . 1 1 14 14 ALA HA H . . . . 14 ALS HA rr_6pqf 1
10 1 . 1 . 1 1 8 8 CYS HA H . . . . 8 CYS HA rr_6pqf 1
10 1 . 2 . 1 1 14 14 ALA MB H . . . . 14 ALS HB1 rr_6pqf 1
11 1 . 1 . 1 1 10 10 LYS HA H . . . . 10 LYS HA rr_6pqf 1
11 1 . 2 . 1 1 14 14 ALA MB H . . . . 14 ALS HB1 rr_6pqf 1
12 1 . 1 . 1 1 10 10 LYS HA H . . . . 10 LYS HA rr_6pqf 1
12 1 . 2 . 1 1 15 15 SER HB3 H . . . . 15 SER HB3 rr_6pqf 1
13 1 . 1 . 1 1 8 8 CYS HA H . . . . 8 CYS HA rr_6pqf 1
13 1 . 2 . 1 1 9 9 ALA H H . . . . 9 ALA H rr_6pqf 1
14 1 . 1 . 1 1 9 9 ALA H H . . . . 9 ALA H rr_6pqf 1
14 1 . 2 . 1 1 9 9 ALA MB H . . . . 9 ALA HB1 rr_6pqf 1
15 1 . 1 . 1 1 8 8 CYS H H . . . . 8 CYS H rr_6pqf 1
15 1 . 2 . 1 1 8 8 CYS HB2 H . . . . 8 CYS HB2 rr_6pqf 1
16 1 . 1 . 1 1 8 8 CYS H H . . . . 8 CYS H rr_6pqf 1
16 1 . 2 . 1 1 8 8 CYS HB3 H . . . . 8 CYS HB3 rr_6pqf 1
17 1 . 1 . 1 1 17 17 ALA H H . . . . 17 ALA H rr_6pqf 1
17 1 . 2 . 1 1 17 17 ALA MB H . . . . 17 ALA QB rr_6pqf 1
18 1 . 1 . 1 1 14 14 ALA H H . . . . 14 ALS H rr_6pqf 1
18 1 . 2 . 1 1 14 14 ALA MB H . . . . 14 ALS HB1 rr_6pqf 1
19 1 . 1 . 1 1 14 14 ALA H H . . . . 14 ALS H rr_6pqf 1
19 1 . 2 . 1 1 14 14 ALA MB H . . . . 14 ALS HB2 rr_6pqf 1
20 1 . 1 . 1 1 13 13 ALA H H . . . . 13 ALA H rr_6pqf 1
20 1 . 2 . 1 1 13 13 ALA MB H . . . . 13 ALA HB1 rr_6pqf 1
21 2 . 1 . 1 1 19 19 SER H H . . . . 19 SER H rr_6pqf 1
21 2 . 2 . 1 1 19 19 SER HB2 H . . . . 19 SER QB rr_6pqf 1
21 3 . 1 . 1 1 19 19 SER H H . . . . 19 SER H rr_6pqf 1
21 3 . 2 . 1 1 19 19 SER HB3 H . . . . 19 SER QB rr_6pqf 1
22 1 . 1 . 1 1 9 9 ALA MB H . . . . 9 ALA QB rr_6pqf 1
22 1 . 2 . 1 1 10 10 LYS H H . . . . 10 LYS H rr_6pqf 1
23 1 . 1 . 1 1 9 9 ALA HA H . . . . 9 ALA HA rr_6pqf 1
23 1 . 2 . 1 1 10 10 LYS H H . . . . 10 LYS H rr_6pqf 1
24 1 . 1 . 1 1 9 9 ALA H H . . . . 9 ALA H rr_6pqf 1
24 1 . 2 . 1 1 14 14 ALA MB H . . . . 14 ALS HB1 rr_6pqf 1
25 1 . 1 . 1 1 9 9 ALA H H . . . . 9 ALA H rr_6pqf 1
25 1 . 2 . 1 1 14 14 ALA MB H . . . . 14 ALS HB2 rr_6pqf 1
26 1 . 1 . 1 1 8 8 CYS HB3 H . . . . 8 CYS HB3 rr_6pqf 1
26 1 . 2 . 1 1 9 9 ALA H H . . . . 9 ALA H rr_6pqf 1
27 1 . 1 . 1 1 14 14 ALA MB H . . . . 14 ALS HB1 rr_6pqf 1
27 1 . 2 . 1 1 15 15 SER H H . . . . 15 SER H rr_6pqf 1
28 1 . 1 . 1 1 17 17 ALA MB H . . . . 17 ALA QB rr_6pqf 1
28 1 . 2 . 1 1 19 19 SER H H . . . . 19 SER H rr_6pqf 1
29 1 . 1 . 1 1 15 15 SER HB2 H . . . . 15 SER HB2 rr_6pqf 1
29 1 . 2 . 1 1 16 16 CYS H H . . . . 16 CYS H rr_6pqf 1
30 1 . 1 . 1 1 15 15 SER HB3 H . . . . 15 SER HB3 rr_6pqf 1
30 1 . 2 . 1 1 16 16 CYS H H . . . . 16 CYS H rr_6pqf 1
31 1 . 1 . 1 1 17 17 ALA MB H . . . . 17 ALA QB rr_6pqf 1
31 1 . 2 . 1 1 18 18 ALA H H . . . . 18 ALS H rr_6pqf 1
32 1 . 1 . 1 1 18 18 ALA MB H . . . . 18 ALS HB1 rr_6pqf 1
32 1 . 2 . 1 1 19 19 SER H H . . . . 19 SER H rr_6pqf 1
33 1 . 1 . 1 1 17 17 ALA MB H . . . . 17 ALA HB1 rr_6pqf 1
33 1 . 2 . 1 1 18 18 ALA H H . . . . 18 ALS H rr_6pqf 1
34 1 . 1 . 1 1 17 17 ALA MB H . . . . 17 ALA HB2 rr_6pqf 1
34 1 . 2 . 1 1 18 18 ALA H H . . . . 18 ALS H rr_6pqf 1
35 1 . 1 . 1 1 17 17 ALA MB H . . . . 17 ALA HB3 rr_6pqf 1
35 1 . 2 . 1 1 18 18 ALA H H . . . . 18 ALS H rr_6pqf 1
36 1 . 1 . 1 1 13 13 ALA MB H . . . . 13 ALA HB1 rr_6pqf 1
36 1 . 2 . 1 1 14 14 ALA H H . . . . 14 ALS H rr_6pqf 1
37 1 . 1 . 1 1 13 13 ALA MB H . . . . 13 ALA HB2 rr_6pqf 1
37 1 . 2 . 1 1 14 14 ALA H H . . . . 14 ALS H rr_6pqf 1
38 1 . 1 . 1 1 8 8 CYS HB2 H . . . . 8 CYS HB2 rr_6pqf 1
38 1 . 2 . 1 1 9 9 ALA H H . . . . 9 ALA H rr_6pqf 1
39 1 . 1 . 1 1 18 18 ALA MB H . . . . 18 ALS HB2 rr_6pqf 1
39 1 . 2 . 1 1 19 19 SER H H . . . . 19 SER H rr_6pqf 1
40 1 . 1 . 1 1 18 18 ALA H H . . . . 18 ALS H rr_6pqf 1
40 1 . 2 . 1 1 18 18 ALA MB H . . . . 18 ALS HB2 rr_6pqf 1
41 1 . 1 . 1 1 12 12 CYS HA H . . . . 12 CYS HA rr_6pqf 1
41 1 . 2 . 1 1 14 14 ALA H H . . . . 14 ALS H rr_6pqf 1
42 1 . 1 . 1 1 10 10 LYS H H . . . . 10 LYS H rr_6pqf 1
42 1 . 2 . 1 1 10 10 LYS HB2 H . . . . 10 LYS HB2 rr_6pqf 1
43 1 . 1 . 1 1 10 10 LYS H H . . . . 10 LYS H rr_6pqf 1
43 1 . 2 . 1 1 10 10 LYS HB3 H . . . . 10 LYS HB3 rr_6pqf 1
44 1 . 1 . 1 1 10 10 LYS H H . . . . 10 LYS H rr_6pqf 1
44 1 . 2 . 1 1 10 10 LYS HG2 H . . . . 10 LYS HG2 rr_6pqf 1
45 1 . 1 . 1 1 10 10 LYS H H . . . . 10 LYS H rr_6pqf 1
45 1 . 2 . 1 1 10 10 LYS HG3 H . . . . 10 LYS HG3 rr_6pqf 1
46 1 . 1 . 1 1 14 14 ALA MB H . . . . 14 ALS HB2 rr_6pqf 1
46 1 . 2 . 1 1 15 15 SER H H . . . . 15 SER H rr_6pqf 1
47 1 . 1 . 1 1 12 12 CYS HA H . . . . 12 CYS HA rr_6pqf 1
47 1 . 2 . 1 1 16 16 CYS H H . . . . 16 CYS H rr_6pqf 1
48 1 . 1 . 1 1 13 13 ALA H H . . . . 13 ALA H rr_6pqf 1
48 1 . 2 . 1 1 14 14 ALA H H . . . . 14 ALS H rr_6pqf 1
49 1 . 1 . 1 1 15 15 SER H H . . . . 15 SER H rr_6pqf 1
49 1 . 2 . 1 1 16 16 CYS H H . . . . 16 CYS H rr_6pqf 1
50 1 . 1 . 1 1 17 17 ALA H H . . . . 17 ALA H rr_6pqf 1
50 1 . 2 . 1 1 18 18 ALA H H . . . . 18 ALS H rr_6pqf 1
51 1 . 1 . 1 1 7 7 GLY H H . . . . 7 GLY H rr_6pqf 1
51 1 . 2 . 1 1 8 8 CYS H H . . . . 8 CYS H rr_6pqf 1
52 1 . 1 . 1 1 8 8 CYS H H . . . . 8 CYS H rr_6pqf 1
52 1 . 2 . 1 1 9 9 ALA H H . . . . 9 ALA H rr_6pqf 1
53 1 . 1 . 1 1 9 9 ALA MB H . . . . 9 ALA HB1 rr_6pqf 1
53 1 . 2 . 1 1 14 14 ALA H H . . . . 14 ALS H rr_6pqf 1
54 1 . 1 . 1 1 17 17 ALA H H . . . . 17 ALA H rr_6pqf 1
54 1 . 2 . 1 1 17 17 ALA MB H . . . . 17 ALA HB2 rr_6pqf 1
55 1 . 1 . 1 1 17 17 ALA H H . . . . 17 ALA H rr_6pqf 1
55 1 . 2 . 1 1 17 17 ALA MB H . . . . 17 ALA HB3 rr_6pqf 1
56 1 . 1 . 1 1 18 18 ALA H H . . . . 18 ALS H rr_6pqf 1
56 1 . 2 . 1 1 18 18 ALA MB H . . . . 18 ALS HB1 rr_6pqf 1
57 1 . 1 . 1 1 14 14 ALA H H . . . . 14 ALS H rr_6pqf 1
57 1 . 2 . 1 1 15 15 SER H H . . . . 15 SER H rr_6pqf 1
58 2 . 1 . 1 1 2 2 CYS HB2 H . . . . 2 CYS QB rr_6pqf 1
58 2 . 2 . 1 1 14 14 ALA HA H . . . . 14 ALS HA rr_6pqf 1
58 3 . 1 . 1 1 2 2 CYS HB3 H . . . . 2 CYS QB rr_6pqf 1
58 3 . 2 . 1 1 14 14 ALA HA H . . . . 14 ALS HA rr_6pqf 1
59 2 . 1 . 1 1 2 2 CYS HB2 H . . . . 2 CYS QB rr_6pqf 1
59 2 . 2 . 1 1 14 14 ALA MB H . . . . 14 ALS HB1 rr_6pqf 1
59 3 . 1 . 1 1 2 2 CYS HB3 H . . . . 2 CYS QB rr_6pqf 1
59 3 . 2 . 1 1 14 14 ALA MB H . . . . 14 ALS HB1 rr_6pqf 1
60 2 . 1 . 1 1 2 2 CYS HB3 H . . . . 2 CYS QB rr_6pqf 1
60 2 . 2 . 1 1 14 14 ALA MB H . . . . 14 ALS HB2 rr_6pqf 1
60 3 . 1 . 1 1 2 2 CYS HB2 H . . . . 2 CYS QB rr_6pqf 1
60 3 . 2 . 1 1 14 14 ALA MB H . . . . 14 ALS HB2 rr_6pqf 1
61 2 . 1 . 1 1 8 8 CYS H H . . . . 8 CYS H rr_6pqf 1
61 2 . 2 . 1 1 8 8 CYS HB3 H . . . . 8 CYS QB rr_6pqf 1
61 3 . 1 . 1 1 8 8 CYS H H . . . . 8 CYS H rr_6pqf 1
61 3 . 2 . 1 1 8 8 CYS HB2 H . . . . 8 CYS QB rr_6pqf 1
62 2 . 1 . 1 1 8 8 CYS HB3 H . . . . 8 CYS QB rr_6pqf 1
62 2 . 2 . 1 1 9 9 ALA H H . . . . 9 ALA H rr_6pqf 1
62 3 . 1 . 1 1 8 8 CYS HB2 H . . . . 8 CYS QB rr_6pqf 1
62 3 . 2 . 1 1 9 9 ALA H H . . . . 9 ALA H rr_6pqf 1
63 2 . 1 . 1 1 8 8 CYS HB3 H . . . . 8 CYS QB rr_6pqf 1
63 2 . 2 . 1 1 14 14 ALA MB H . . . . 14 ALS HB1 rr_6pqf 1
63 3 . 1 . 1 1 8 8 CYS HB2 H . . . . 8 CYS QB rr_6pqf 1
63 3 . 2 . 1 1 14 14 ALA MB H . . . . 14 ALS HB1 rr_6pqf 1
64 2 . 1 . 1 1 8 8 CYS HB3 H . . . . 8 CYS QB rr_6pqf 1
64 2 . 2 . 1 1 15 15 SER HB3 H . . . . 15 SER QB rr_6pqf 1
64 3 . 1 . 1 1 8 8 CYS HB3 H . . . . 8 CYS QB rr_6pqf 1
64 3 . 2 . 1 1 15 15 SER HB2 H . . . . 15 SER QB rr_6pqf 1
64 4 . 1 . 1 1 8 8 CYS HB2 H . . . . 8 CYS QB rr_6pqf 1
64 4 . 2 . 1 1 15 15 SER HB2 H . . . . 15 SER QB rr_6pqf 1
64 5 . 1 . 1 1 8 8 CYS HB2 H . . . . 8 CYS QB rr_6pqf 1
64 5 . 2 . 1 1 15 15 SER HB3 H . . . . 15 SER QB rr_6pqf 1
65 2 . 1 . 1 1 10 10 LYS H H . . . . 10 LYS H rr_6pqf 1
65 2 . 2 . 1 1 10 10 LYS HB3 H . . . . 10 LYS QB rr_6pqf 1
65 3 . 1 . 1 1 10 10 LYS H H . . . . 10 LYS H rr_6pqf 1
65 3 . 2 . 1 1 10 10 LYS HB2 H . . . . 10 LYS QB rr_6pqf 1
66 2 . 1 . 1 1 10 10 LYS H H . . . . 10 LYS H rr_6pqf 1
66 2 . 2 . 1 1 10 10 LYS HG3 H . . . . 10 LYS QG rr_6pqf 1
66 3 . 1 . 1 1 10 10 LYS H H . . . . 10 LYS H rr_6pqf 1
66 3 . 2 . 1 1 10 10 LYS HG2 H . . . . 10 LYS QG rr_6pqf 1
67 2 . 1 . 1 1 10 10 LYS H H . . . . 10 LYS H rr_6pqf 1
67 2 . 2 . 1 1 10 10 LYS HD3 H . . . . 10 LYS QD rr_6pqf 1
67 3 . 1 . 1 1 10 10 LYS H H . . . . 10 LYS H rr_6pqf 1
67 3 . 2 . 1 1 10 10 LYS HD2 H . . . . 10 LYS QD rr_6pqf 1
68 2 . 1 . 1 1 10 10 LYS HA H . . . . 10 LYS HA rr_6pqf 1
68 2 . 2 . 1 1 15 15 SER HB3 H . . . . 15 SER QB rr_6pqf 1
68 3 . 1 . 1 1 10 10 LYS HA H . . . . 10 LYS HA rr_6pqf 1
68 3 . 2 . 1 1 15 15 SER HB2 H . . . . 15 SER QB rr_6pqf 1
69 2 . 1 . 1 1 12 12 CYS HA H . . . . 12 CYS HA rr_6pqf 1
69 2 . 2 . 1 1 16 16 CYS HB2 H . . . . 16 CYS QB rr_6pqf 1
69 3 . 1 . 1 1 12 12 CYS HA H . . . . 12 CYS HA rr_6pqf 1
69 3 . 2 . 1 1 16 16 CYS HB3 H . . . . 16 CYS QB rr_6pqf 1
70 2 . 1 . 1 1 15 15 SER HB3 H . . . . 15 SER QB rr_6pqf 1
70 2 . 2 . 1 1 16 16 CYS H H . . . . 16 CYS H rr_6pqf 1
70 3 . 1 . 1 1 15 15 SER HB2 H . . . . 15 SER QB rr_6pqf 1
70 3 . 2 . 1 1 16 16 CYS H H . . . . 16 CYS H rr_6pqf 1
71 2 . 1 . 1 1 16 16 CYS H H . . . . 16 CYS H rr_6pqf 1
71 2 . 2 . 1 1 16 16 CYS HB2 H . . . . 16 CYS QB rr_6pqf 1
71 3 . 1 . 1 1 16 16 CYS H H . . . . 16 CYS H rr_6pqf 1
71 3 . 2 . 1 1 16 16 CYS HB3 H . . . . 16 CYS QB rr_6pqf 1
72 2 . 1 . 1 1 16 16 CYS HB2 H . . . . 16 CYS QB rr_6pqf 1
72 2 . 2 . 1 1 17 17 ALA H H . . . . 17 ALA H rr_6pqf 1
72 3 . 1 . 1 1 16 16 CYS HB3 H . . . . 16 CYS QB rr_6pqf 1
72 3 . 2 . 1 1 17 17 ALA H H . . . . 17 ALA H rr_6pqf 1
73 2 . 1 . 1 1 16 16 CYS HB2 H . . . . 16 CYS QB rr_6pqf 1
73 2 . 2 . 1 1 17 17 ALA HA H . . . . 17 ALA HA rr_6pqf 1
73 3 . 1 . 1 1 16 16 CYS HB3 H . . . . 16 CYS QB rr_6pqf 1
73 3 . 2 . 1 1 17 17 ALA HA H . . . . 17 ALA HA rr_6pqf 1
74 2 . 1 . 1 1 16 16 CYS HB2 H . . . . 16 CYS QB rr_6pqf 1
74 2 . 2 . 1 1 18 18 ALA H H . . . . 18 ALS H rr_6pqf 1
74 3 . 1 . 1 1 16 16 CYS HB3 H . . . . 16 CYS QB rr_6pqf 1
74 3 . 2 . 1 1 18 18 ALA H H . . . . 18 ALS H rr_6pqf 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . . . 4.72 rr_6pqf 1
2 1 . . . . . . . . 5.04 rr_6pqf 1
3 2 . . . . . . . . 4.42 rr_6pqf 1
3 3 . . . . . . . . 4.42 rr_6pqf 1
4 1 . . . . . . . . 5.50 rr_6pqf 1
5 1 . . . . . . . . 5.50 rr_6pqf 1
6 1 . . . . . . . . 5.20 rr_6pqf 1
7 1 . . . . . . . . 5.50 rr_6pqf 1
8 1 . . . . . . . . 5.50 rr_6pqf 1
9 1 . . . . . . . . 5.20 rr_6pqf 1
10 1 . . . . . . . . 5.50 rr_6pqf 1
11 1 . . . . . . . . 5.50 rr_6pqf 1
12 1 . . . . . . . . 5.20 rr_6pqf 1
13 1 . . . . . . . . 2.94 rr_6pqf 1
14 1 . . . . . . . . 3.07 rr_6pqf 1
15 1 . . . . . . . . 3.52 rr_6pqf 1
16 1 . . . . . . . . 3.52 rr_6pqf 1
17 1 . . . . . . . . 3.70 rr_6pqf 1
18 1 . . . . . . . . 3.70 rr_6pqf 1
19 1 . . . . . . . . 3.76 rr_6pqf 1
20 1 . . . . . . . . 3.81 rr_6pqf 1
21 2 . . . . . . . . 4.02 rr_6pqf 1
21 3 . . . . . . . . 4.02 rr_6pqf 1
22 1 . . . . . . . . 3.45 rr_6pqf 1
23 1 . . . . . . . . 2.84 rr_6pqf 1
24 1 . . . . . . . . 3.70 rr_6pqf 1
25 1 . . . . . . . . 4.02 rr_6pqf 1
26 1 . . . . . . . . 4.54 rr_6pqf 1
27 1 . . . . . . . . 4.57 rr_6pqf 1
28 1 . . . . . . . . 4.49 rr_6pqf 1
29 1 . . . . . . . . 5.14 rr_6pqf 1
30 1 . . . . . . . . 5.14 rr_6pqf 1
31 1 . . . . . . . . 3.64 rr_6pqf 1
32 1 . . . . . . . . 4.00 rr_6pqf 1
33 1 . . . . . . . . 5.19 rr_6pqf 1
34 1 . . . . . . . . 5.50 rr_6pqf 1
35 1 . . . . . . . . 5.50 rr_6pqf 1
36 1 . . . . . . . . 4.68 rr_6pqf 1
37 1 . . . . . . . . 4.98 rr_6pqf 1
38 1 . . . . . . . . 4.54 rr_6pqf 1
39 1 . . . . . . . . 4.05 rr_6pqf 1
40 1 . . . . . . . . 3.73 rr_6pqf 1
41 1 . . . . . . . . 3.95 rr_6pqf 1
42 1 . . . . . . . . 3.71 rr_6pqf 1
43 1 . . . . . . . . 3.71 rr_6pqf 1
44 1 . . . . . . . . 4.75 rr_6pqf 1
45 1 . . . . . . . . 4.75 rr_6pqf 1
46 1 . . . . . . . . 5.15 rr_6pqf 1
47 1 . . . . . . . . 4.06 rr_6pqf 1
48 1 . . . . . . . . 4.58 rr_6pqf 1
49 1 . . . . . . . . 3.63 rr_6pqf 1
50 1 . . . . . . . . 4.33 rr_6pqf 1
51 1 . . . . . . . . 3.91 rr_6pqf 1
52 1 . . . . . . . . 5.03 rr_6pqf 1
53 1 . . . . . . . . 5.00 rr_6pqf 1
54 1 . . . . . . . . 4.11 rr_6pqf 1
55 1 . . . . . . . . 4.17 rr_6pqf 1
56 1 . . . . . . . . 3.69 rr_6pqf 1
57 1 . . . . . . . . 5.21 rr_6pqf 1
58 2 . . . . . . . . 3.47 rr_6pqf 1
58 3 . . . . . . . . 3.47 rr_6pqf 1
59 2 . . . . . . . . 4.12 rr_6pqf 1
59 3 . . . . . . . . 4.12 rr_6pqf 1
60 2 . . . . . . . . 3.85 rr_6pqf 1
60 3 . . . . . . . . 3.85 rr_6pqf 1
61 2 . . . . . . . . 2.98 rr_6pqf 1
61 3 . . . . . . . . 2.98 rr_6pqf 1
62 2 . . . . . . . . 3.91 rr_6pqf 1
62 3 . . . . . . . . 3.91 rr_6pqf 1
63 2 . . . . . . . . 5.10 rr_6pqf 1
63 3 . . . . . . . . 5.10 rr_6pqf 1
64 2 . . . . . . . . 4.76 rr_6pqf 1
64 3 . . . . . . . . 4.76 rr_6pqf 1
64 4 . . . . . . . . 4.76 rr_6pqf 1
64 5 . . . . . . . . 4.76 rr_6pqf 1
65 2 . . . . . . . . 3.02 rr_6pqf 1
65 3 . . . . . . . . 3.02 rr_6pqf 1
66 2 . . . . . . . . 4.07 rr_6pqf 1
66 3 . . . . . . . . 4.07 rr_6pqf 1
67 2 . . . . . . . . 4.84 rr_6pqf 1
67 3 . . . . . . . . 4.84 rr_6pqf 1
68 2 . . . . . . . . 4.55 rr_6pqf 1
68 3 . . . . . . . . 4.55 rr_6pqf 1
69 2 . . . . . . . . 3.59 rr_6pqf 1
69 3 . . . . . . . . 3.59 rr_6pqf 1
70 2 . . . . . . . . 4.48 rr_6pqf 1
70 3 . . . . . . . . 4.48 rr_6pqf 1
71 2 . . . . . . . . 3.09 rr_6pqf 1
71 3 . . . . . . . . 3.09 rr_6pqf 1
72 2 . . . . . . . . 3.87 rr_6pqf 1
72 3 . . . . . . . . 3.87 rr_6pqf 1
73 2 . . . . . . . . 5.34 rr_6pqf 1
73 3 . . . . . . . . 5.34 rr_6pqf 1
74 2 . . . . . . . . 3.75 rr_6pqf 1
74 3 . . . . . . . . 3.75 rr_6pqf 1
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 "Restraints file 1: final.upl" 1 1 1 30 rr_6pqf 1
2 "peak 24" 2 49 2 59 rr_6pqf 1
3 "peak 39 #SUP 0.97 #QF 0.89" 3 49 3 81 rr_6pqf 1
4 "peak 41" 4 49 4 59 rr_6pqf 1
5 "peak 42" 5 49 5 59 rr_6pqf 1
6 "peak 49" 6 49 6 59 rr_6pqf 1
7 "peak 56 #SUP 1.00 #QF 0.96" 7 49 7 81 rr_6pqf 1
8 "peak 56 #SUP 1.00 #QF 0.96" 8 49 8 81 rr_6pqf 1
9 "peak 68 #SUP 0.88 #QF 0.88" 9 49 9 81 rr_6pqf 1
10 "peak 69 #SUP 0.60 #QF 0.35" 10 49 10 81 rr_6pqf 1
11 "peak 69 #SUP 0.60 #QF 0.35" 11 49 11 81 rr_6pqf 1
12 "peak 93 #SUP 1.00" 12 49 12 70 rr_6pqf 1
13 "peak 108 #SUP 0.93 #QF 0.93" 13 49 13 81 rr_6pqf 1
14 "peak 115 #SUP 0.88 #QF 0.88" 14 49 14 81 rr_6pqf 1
15 "peak 118 #SUP 0.69 #QF 0.69" 15 49 15 81 rr_6pqf 1
16 "peak 2 #SUP 0.84 #QF 0.54" 16 49 16 81 rr_6pqf 1
17 "peak 3" 17 49 17 59 rr_6pqf 1
18 "peak 7" 18 49 18 59 rr_6pqf 1
19 "peak 8" 19 49 19 59 rr_6pqf 1
20 "peak 13" 20 49 20 59 rr_6pqf 1
21 "peak 14" 21 49 21 59 rr_6pqf 1
22 "peak 15" 22 49 22 59 rr_6pqf 1
23 "peak 16" 23 49 23 59 rr_6pqf 1
24 "peak 18" 24 49 24 59 rr_6pqf 1
25 "peak 20" 25 49 25 59 rr_6pqf 1
26 "peak 22 #SUP 0.45 #QF 0.45" 26 49 26 81 rr_6pqf 1
27 "peak 24 #SUP 0.94 #QF 0.94" 27 49 27 81 rr_6pqf 1
28 "peak 25 #SUP 0.93 #QF 0.93" 28 49 28 81 rr_6pqf 1
29 "peak 27 #SUP 0.99 #QF 0.99" 29 49 29 81 rr_6pqf 1
30 "peak 28 #SUP 0.76 #QF 0.76" 30 49 30 81 rr_6pqf 1
31 "peak 29" 31 49 31 59 rr_6pqf 1
32 "peak 30" 32 49 32 59 rr_6pqf 1
33 "peak 32 #SUP 0.99 #QF 0.99" 33 49 33 81 rr_6pqf 1
34 "peak 33 #SUP 0.97 #QF 0.97" 34 49 34 81 rr_6pqf 1
35 "peak 34 #SUP 0.91 #QF 0.91" 35 49 35 81 rr_6pqf 1
36 "peak 40" 36 49 36 59 rr_6pqf 1
37 "peak 44 #SUP 0.81 #QF 0.81" 37 49 37 81 rr_6pqf 1
38 "peak 45 #SUP 0.59 #QF 0.59" 38 49 38 81 rr_6pqf 1
39 "peak 47 #SUP 0.90 #QF 0.90" 39 49 39 81 rr_6pqf 1
40 "peak 48 #SUP 1.00 #QF 0.97" 40 49 40 81 rr_6pqf 1
41 "peak 48 #SUP 1.00 #QF 0.97" 41 49 41 81 rr_6pqf 1
42 "peak 48 #SUP 1.00 #QF 0.97" 42 49 42 81 rr_6pqf 1
43 "peak 51 #SUP 0.92 #QF 0.50" 43 49 43 81 rr_6pqf 1
44 "peak 51 #SUP 0.92 #QF 0.50" 44 49 44 81 rr_6pqf 1
45 "peak 52 #SUP 0.77 #QF 0.77" 45 49 45 81 rr_6pqf 1
46 "peak 55 #SUP 0.94 #QF 0.94" 46 49 46 81 rr_6pqf 1
47 "peak 58 #SUP 0.91 #QF 0.91" 47 49 47 81 rr_6pqf 1
48 "peak 64 #SUP 0.74 #QF 0.74" 48 49 48 81 rr_6pqf 1
49 "peak 69 #SUP 0.81 #QF 0.44" 49 49 49 81 rr_6pqf 1
50 "peak 69 #SUP 0.81 #QF 0.44" 50 49 50 81 rr_6pqf 1
51 "peak 70 #SUP 0.66 #QF 0.57" 51 49 51 81 rr_6pqf 1
52 "peak 70 #SUP 0.66 #QF 0.57" 52 49 52 81 rr_6pqf 1
53 "peak 72 #SUP 0.79 #QF 0.51" 53 49 53 81 rr_6pqf 1
54 "peak 72 #SUP 0.79 #QF 0.51" 54 49 54 81 rr_6pqf 1
55 "peak 74 #SUP 0.94 #QF 0.94" 55 49 55 81 rr_6pqf 1
56 "peak 75 #SUP 0.77 #QF 0.53" 56 49 56 81 rr_6pqf 1
57 "peak 75 #SUP 0.77 #QF 0.53" 57 49 57 81 rr_6pqf 1
58 "peak 76 #SUP 0.94 #QF 0.94" 58 49 58 81 rr_6pqf 1
59 "peak 77 #SUP 0.80 #QF 0.47" 59 49 59 81 rr_6pqf 1
60 "peak 77 #SUP 0.80 #QF 0.47" 60 49 60 81 rr_6pqf 1
61 "peak 77 #SUP 0.80 #QF 0.47" 61 49 61 81 rr_6pqf 1
62 "peak 78 #SUP 0.70 #QF 0.55" 62 49 62 81 rr_6pqf 1
63 "peak 78 #SUP 0.70 #QF 0.55" 63 49 63 81 rr_6pqf 1
64 "peak 79 #SUP 0.58 #QF 0.58" 64 49 64 81 rr_6pqf 1
65 "peak 80 #SUP 0.93 #QF 0.93" 65 49 65 81 rr_6pqf 1
66 "peak 83 #SUP 0.98 #QF 0.98" 66 49 66 81 rr_6pqf 1
67 "peak 85 #SUP 0.47 #QF 0.47" 67 49 67 81 rr_6pqf 1
68 "peak 86" 68 49 68 59 rr_6pqf 1
69 "peak 87 #SUP 0.83 #QF 0.83" 69 49 69 81 rr_6pqf 1
70 "peak 88 #SUP 0.84 #QF 0.84" 70 49 70 81 rr_6pqf 1
71 "peak 90 #SUP 1.00" 71 49 71 70 rr_6pqf 1
72 "peak 91 #SUP 0.88 #QF 0.88" 72 49 72 81 rr_6pqf 1
73 "peak 92 #SUP 0.70 #QF 0.70" 73 49 73 81 rr_6pqf 1
74 "peak 94 #SUP 0.99 #QF 0.75" 74 49 74 81 rr_6pqf 1
75 "peak 94 #SUP 0.99 #QF 0.75" 75 49 75 81 rr_6pqf 1
76 "peak 95" 76 49 76 59 rr_6pqf 1
77 "peak 103 #SUP 0.96 #QF 0.96" 77 49 77 81 rr_6pqf 1
78 "peak 97" 78 49 78 59 rr_6pqf 1
79 "peak 100" 79 49 79 59 rr_6pqf 1
80 "peak 85" 80 49 80 59 rr_6pqf 1
81 "peak 61" 81 49 81 59 rr_6pqf 1
82 "peak 82" 82 49 82 59 rr_6pqf 1
83 "peak 41" 83 49 83 59 rr_6pqf 1
84 "peak 37" 84 49 84 59 rr_6pqf 1
85 "peak 33" 85 49 85 59 rr_6pqf 1
86 "peak 74" 86 49 86 59 rr_6pqf 1
87 "peak 44" 87 49 87 59 rr_6pqf 1
88 "peak 68" 88 49 88 59 rr_6pqf 1
89 "peak 78" 89 49 89 59 rr_6pqf 1
90 "peak 7" 90 49 90 59 rr_6pqf 1
91 "peak 27" 91 49 91 59 rr_6pqf 1
92 "peak 66" 92 49 92 59 rr_6pqf 1
93 "peak 103" 93 49 93 59 rr_6pqf 1
94 "peak 70" 94 49 94 59 rr_6pqf 1
95 "peak 72" 95 49 95 59 rr_6pqf 1
96 "peak 1" 96 49 96 59 rr_6pqf 1
97 "peak 68" 97 49 97 59 rr_6pqf 1
98 "peak 69" 98 49 98 59 rr_6pqf 1
99 "peak 29" 99 49 99 59 rr_6pqf 1
100 "peak 45" 100 49 100 59 rr_6pqf 1
101 "peak 32" 101 49 101 59 rr_6pqf 1
102 "peak 17" 102 49 102 59 rr_6pqf 1
103 "peak 96" 103 49 103 59 rr_6pqf 1
104 "peak 46" 104 49 104 59 rr_6pqf 1
105 "peak 39" 105 49 105 59 rr_6pqf 1
stop_
loop_
_Dist_constraint_conv_err.ID
_Dist_constraint_conv_err.Dist_constraint_parse_file_ID
_Dist_constraint_conv_err.Parse_file_constraint_ID
_Dist_constraint_conv_err.Conv_error_type
_Dist_constraint_conv_err.Conv_error_note
_Dist_constraint_conv_err.Entry_ID
_Dist_constraint_conv_err.Distance_constraint_list_ID
1 2 3 1 "Not handling restraint 3, item 1, resonance(s) ' .4.HB' (nmrStar names) not linked" rr_6pqf 1
2 2 4 1 "Not handling restraint 4, item 1, resonance(s) ' .4.HB' (nmrStar names) not linked" rr_6pqf 1
3 2 30 1 "Not handling restraint 30, item 1, resonance(s) ' .6.QB' (nmrStar names) not linked" rr_6pqf 1
4 2 34 1 "Not handling restraint 34, item 1, resonance(s) ' .11.HB' (nmrStar names) not linked" rr_6pqf 1
5 2 36 1 "Not handling restraint 36, item 1, resonance(s) ' .6.H' (nmrStar names) not linked" rr_6pqf 1
6 2 37 1 "Not handling restraint 37, item 1, resonance(s) ' .6.H' (nmrStar names),' .4.HG21' (nmrStar names) not linked" rr_6pqf 1
7 2 48 1 "Not handling restraint 48, item 1, resonance(s) ' .11.H' (nmrStar names) not linked" rr_6pqf 1
8 2 49 1 "Not handling restraint 49, item 1, resonance(s) ' .11.H' (nmrStar names) not linked" rr_6pqf 1
9 2 55 1 "Not handling restraint 55, item 1, resonance(s) ' .11.H' (nmrStar names) not linked" rr_6pqf 1
10 2 56 1 "Not handling restraint 56, item 1, resonance(s) ' .11.H' (nmrStar names) not linked" rr_6pqf 1
11 2 58 1 "Not handling restraint 58, item 1, resonance(s) ' .11.HG21' (nmrStar names) not linked" rr_6pqf 1
12 2 59 1 "Not handling restraint 59, item 1, resonance(s) ' .11.HG22' (nmrStar names) not linked" rr_6pqf 1
13 2 60 1 "Not handling restraint 60, item 1, resonance(s) ' .11.HG23' (nmrStar names) not linked" rr_6pqf 1
14 2 61 1 "Not handling restraint 61, item 1, resonance(s) ' .6.HB2' (nmrStar names) not linked" rr_6pqf 1
15 2 62 1 "Not handling restraint 62, item 1, resonance(s) ' .6.HB3' (nmrStar names) not linked" rr_6pqf 1
16 2 63 1 "Not handling restraint 63, item 1, resonance(s) ' .4.HG21' (nmrStar names) not linked" rr_6pqf 1
17 2 64 1 "Not handling restraint 64, item 1, resonance(s) ' .6.H' (nmrStar names) not linked" rr_6pqf 1
18 2 70 1 "Not handling restraint 70, item 1, resonance(s) ' .6.H' (nmrStar names) not linked" rr_6pqf 1
19 2 71 1 "Not handling restraint 71, item 1, resonance(s) ' .6.H' (nmrStar names) not linked" rr_6pqf 1
20 2 77 1 "Not handling restraint 77, item 1, resonance(s) ' .4.H' (nmrStar names) not linked" rr_6pqf 1
21 2 77 1 "Not handling restraint 77, item 1, resonance(s) ' .4.H' (nmrStar names) not linked" rr_6pqf 1
22 2 81 1 "Not handling restraint 81, item 1, resonance(s) ' .4.H' (nmrStar names) not linked" rr_6pqf 1
23 2 81 1 "Not handling restraint 81, item 1, resonance(s) ' .4.H' (nmrStar names) not linked" rr_6pqf 1
24 2 82 1 "Not handling restraint 82, item 1, resonance(s) ' .4.HB' (nmrStar names) not linked" rr_6pqf 1
25 2 82 1 "Not handling restraint 82, item 1, resonance(s) ' .4.HB' (nmrStar names) not linked" rr_6pqf 1
26 2 83 1 "Not handling restraint 83, item 1, resonance(s) ' .4.HG21' (nmrStar names) not linked" rr_6pqf 1
27 2 83 1 "Not handling restraint 83, item 1, resonance(s) ' .4.HG21' (nmrStar names) not linked" rr_6pqf 1
28 2 84 1 "Not handling restraint 84, item 1, resonance(s) ' .4.HG23' (nmrStar names) not linked" rr_6pqf 1
29 2 84 1 "Not handling restraint 84, item 1, resonance(s) ' .4.HG23' (nmrStar names) not linked" rr_6pqf 1
30 2 85 1 "Not handling restraint 85, item 1, resonance(s) ' .4.HG23' (nmrStar names) not linked" rr_6pqf 1
31 2 85 1 "Not handling restraint 85, item 1, resonance(s) ' .4.HG23' (nmrStar names) not linked" rr_6pqf 1
32 2 86 1 "Not handling restraint 86, item 1, resonance(s) ' .6.H' (nmrStar names) not linked" rr_6pqf 1
33 2 86 1 "Not handling restraint 86, item 1, resonance(s) ' .6.H' (nmrStar names) not linked" rr_6pqf 1
34 2 87 1 "Not handling restraint 87, item 1, resonance(s) ' .6.QB' (nmrStar names) not linked" rr_6pqf 1
35 2 88 1 "Not handling restraint 88, item 1, resonance(s) ' .6.QB' (nmrStar names) not linked" rr_6pqf 1
36 2 97 1 "Not handling restraint 97, item 1, resonance(s) ' .11.H' (nmrStar names) not linked" rr_6pqf 1
37 2 97 1 "Not handling restraint 97, item 1, resonance(s) ' .11.H' (nmrStar names) not linked" rr_6pqf 1
38 2 98 1 "Not handling restraint 98, item 1, resonance(s) ' .11.HB' (nmrStar names) not linked" rr_6pqf 1
39 2 98 1 "Not handling restraint 98, item 1, resonance(s) ' .11.HB' (nmrStar names) not linked" rr_6pqf 1
stop_
save_
save_MR_file_comment_1
_Org_constr_file_comment.Sf_framecode MR_file_comment_1
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_6pqf
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 1
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment "*HEADER RIBOSOMAL PROTEIN 09-JUL-19 6PQF *TITLE SOLUTION STRUCTURE OF OLVA(BCS) *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: OLVA(BCS); *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES OLIVACEUS; *SOURCE 3 ORGANISM_TAXID: 47716; *SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562 *KEYWDS LANTHIPEPTIDE, RIPPS, RIBOSOMAL PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR J.Z.ACEDO,W.A.VAN DER DONK *REVDAT 1 23-OCT-19 6PQF 0"
save_
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