NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
532064 |
2l2y   |
17155 | cing | 3-converted-DOCR | STAR | entry | full | 142 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_2l2y
# This DOCR archive file contains, for PDB entry <2l2y>:
#
# - 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_2l2y
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 2l2y"
_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 2l2y"
_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 2l2y "Master copy" rr_2l2y
stop_
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_2l2y
_Assembly.ID 1
_Assembly.Name 2l2y
_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 1712.8525
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 Thiostrepton 1 $Thiostrepton A . no . . . . . . rr_2l2y 1
stop_
save_
save_Thiostrepton
_Entity.Sf_category entity
_Entity.Sf_framecode Thiostrepton
_Entity.Entry_ID rr_2l2y
_Entity.ID 1
_Entity.Name Thiostrepton
_Entity.Type non-polymer
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_chirality yes
_Entity.Nstd_linkage yes
_Entity.Nonpolymer_comp_ID QUA
_Entity.Number_of_monomers 18
_Entity.Paramagnetic no
_Entity.Thiol_state "all free"
_Entity.Parent_entity_ID 1
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 . QUA . rr_2l2y 1
2 . ILE . rr_2l2y 1
3 . ALA . rr_2l2y 1
4 . DHA . rr_2l2y 1
5 . ALA . rr_2l2y 1
6 . SER . rr_2l2y 1
7 . . . rr_2l2y 1
8 . THR . rr_2l2y 1
9 . DBU . rr_2l2y 1
10 . CYS . rr_2l2y 1
11 . . . rr_2l2y 1
12 . . . rr_2l2y 1
13 . THR . rr_2l2y 1
14 . . . rr_2l2y 1
15 . . . rr_2l2y 1
16 . . . rr_2l2y 1
17 . DHA . rr_2l2y 1
18 . NH2 . rr_2l2y 1
stop_
save_
save_chem_comp_QUA
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_QUA
_Chem_comp.Entry_ID rr_2l2y
_Chem_comp.ID QUA
_Chem_comp.Name "8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-2-CARBOXYLIC ACID"
_Chem_comp.Type non-polymer
_Chem_comp.PDB_code QUA
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic yes
_Chem_comp.Formula "C12 H13 N O4"
_Chem_comp.Formula_weight 235.239
save_
save_chem_comp_DHA
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_DHA
_Chem_comp.Entry_ID rr_2l2y
_Chem_comp.ID DHA
_Chem_comp.Name "2-AMINO-ACRYLIC ACID"
_Chem_comp.Type "L-peptide linking"
_Chem_comp.PDB_code DHA
_Chem_comp.Std_deriv_one_letter_code A
_Chem_comp.Std_deriv_three_letter_code Ala
_Chem_comp.Std_deriv_PDB_code ALA
_Chem_comp.Std_deriv_chem_comp_name ALANINE
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C3 H3 N O"
_Chem_comp.Formula_weight 69.0628
loop_
_Chem_comp_common_name.Name
_Chem_comp_common_name.Type
_Chem_comp_common_name.Entry_ID
_Chem_comp_common_name.Comp_ID
"2-aminoacrylic acid" name rr_2l2y DHA
stop_
save_
save_chem_comp_BB9
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_BB9
_Chem_comp.Entry_ID rr_2l2y
_Chem_comp.ID 1
_Chem_comp.Name Bb9
_Chem_comp.Type "L-peptide linking"
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C3 H N O S"
_Chem_comp.Formula_weight 99.107
save_
save_chem_comp_DBU
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_DBU
_Chem_comp.Entry_ID rr_2l2y
_Chem_comp.ID DBU
_Chem_comp.Name "(2E)-2-aminobut-2-enoic acid"
_Chem_comp.Type non-polymer
_Chem_comp.PDB_code DBU
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C4 H7 N O2"
_Chem_comp.Formula_weight 101.1048
save_
save_chem_comp_TS9
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_TS9
_Chem_comp.Entry_ID rr_2l2y
_Chem_comp.ID 2
_Chem_comp.Name Ts9
_Chem_comp.Type "L-peptide linking"
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C6 H11 N O2"
_Chem_comp.Formula_weight 129.1584
save_
save_chem_comp_MH6
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_MH6
_Chem_comp.Entry_ID rr_2l2y
_Chem_comp.ID 3
_Chem_comp.Name Mh6
_Chem_comp.Type "L-peptide linking"
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C3 H2 N"
_Chem_comp.Formula_weight 52.0555
save_
save_chem_comp_NH2
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_NH2
_Chem_comp.Entry_ID rr_2l2y
_Chem_comp.ID NH2
_Chem_comp.Name "AMINO GROUP"
_Chem_comp.Type non-polymer
_Chem_comp.PDB_code NH2
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "H2 N"
_Chem_comp.Formula_weight 16.0225
save_
save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID rr_2l2y
_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_2l2y
_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_2l2y 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_2l2y 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 QUA C10 C -3.691 -2.426 -2.036 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2y 1
. 1 . 2 . 1 1 1 QUA C11 C -0.163 -1.348 0.058 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2y 1
. 1 . 3 . 1 1 1 QUA C13 C -2.376 -2.788 -4.185 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2y 1
. 1 . 4 . 1 1 1 QUA C14 C -2.407 -4.306 -4.325 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2y 1
. 1 . 5 . 1 1 1 QUA C2 C -1.422 -1.726 -0.658 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2y 1
. 1 . 6 . 1 1 1 QUA C3 C -1.313 -2.055 -2.005 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2y 1
. 1 . 7 . 1 1 1 QUA C4 C -2.465 -2.411 -2.710 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2y 1
. 1 . 8 . 1 1 1 QUA C5 C -4.962 -2.775 -2.699 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2y 1
. 1 . 9 . 1 1 1 QUA C6 C -6.004 -3.121 -2.019 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2y 1
. 1 . 10 . 1 1 1 QUA C7 C -5.964 -3.200 -0.495 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2y 1
. 1 . 11 . 1 1 1 QUA C8 C -5.021 -2.108 0.080 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2y 1
. 1 . 12 . 1 1 1 QUA C9 C -3.705 -2.085 -0.691 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2y 1
. 1 . 13 . 1 1 1 QUA H13 H -3.222 -2.380 -4.715 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2y 1
. 1 . 14 . 1 1 1 QUA H141 H -2.599 -4.570 -5.354 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2y 1
. 1 . 15 . 1 1 1 QUA H142 H -3.189 -4.715 -3.694 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2y 1
. 1 . 16 . 1 1 1 QUA H143 H -1.455 -4.714 -4.022 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2y 1
. 1 . 17 . 1 1 1 QUA H15 H -1.366 -1.952 -5.660 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2y 1
. 1 . 18 . 1 1 1 QUA H16 H -5.060 -0.179 -0.329 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2y 1
. 1 . 19 . 1 1 1 QUA HC3 H -0.353 -2.033 -2.499 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2y 1
. 1 . 20 . 1 1 1 QUA HC5 H -5.032 -2.735 -3.772 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2y 1
. 1 . 21 . 1 1 1 QUA HC6 H -6.914 -3.366 -2.542 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2y 1
. 1 . 22 . 1 1 1 QUA HC71 H -6.955 -3.077 -0.089 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2y 1
. 1 . 23 . 1 1 1 QUA HC8 H -4.824 -2.342 1.116 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2y 1
. 1 . 24 . 1 1 1 QUA N1 N -2.601 -1.735 0.024 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2y 1
. 1 . 25 . 1 1 1 QUA O12 O 0.942 -1.331 -0.485 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2y 1
. 1 . 26 . 1 1 1 QUA O15 O -1.175 -2.279 -4.779 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2y 1
. 1 . 27 . 1 1 1 QUA O16 O -5.670 -0.834 0.016 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2y 1
. 1 . 28 . 1 1 2 ILE C C -4.407 -5.057 1.998 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2y 1
. 1 . 29 . 1 1 2 ILE CA C -5.710 -5.015 1.205 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2y 1
. 1 . 30 . 1 1 2 ILE CB C -6.378 -6.412 1.242 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2y 1
. 1 . 31 . 1 1 2 ILE CD1 C -5.260 -7.228 -0.953 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2y 1
. 1 . 32 . 1 1 2 ILE CG1 C -5.522 -7.484 0.526 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2y 1
. 1 . 33 . 1 1 2 ILE CG2 C -7.774 -6.343 0.638 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2y 1
. 1 . 34 . 1 1 2 ILE H H -4.505 -4.616 -0.382 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2y 1
. 1 . 35 . 1 1 2 ILE HA H -6.378 -4.305 1.670 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2y 1
. 1 . 36 . 1 1 2 ILE HB H -6.487 -6.693 2.279 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2y 1
. 1 . 37 . 1 1 2 ILE HD11 H -4.941 -8.147 -1.423 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2y 1
. 1 . 38 . 1 1 2 ILE HD12 H -4.482 -6.483 -1.063 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2y 1
. 1 . 39 . 1 1 2 ILE HD13 H -6.163 -6.877 -1.429 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2y 1
. 1 . 40 . 1 1 2 ILE HG12 H -4.566 -7.555 1.016 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2y 1
. 1 . 41 . 1 1 2 ILE HG13 H -6.026 -8.437 0.607 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2y 1
. 1 . 42 . 1 1 2 ILE HG21 H -8.175 -7.341 0.543 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2y 1
. 1 . 43 . 1 1 2 ILE HG22 H -7.724 -5.878 -0.336 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2y 1
. 1 . 44 . 1 1 2 ILE HG23 H -8.414 -5.758 1.282 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2y 1
. 1 . 45 . 1 1 2 ILE N N -5.466 -4.572 -0.191 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2y 1
. 1 . 46 . 1 1 2 ILE O O -4.373 -4.710 3.178 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2y 1
. 1 . 47 . 1 1 3 ALA C C -0.941 -5.793 0.897 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2y 1
. 1 . 48 . 1 1 3 ALA CA C -2.019 -5.565 1.950 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2y 1
. 1 . 49 . 1 1 3 ALA CB C -1.986 -6.677 2.990 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2y 1
. 1 . 50 . 1 1 3 ALA H H -3.438 -5.754 0.394 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2y 1
. 1 . 51 . 1 1 3 ALA HA H -1.828 -4.627 2.452 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2y 1
. 1 . 52 . 1 1 3 ALA HB1 H -2.699 -6.462 3.772 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2y 1
. 1 . 53 . 1 1 3 ALA HB2 H -0.995 -6.742 3.415 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2y 1
. 1 . 54 . 1 1 3 ALA HB3 H -2.239 -7.616 2.521 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2y 1
. 1 . 55 . 1 1 3 ALA N N -3.338 -5.485 1.331 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2y 1
. 1 . 56 . 1 1 3 ALA O O -0.955 -6.805 0.196 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2y 1
. 1 . 57 . 1 1 4 DHA C C 2.149 -3.907 0.287 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2y 1
. 1 . 58 . 1 1 4 DHA CA C 1.122 -4.832 -0.129 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2y 1
. 1 . 59 . 1 1 4 DHA CB C 1.246 -5.566 -1.223 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2y 1
. 1 . 60 . 1 1 4 DHA H H -0.073 -4.094 1.427 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2y 1
. 1 . 61 . 1 1 4 DHA HB1 H 0.467 -6.257 -1.503 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2y 1
. 1 . 62 . 1 1 4 DHA HB2 H 2.133 -5.480 -1.833 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2y 1
. 1 . 63 . 1 1 4 DHA N N -0.008 -4.847 0.802 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2y 1
. 1 . 64 . 1 1 4 DHA O O 1.953 -3.290 1.330 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2y 1
. 1 . 65 . 1 1 5 ALA C C 4.481 -1.753 -1.158 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2y 1
. 1 . 66 . 1 1 5 ALA CA C 4.267 -2.800 -0.073 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2y 1
. 1 . 67 . 1 1 5 ALA CB C 5.548 -3.553 0.222 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2y 1
. 1 . 68 . 1 1 5 ALA H H 3.327 -4.253 -1.284 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2y 1
. 1 . 69 . 1 1 5 ALA HA H 3.954 -2.301 0.833 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2y 1
. 1 . 70 . 1 1 5 ALA HB1 H 5.347 -4.307 0.971 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2y 1
. 1 . 71 . 1 1 5 ALA HB2 H 6.295 -2.867 0.591 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2y 1
. 1 . 72 . 1 1 5 ALA HB3 H 5.902 -4.028 -0.679 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2y 1
. 1 . 73 . 1 1 5 ALA N N 3.227 -3.737 -0.458 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2y 1
. 1 . 74 . 1 1 5 ALA O O 4.866 -2.082 -2.280 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2y 1
. 1 . 75 . 1 1 6 SER C C 3.256 0.488 -2.834 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2y 1
. 1 . 76 . 1 1 6 SER CA C 4.297 0.624 -1.823 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2y 1
. 1 . 77 . 1 1 6 SER CB C 5.725 0.714 -2.434 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2y 1
. 1 . 78 . 1 1 6 SER H H 3.970 -0.289 0.113 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2y 1
. 1 . 79 . 1 1 6 SER HB2 H 5.913 -0.149 -3.054 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2y 1
. 1 . 80 . 1 1 6 SER HB3 H 5.808 1.611 -3.030 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2y 1
. 1 . 81 . 1 1 6 SER N N 4.218 -0.489 -0.813 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2y 1
. 1 . 82 . 1 1 7 . C C -0.118 0.852 -3.956 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2y 1
. 1 . 83 . 1 1 7 . CA C 1.297 0.566 -3.832 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2y 1
. 1 . 84 . 1 1 7 . CB C 2.058 -0.004 -4.894 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2y 1
. 1 . 85 . 1 1 7 . HB H 1.679 -0.279 -5.867 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2y 1
. 1 . 86 . 1 1 7 . N N 2.009 0.819 -2.714 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2y 1
. 1 . 87 . 1 1 7 . O O -0.781 0.658 -4.975 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2y 1
. 1 . 88 . 1 1 7 . SG S 3.649 -0.178 -4.375 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2y 1
. 1 . 89 . 1 1 8 THR C C -1.880 3.441 -2.629 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2y 1
. 1 . 90 . 1 1 8 THR CA C -1.979 1.933 -2.815 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2y 1
. 1 . 91 . 1 1 8 THR CB C -2.877 1.335 -1.710 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2y 1
. 1 . 92 . 1 1 8 THR CG2 C -2.263 1.525 -0.331 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2y 1
. 1 . 93 . 1 1 8 THR H H -0.138 1.282 -1.997 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2y 1
. 1 . 94 . 1 1 8 THR HA H -2.445 1.735 -3.770 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2y 1
. 1 . 95 . 1 1 8 THR HB H -2.986 0.279 -1.895 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2y 1
. 1 . 96 . 1 1 8 THR HG1 H -4.808 1.329 -2.109 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2y 1
. 1 . 97 . 1 1 8 THR HG21 H -2.260 2.574 -0.076 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2y 1
. 1 . 98 . 1 1 8 THR HG22 H -1.251 1.152 -0.334 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2y 1
. 1 . 99 . 1 1 8 THR HG23 H -2.845 0.980 0.399 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2y 1
. 1 . 100 . 1 1 8 THR N N -0.649 1.336 -2.832 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2y 1
. 1 . 101 . 1 1 8 THR O O -0.822 3.963 -2.280 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2y 1
. 1 . 102 . 1 1 8 THR OG1 O -4.171 1.948 -1.745 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2y 1
. 1 . 103 . 1 1 9 DBU C C -3.441 6.231 -1.610 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2y 1
. 1 . 104 . 1 1 9 DBU CA C -3.067 5.592 -2.890 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2y 1
. 1 . 105 . 1 1 9 DBU CB C -2.825 6.316 -3.970 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2y 1
. 1 . 106 . 1 1 9 DBU CG C -2.425 5.677 -5.307 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2y 1
. 1 . 107 . 1 1 9 DBU HG1 H -1.999 6.428 -5.953 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2y 1
. 1 . 108 . 1 1 9 DBU HG2 H -3.299 5.251 -5.777 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2y 1
. 1 . 109 . 1 1 9 DBU HG3 H -1.696 4.895 -5.127 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2y 1
. 1 . 110 . 1 1 9 DBU N N -2.982 4.133 -2.862 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2y 1
. 1 . 111 . 1 1 10 CYS C C -4.649 5.670 1.673 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . rr_2l2y 1
. 1 . 112 . 1 1 10 CYS CA C -3.857 6.429 0.635 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . rr_2l2y 1
. 1 . 113 . 1 1 10 CYS CB C -4.677 7.583 0.064 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . rr_2l2y 1
. 1 . 114 . 1 1 10 CYS HA H -2.969 6.837 1.099 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . rr_2l2y 1
. 1 . 115 . 1 1 10 CYS HB2 H -5.717 7.291 -0.039 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB2 . . . . . . . . . rr_2l2y 1
. 1 . 116 . 1 1 10 CYS HB3 H -4.583 8.460 0.679 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . rr_2l2y 1
. 1 . 117 . 1 1 10 CYS N N -3.445 5.581 -0.484 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . rr_2l2y 1
. 1 . 118 . 1 1 10 CYS O O -5.395 6.297 2.426 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . rr_2l2y 1
. 1 . 119 . 1 1 10 CYS SG S -3.922 7.893 -1.539 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . rr_2l2y 1
. 1 . 120 . 1 1 11 . C C -4.073 2.933 3.650 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2y 1
. 1 . 121 . 1 1 11 . CA C -5.140 3.525 2.728 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2y 1
. 1 . 122 . 1 1 11 . CB C -6.001 2.396 2.062 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2y 1
. 1 . 123 . 1 1 11 . CD1 C -7.776 2.125 0.164 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2y 1
. 1 . 124 . 1 1 11 . CG1 C -6.953 3.078 1.019 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2y 1
. 1 . 125 . 1 1 11 . CG2 C -6.790 1.654 3.094 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2y 1
. 1 . 126 . 1 1 11 . H H -3.922 3.916 1.046 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2y 1
. 1 . 127 . 1 1 11 . HA H -5.789 4.165 3.308 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2y 1
. 1 . 128 . 1 1 11 . HD11 H -8.464 1.578 0.792 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2y 1
. 1 . 129 . 1 1 11 . HD12 H -7.118 1.432 -0.336 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2y 1
. 1 . 130 . 1 1 11 . HD13 H -8.331 2.689 -0.571 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2y 1
. 1 . 131 . 1 1 11 . HD2 H -7.446 4.791 1.870 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2y 1
. 1 . 132 . 1 1 11 . HG1 H -6.369 3.700 0.358 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2y 1
. 1 . 133 . 1 1 11 . HG21 H -6.117 1.121 3.749 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2y 1
. 1 . 134 . 1 1 11 . HG22 H -7.450 0.951 2.610 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2y 1
. 1 . 135 . 1 1 11 . HG23 H -7.373 2.355 3.674 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2y 1
. 1 . 136 . 1 1 11 . HG3 H -4.335 1.952 1.135 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2y 1
. 1 . 137 . 1 1 11 . N N -4.492 4.349 1.716 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2y 1
. 1 . 138 . 1 1 11 . OD2 O -7.837 3.919 1.774 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2y 1
. 1 . 139 . 1 1 11 . OG3 O -5.143 1.497 1.383 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2y 1
. 1 . 140 . 1 1 12 . C C -0.877 1.419 4.147 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2y 1
. 1 . 141 . 1 1 12 . CA C -2.196 2.005 4.296 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2y 1
. 1 . 142 . 1 1 12 . CB C -2.826 2.154 5.572 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2y 1
. 1 . 143 . 1 1 12 . HB H -2.404 1.857 6.521 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2y 1
. 1 . 144 . 1 1 12 . N N -2.935 2.456 3.258 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2y 1
. 1 . 145 . 1 1 12 . O O -0.184 1.025 5.084 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2y 1
. 1 . 146 . 1 1 12 . SG S -4.334 2.867 5.347 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2y 1
. 1 . 147 . 1 1 13 THR C C 1.429 1.533 1.334 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2y 1
. 1 . 148 . 1 1 13 THR CA C 0.828 0.781 2.520 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2y 1
. 1 . 149 . 1 1 13 THR CB C 0.745 -0.731 2.217 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2y 1
. 1 . 150 . 1 1 13 THR CG2 C 0.514 -1.537 3.483 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2y 1
. 1 . 151 . 1 1 13 THR H H -1.080 1.644 2.164 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2y 1
. 1 . 152 . 1 1 13 THR HA H 1.475 0.907 3.375 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2y 1
. 1 . 153 . 1 1 13 THR HB H 1.668 -1.056 1.759 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2y 1
. 1 . 154 . 1 1 13 THR HG21 H -0.462 -1.308 3.883 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2y 1
. 1 . 155 . 1 1 13 THR HG22 H 1.270 -1.287 4.212 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2y 1
. 1 . 156 . 1 1 13 THR HG23 H 0.569 -2.590 3.253 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2y 1
. 1 . 157 . 1 1 13 THR N N -0.481 1.333 2.875 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2y 1
. 1 . 158 . 1 1 13 THR OG1 O -0.405 -1.018 1.326 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2y 1
. 1 . 159 . 1 1 14 . C C 4.145 1.947 -0.990 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2y 1
. 1 . 160 . 1 1 14 . CA C 2.849 2.099 -0.240 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2y 1
. 1 . 161 . 1 1 14 . CB C 1.827 3.065 -0.500 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2y 1
. 1 . 162 . 1 1 14 . HB H 1.851 3.812 -1.278 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2y 1
. 1 . 163 . 1 1 14 . N N 2.577 1.270 0.794 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2y 1
. 1 . 164 . 1 1 14 . SG S 0.580 2.840 0.608 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2y 1
. 1 . 165 . 1 1 15 . C C 7.298 1.675 0.958 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2y 1
. 1 . 166 . 1 1 15 . CA C 6.327 1.515 -0.144 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2y 1
. 1 . 167 . 1 1 15 . CB C 6.777 0.759 -1.326 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2y 1
. 1 . 168 . 1 1 15 . HB2 H 7.003 -0.254 -1.029 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2y 1
. 1 . 169 . 1 1 15 . HB3 H 7.673 1.214 -1.727 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2y 1
. 1 . 170 . 1 1 15 . N N 5.175 2.057 0.050 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2y 1
. 1 . 171 . 1 1 16 . C C 10.539 1.063 2.305 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2y 1
. 1 . 172 . 1 1 16 . CA C 9.173 1.483 2.067 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2y 1
. 1 . 173 . 1 1 16 . CB C 8.426 2.245 3.021 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2y 1
. 1 . 174 . 1 1 16 . HB H 8.785 2.577 3.983 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2y 1
. 1 . 175 . 1 1 16 . N N 8.495 1.192 0.934 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2y 1
. 1 . 176 . 1 1 16 . O O 11.178 1.319 3.324 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2y 1
. 1 . 177 . 1 1 16 . SG S 6.891 2.538 2.389 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2y 1
. 1 . 178 . 1 1 17 DHA C C 12.579 -1.059 0.028 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2y 1
. 1 . 179 . 1 1 17 DHA CA C 12.397 -0.203 1.191 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2y 1
. 1 . 180 . 1 1 17 DHA CB C 13.390 0.019 2.040 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2y 1
. 1 . 181 . 1 1 17 DHA H H 10.424 0.172 0.544 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2y 1
. 1 . 182 . 1 1 17 DHA HB1 H 14.355 -0.440 1.873 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2y 1
. 1 . 183 . 1 1 17 DHA HB2 H 13.241 0.654 2.897 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2y 1
. 1 . 184 . 1 1 17 DHA N N 11.034 0.350 1.289 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2y 1
. 1 . 185 . 1 1 17 DHA O O 11.610 -1.220 -0.715 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2y 1
. 1 . 186 . 1 1 18 NH2 HN1 H 13.876 -2.203 -0.978 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . rr_2l2y 1
. 1 . 187 . 1 1 18 NH2 HN2 H 14.496 -1.464 0.430 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . rr_2l2y 1
. 1 . 188 . 1 1 18 NH2 N N 13.759 -1.627 -0.194 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . rr_2l2y 1
. 2 . 189 . 1 1 1 QUA C10 C -3.709 -2.441 -2.057 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2y 1
. 2 . 190 . 1 1 1 QUA C11 C -0.185 -1.364 0.046 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2y 1
. 2 . 191 . 1 1 1 QUA C13 C -2.386 -2.815 -4.199 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2y 1
. 2 . 192 . 1 1 1 QUA C14 C -2.416 -4.335 -4.333 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2y 1
. 2 . 193 . 1 1 1 QUA C2 C -1.444 -1.741 -0.673 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2y 1
. 2 . 194 . 1 1 1 QUA C3 C -1.331 -2.076 -2.018 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2y 1
. 2 . 195 . 1 1 1 QUA C4 C -2.480 -2.432 -2.726 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2y 1
. 2 . 196 . 1 1 1 QUA C5 C -4.977 -2.789 -2.725 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2y 1
. 2 . 197 . 1 1 1 QUA C6 C -6.023 -3.131 -2.049 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2y 1
. 2 . 198 . 1 1 1 QUA C7 C -5.991 -3.205 -0.525 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2y 1
. 2 . 199 . 1 1 1 QUA C8 C -5.047 -2.113 0.052 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2y 1
. 2 . 200 . 1 1 1 QUA C9 C -3.729 -2.095 -0.713 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2y 1
. 2 . 201 . 1 1 1 QUA H13 H -3.230 -2.410 -4.734 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2y 1
. 2 . 202 . 1 1 1 QUA H141 H -1.465 -4.742 -4.024 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2y 1
. 2 . 203 . 1 1 1 QUA H142 H -2.606 -4.603 -5.361 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2y 1
. 2 . 204 . 1 1 1 QUA H143 H -3.200 -4.739 -3.703 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2y 1
. 2 . 205 . 1 1 1 QUA H15 H -0.712 -3.026 -5.224 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2y 1
. 2 . 206 . 1 1 1 QUA H16 H -6.344 -0.767 0.684 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2y 1
. 2 . 207 . 1 1 1 QUA HC3 H -0.369 -2.059 -2.508 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2y 1
. 2 . 208 . 1 1 1 QUA HC5 H -5.042 -2.752 -3.799 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2y 1
. 2 . 209 . 1 1 1 QUA HC6 H -6.932 -3.375 -2.575 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2y 1
. 2 . 210 . 1 1 1 QUA HC71 H -6.983 -3.079 -0.125 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2y 1
. 2 . 211 . 1 1 1 QUA HC8 H -4.857 -2.344 1.089 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2y 1
. 2 . 212 . 1 1 1 QUA N1 N -2.626 -1.745 0.006 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2y 1
. 2 . 213 . 1 1 1 QUA O12 O 0.922 -1.354 -0.494 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2y 1
. 2 . 214 . 1 1 1 QUA O15 O -1.183 -2.309 -4.792 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2y 1
. 2 . 215 . 1 1 1 QUA O16 O -5.695 -0.837 -0.020 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2y 1
. 2 . 216 . 1 1 2 ILE C C -4.428 -5.029 1.973 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2y 1
. 2 . 217 . 1 1 2 ILE CA C -5.733 -5.012 1.183 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2y 1
. 2 . 218 . 1 1 2 ILE CB C -6.385 -6.417 1.236 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2y 1
. 2 . 219 . 1 1 2 ILE CD1 C -5.239 -7.246 -0.938 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2y 1
. 2 . 220 . 1 1 2 ILE CG1 C -5.514 -7.489 0.541 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2y 1
. 2 . 221 . 1 1 2 ILE CG2 C -7.777 -6.374 0.623 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2y 1
. 2 . 222 . 1 1 2 ILE H H -4.540 -4.631 -0.416 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2y 1
. 2 . 223 . 1 1 2 ILE HA H -6.410 -4.306 1.644 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2y 1
. 2 . 224 . 1 1 2 ILE HB H -6.497 -6.686 2.277 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2y 1
. 2 . 225 . 1 1 2 ILE HD11 H -6.142 -6.912 -1.425 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2y 1
. 2 . 226 . 1 1 2 ILE HD12 H -4.906 -8.166 -1.395 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2y 1
. 2 . 227 . 1 1 2 ILE HD13 H -4.469 -6.494 -1.048 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2y 1
. 2 . 228 . 1 1 2 ILE HG12 H -4.561 -7.547 1.042 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2y 1
. 2 . 229 . 1 1 2 ILE HG13 H -6.011 -8.444 0.628 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2y 1
. 2 . 230 . 1 1 2 ILE HG21 H -8.435 -5.806 1.265 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2y 1
. 2 . 231 . 1 1 2 ILE HG22 H -8.156 -7.379 0.517 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2y 1
. 2 . 232 . 1 1 2 ILE HG23 H -7.730 -5.902 -0.347 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2y 1
. 2 . 233 . 1 1 2 ILE N N -5.499 -4.579 -0.217 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2y 1
. 2 . 234 . 1 1 2 ILE O O -4.395 -4.671 3.150 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2y 1
. 2 . 235 . 1 1 3 ALA C C -0.957 -5.726 0.866 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2y 1
. 2 . 236 . 1 1 3 ALA CA C -2.034 -5.499 1.921 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2y 1
. 2 . 237 . 1 1 3 ALA CB C -1.977 -6.598 2.974 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2y 1
. 2 . 238 . 1 1 3 ALA H H -3.455 -5.726 0.373 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2y 1
. 2 . 239 . 1 1 3 ALA HA H -1.854 -4.553 2.409 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2y 1
. 2 . 240 . 1 1 3 ALA HB1 H -2.204 -7.549 2.516 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2y 1
. 2 . 241 . 1 1 3 ALA HB2 H -2.700 -6.390 3.751 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2y 1
. 2 . 242 . 1 1 3 ALA HB3 H -0.988 -6.632 3.405 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2y 1
. 2 . 243 . 1 1 3 ALA N N -3.355 -5.447 1.306 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2y 1
. 2 . 244 . 1 1 3 ALA O O -0.991 -6.719 0.140 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2y 1
. 2 . 245 . 1 1 4 DHA C C 2.172 -3.889 0.287 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2y 1
. 2 . 246 . 1 1 4 DHA CA C 1.117 -4.776 -0.147 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2y 1
. 2 . 247 . 1 1 4 DHA CB C 1.211 -5.474 -1.267 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2y 1
. 2 . 248 . 1 1 4 DHA H H -0.042 -4.069 1.451 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2y 1
. 2 . 249 . 1 1 4 DHA HB1 H 0.411 -6.135 -1.561 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2y 1
. 2 . 250 . 1 1 4 DHA HB2 H 2.092 -5.387 -1.885 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2y 1
. 2 . 251 . 1 1 4 DHA N N -0.002 -4.798 0.796 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2y 1
. 2 . 252 . 1 1 4 DHA O O 2.005 -3.304 1.354 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2y 1
. 2 . 253 . 1 1 5 ALA C C 4.525 -1.747 -1.152 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2y 1
. 2 . 254 . 1 1 5 ALA CA C 4.302 -2.804 -0.079 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2y 1
. 2 . 255 . 1 1 5 ALA CB C 5.569 -3.587 0.196 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2y 1
. 2 . 256 . 1 1 5 ALA H H 3.321 -4.215 -1.310 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2y 1
. 2 . 257 . 1 1 5 ALA HA H 4.004 -2.314 0.836 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2y 1
. 2 . 258 . 1 1 5 ALA HB1 H 5.923 -4.031 -0.722 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2y 1
. 2 . 259 . 1 1 5 ALA HB2 H 5.352 -4.365 0.913 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2y 1
. 2 . 260 . 1 1 5 ALA HB3 H 6.323 -2.926 0.594 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2y 1
. 2 . 261 . 1 1 5 ALA N N 3.242 -3.717 -0.469 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2y 1
. 2 . 262 . 1 1 5 ALA O O 4.934 -2.064 -2.268 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2y 1
. 2 . 263 . 1 1 6 SER C C 3.263 0.481 -2.816 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2y 1
. 2 . 264 . 1 1 6 SER CA C 4.307 0.629 -1.809 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2y 1
. 2 . 265 . 1 1 6 SER CB C 5.731 0.738 -2.427 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2y 1
. 2 . 266 . 1 1 6 SER H H 3.996 -0.295 0.125 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2y 1
. 2 . 267 . 1 1 6 SER HB2 H 5.930 -0.122 -3.046 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2y 1
. 2 . 268 . 1 1 6 SER HB3 H 5.795 1.634 -3.028 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2y 1
. 2 . 269 . 1 1 6 SER N N 4.245 -0.488 -0.802 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2y 1
. 2 . 270 . 1 1 7 . C C -0.114 0.827 -3.939 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2y 1
. 2 . 271 . 1 1 7 . CA C 1.303 0.545 -3.813 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2y 1
. 2 . 272 . 1 1 7 . CB C 2.064 -0.035 -4.869 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2y 1
. 2 . 273 . 1 1 7 . HB H 1.683 -0.322 -5.838 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2y 1
. 2 . 274 . 1 1 7 . N N 2.015 0.812 -2.697 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2y 1
. 2 . 275 . 1 1 7 . O O -0.774 0.618 -4.957 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2y 1
. 2 . 276 . 1 1 7 . SG S 3.655 -0.201 -4.350 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2y 1
. 2 . 277 . 1 1 8 THR C C -1.890 3.420 -2.647 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2y 1
. 2 . 278 . 1 1 8 THR CA C -1.981 1.910 -2.814 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2y 1
. 2 . 279 . 1 1 8 THR CB C -2.877 1.320 -1.704 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2y 1
. 2 . 280 . 1 1 8 THR CG2 C -2.270 1.528 -0.324 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2y 1
. 2 . 281 . 1 1 8 THR H H -0.133 1.288 -1.989 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2y 1
. 2 . 282 . 1 1 8 THR HA H -2.442 1.697 -3.768 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2y 1
. 2 . 283 . 1 1 8 THR HB H -2.981 0.262 -1.879 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2y 1
. 2 . 284 . 1 1 8 THR HG1 H -4.281 2.516 -1.001 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2y 1
. 2 . 285 . 1 1 8 THR HG21 H -1.263 1.139 -0.314 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2y 1
. 2 . 286 . 1 1 8 THR HG22 H -2.864 1.006 0.411 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2y 1
. 2 . 287 . 1 1 8 THR HG23 H -2.253 2.581 -0.090 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2y 1
. 2 . 288 . 1 1 8 THR N N -0.646 1.323 -2.823 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2y 1
. 2 . 289 . 1 1 8 THR O O -0.828 3.957 -2.334 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2y 1
. 2 . 290 . 1 1 8 THR OG1 O -4.175 1.924 -1.750 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2y 1
. 2 . 291 . 1 1 9 DBU C C -3.460 6.208 -1.622 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2y 1
. 2 . 292 . 1 1 9 DBU CA C -3.101 5.557 -2.900 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2y 1
. 2 . 293 . 1 1 9 DBU CB C -2.880 6.271 -3.992 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2y 1
. 2 . 294 . 1 1 9 DBU CG C -2.496 5.618 -5.328 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2y 1
. 2 . 295 . 1 1 9 DBU HG1 H -2.094 6.367 -5.995 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2y 1
. 2 . 296 . 1 1 9 DBU HG2 H -3.370 5.169 -5.774 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2y 1
. 2 . 297 . 1 1 9 DBU HG3 H -1.749 4.852 -5.149 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2y 1
. 2 . 298 . 1 1 9 DBU N N -3.006 4.101 -2.858 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2y 1
. 2 . 299 . 1 1 10 CYS C C -4.627 5.686 1.688 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . rr_2l2y 1
. 2 . 300 . 1 1 10 CYS CA C -3.849 6.430 0.627 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . rr_2l2y 1
. 2 . 301 . 1 1 10 CYS CB C -4.675 7.577 0.053 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . rr_2l2y 1
. 2 . 302 . 1 1 10 CYS HA H -2.954 6.844 1.072 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . rr_2l2y 1
. 2 . 303 . 1 1 10 CYS HB2 H -5.716 7.282 -0.037 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB2 . . . . . . . . . rr_2l2y 1
. 2 . 304 . 1 1 10 CYS HB3 H -4.576 8.460 0.658 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . rr_2l2y 1
. 2 . 305 . 1 1 10 CYS N N -3.452 5.568 -0.488 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . rr_2l2y 1
. 2 . 306 . 1 1 10 CYS O O -5.356 6.327 2.446 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . rr_2l2y 1
. 2 . 307 . 1 1 10 CYS SG S -3.937 7.872 -1.561 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . rr_2l2y 1
. 2 . 308 . 1 1 11 . C C -4.023 2.984 3.701 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2y 1
. 2 . 309 . 1 1 11 . CA C -5.106 3.558 2.787 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2y 1
. 2 . 310 . 1 1 11 . CB C -5.983 2.421 2.157 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2y 1
. 2 . 311 . 1 1 11 . CD1 C -7.842 2.143 0.344 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2y 1
. 2 . 312 . 1 1 11 . CG1 C -7.019 3.099 1.196 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2y 1
. 2 . 313 . 1 1 11 . CG2 C -6.684 1.636 3.222 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2y 1
. 2 . 314 . 1 1 11 . H H -3.929 3.919 1.067 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2y 1
. 2 . 315 . 1 1 11 . HA H -5.742 4.211 3.367 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2y 1
. 2 . 316 . 1 1 11 . HD11 H -8.457 1.528 0.984 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2y 1
. 2 . 317 . 1 1 11 . HD12 H -7.179 1.514 -0.232 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2y 1
. 2 . 318 . 1 1 11 . HD13 H -8.473 2.709 -0.325 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2y 1
. 2 . 319 . 1 1 11 . HD2 H -8.576 4.278 1.490 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2y 1
. 2 . 320 . 1 1 11 . HG1 H -6.500 3.773 0.533 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2y 1
. 2 . 321 . 1 1 11 . HG21 H -7.251 2.307 3.849 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2y 1
. 2 . 322 . 1 1 11 . HG22 H -5.955 1.112 3.822 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2y 1
. 2 . 323 . 1 1 11 . HG23 H -7.351 0.922 2.765 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2y 1
. 2 . 324 . 1 1 11 . HG3 H -4.671 2.070 0.747 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2y 1
. 2 . 325 . 1 1 11 . N N -4.478 4.365 1.746 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2y 1
. 2 . 326 . 1 1 11 . OD2 O -7.899 3.865 2.031 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2y 1
. 2 . 327 . 1 1 11 . OG3 O -5.150 1.558 1.403 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2y 1
. 2 . 328 . 1 1 12 . C C -0.840 1.432 4.174 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2y 1
. 2 . 329 . 1 1 12 . CA C -2.145 2.046 4.334 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2y 1
. 2 . 330 . 1 1 12 . CB C -2.738 2.252 5.619 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2y 1
. 2 . 331 . 1 1 12 . HB H -2.296 1.984 6.568 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2y 1
. 2 . 332 . 1 1 12 . N N -2.903 2.472 3.298 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2y 1
. 2 . 333 . 1 1 12 . O O -0.134 1.047 5.106 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2y 1
. 2 . 334 . 1 1 12 . SG S -4.240 2.984 5.406 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2y 1
. 2 . 335 . 1 1 13 THR C C 1.430 1.510 1.349 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2y 1
. 2 . 336 . 1 1 13 THR CA C 0.828 0.748 2.527 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2y 1
. 2 . 337 . 1 1 13 THR CB C 0.724 -0.758 2.207 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2y 1
. 2 . 338 . 1 1 13 THR CG2 C 0.481 -1.574 3.464 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2y 1
. 2 . 339 . 1 1 13 THR H H -1.082 1.610 2.192 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2y 1
. 2 . 340 . 1 1 13 THR HA H 1.482 0.856 3.379 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2y 1
. 2 . 341 . 1 1 13 THR HB H 1.643 -1.091 1.747 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2y 1
. 2 . 342 . 1 1 13 THR HG21 H -0.481 -1.315 3.880 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2y 1
. 2 . 343 . 1 1 13 THR HG22 H 1.255 -1.362 4.186 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2y 1
. 2 . 344 . 1 1 13 THR HG23 H 0.496 -2.625 3.218 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2y 1
. 2 . 345 . 1 1 13 THR N N -0.471 1.313 2.898 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2y 1
. 2 . 346 . 1 1 13 THR OG1 O -0.429 -1.023 1.310 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2y 1
. 2 . 347 . 1 1 14 . C C 4.142 1.949 -0.974 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2y 1
. 2 . 348 . 1 1 14 . CA C 2.848 2.091 -0.219 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2y 1
. 2 . 349 . 1 1 14 . CB C 1.827 3.060 -0.468 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2y 1
. 2 . 350 . 1 1 14 . HB H 1.850 3.816 -1.238 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2y 1
. 2 . 351 . 1 1 14 . N N 2.577 1.251 0.805 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2y 1
. 2 . 352 . 1 1 14 . SG S 0.580 2.825 0.638 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2y 1
. 2 . 353 . 1 1 15 . C C 7.312 1.713 0.956 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2y 1
. 2 . 354 . 1 1 15 . CA C 6.335 1.547 -0.141 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2y 1
. 2 . 355 . 1 1 15 . CB C 6.791 0.805 -1.329 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2y 1
. 2 . 356 . 1 1 15 . HB2 H 7.043 -0.202 -1.037 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2y 1
. 2 . 357 . 1 1 15 . HB3 H 7.672 1.283 -1.735 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2y 1
. 2 . 358 . 1 1 15 . N N 5.176 2.068 0.064 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2y 1
. 2 . 359 . 1 1 16 . C C 10.589 1.173 2.242 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2y 1
. 2 . 360 . 1 1 16 . CA C 9.206 1.554 2.036 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2y 1
. 2 . 361 . 1 1 16 . CB C 8.447 2.267 3.018 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2y 1
. 2 . 362 . 1 1 16 . HB H 8.809 2.586 3.985 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2y 1
. 2 . 363 . 1 1 16 . N N 8.523 1.270 0.905 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2y 1
. 2 . 364 . 1 1 16 . O O 11.232 1.415 3.261 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2y 1
. 2 . 365 . 1 1 16 . SG S 6.895 2.526 2.413 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2y 1
. 2 . 366 . 1 1 17 DHA C C 12.727 -0.582 -0.249 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2y 1
. 2 . 367 . 1 1 17 DHA CA C 12.470 0.009 1.055 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2y 1
. 2 . 368 . 1 1 17 DHA CB C 13.412 0.055 1.985 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2y 1
. 2 . 369 . 1 1 17 DHA H H 10.489 0.385 0.432 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2y 1
. 2 . 370 . 1 1 17 DHA HB1 H 14.391 -0.352 1.780 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2y 1
. 2 . 371 . 1 1 17 DHA HB2 H 13.207 0.499 2.946 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2y 1
. 2 . 372 . 1 1 17 DHA N N 11.095 0.525 1.189 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2y 1
. 2 . 373 . 1 1 17 DHA O O 11.803 -0.584 -1.062 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2y 1
. 2 . 374 . 1 1 18 NH2 HN1 H 14.092 -1.488 -1.397 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . rr_2l2y 1
. 2 . 375 . 1 1 18 NH2 HN2 H 14.625 -1.062 0.168 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . rr_2l2y 1
. 2 . 376 . 1 1 18 NH2 N N 13.925 -1.090 -0.517 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . rr_2l2y 1
. 3 . 377 . 1 1 1 QUA C10 C -3.724 -2.440 -2.043 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2y 1
. 3 . 378 . 1 1 1 QUA C11 C -0.198 -1.348 0.047 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2y 1
. 3 . 379 . 1 1 1 QUA C13 C -2.412 -2.762 -4.202 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2y 1
. 3 . 380 . 1 1 1 QUA C14 C -2.422 -4.279 -4.361 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2y 1
. 3 . 381 . 1 1 1 QUA C2 C -1.457 -1.731 -0.667 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2y 1
. 3 . 382 . 1 1 1 QUA C3 C -1.350 -2.043 -2.018 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2y 1
. 3 . 383 . 1 1 1 QUA C4 C -2.501 -2.404 -2.722 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2y 1
. 3 . 384 . 1 1 1 QUA C5 C -4.993 -2.797 -2.705 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2y 1
. 3 . 385 . 1 1 1 QUA C6 C -6.027 -3.166 -2.025 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2y 1
. 3 . 386 . 1 1 1 QUA C7 C -5.979 -3.263 -0.501 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2y 1
. 3 . 387 . 1 1 1 QUA C8 C -5.049 -2.162 0.081 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2y 1
. 3 . 388 . 1 1 1 QUA C9 C -3.737 -2.114 -0.694 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2y 1
. 3 . 389 . 1 1 1 QUA H13 H -3.265 -2.359 -4.724 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2y 1
. 3 . 390 . 1 1 1 QUA H141 H -2.610 -4.530 -5.395 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2y 1
. 3 . 391 . 1 1 1 QUA H142 H -3.200 -4.704 -3.739 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2y 1
. 3 . 392 . 1 1 1 QUA H143 H -1.466 -4.679 -4.062 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2y 1
. 3 . 393 . 1 1 1 QUA H15 H -1.441 -1.471 -5.336 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2y 1
. 3 . 394 . 1 1 1 QUA H16 H -5.448 -0.422 -0.763 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2y 1
. 3 . 395 . 1 1 1 QUA HC3 H -0.393 -2.005 -2.514 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2y 1
. 3 . 396 . 1 1 1 QUA HC5 H -5.068 -2.746 -3.778 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2y 1
. 3 . 397 . 1 1 1 QUA HC6 H -6.937 -3.416 -2.546 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2y 1
. 3 . 398 . 1 1 1 QUA HC71 H -6.970 -3.159 -0.089 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2y 1
. 3 . 399 . 1 1 1 QUA HC8 H -4.848 -2.401 1.114 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2y 1
. 3 . 400 . 1 1 1 QUA N1 N -2.634 -1.760 0.021 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2y 1
. 3 . 401 . 1 1 1 QUA O12 O 0.907 -1.332 -0.495 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2y 1
. 3 . 402 . 1 1 1 QUA O15 O -1.219 -2.230 -4.793 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2y 1
. 3 . 403 . 1 1 1 QUA O16 O -5.719 -0.895 0.028 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2y 1
. 3 . 404 . 1 1 2 ILE C C -4.404 -5.108 1.978 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2y 1
. 3 . 405 . 1 1 2 ILE CA C -5.700 -5.100 1.172 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2y 1
. 3 . 406 . 1 1 2 ILE CB C -6.324 -6.519 1.186 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2y 1
. 3 . 407 . 1 1 2 ILE CD1 C -5.136 -7.276 -0.991 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2y 1
. 3 . 408 . 1 1 2 ILE CG1 C -5.422 -7.557 0.478 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2y 1
. 3 . 409 . 1 1 2 ILE CG2 C -7.710 -6.493 0.556 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2y 1
. 3 . 410 . 1 1 2 ILE H H -4.497 -4.654 -0.402 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2y 1
. 3 . 411 . 1 1 2 ILE HA H -6.397 -4.417 1.639 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2y 1
. 3 . 412 . 1 1 2 ILE HB H -6.443 -6.813 2.218 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2y 1
. 3 . 413 . 1 1 2 ILE HD11 H -4.380 -6.505 -1.075 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2y 1
. 3 . 414 . 1 1 2 ILE HD12 H -6.038 -6.945 -1.481 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2y 1
. 3 . 415 . 1 1 2 ILE HD13 H -4.781 -8.178 -1.466 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2y 1
. 3 . 416 . 1 1 2 ILE HG12 H -4.474 -7.606 0.990 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2y 1
. 3 . 417 . 1 1 2 ILE HG13 H -5.900 -8.525 0.538 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2y 1
. 3 . 418 . 1 1 2 ILE HG21 H -7.658 -6.020 -0.412 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2y 1
. 3 . 419 . 1 1 2 ILE HG22 H -8.384 -5.938 1.192 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2y 1
. 3 . 420 . 1 1 2 ILE HG23 H -8.073 -7.503 0.444 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2y 1
. 3 . 421 . 1 1 2 ILE N N -5.459 -4.630 -0.216 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2y 1
. 3 . 422 . 1 1 2 ILE O O -4.390 -4.749 3.156 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2y 1
. 3 . 423 . 1 1 3 ALA C C -0.918 -5.793 0.914 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2y 1
. 3 . 424 . 1 1 3 ALA CA C -2.006 -5.567 1.958 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2y 1
. 3 . 425 . 1 1 3 ALA CB C -1.959 -6.665 3.013 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2y 1
. 3 . 426 . 1 1 3 ALA H H -3.406 -5.799 0.392 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2y 1
. 3 . 427 . 1 1 3 ALA HA H -1.833 -4.619 2.447 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2y 1
. 3 . 428 . 1 1 3 ALA HB1 H -0.989 -6.667 3.486 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2y 1
. 3 . 429 . 1 1 3 ALA HB2 H -2.133 -7.621 2.544 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2y 1
. 3 . 430 . 1 1 3 ALA HB3 H -2.723 -6.484 3.756 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2y 1
. 3 . 431 . 1 1 3 ALA N N -3.320 -5.519 1.326 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2y 1
. 3 . 432 . 1 1 3 ALA O O -0.915 -6.812 0.224 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2y 1
. 3 . 433 . 1 1 4 DHA C C 2.164 -3.899 0.294 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2y 1
. 3 . 434 . 1 1 4 DHA CA C 1.132 -4.818 -0.124 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2y 1
. 3 . 435 . 1 1 4 DHA CB C 1.246 -5.542 -1.225 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2y 1
. 3 . 436 . 1 1 4 DHA H H -0.057 -4.088 1.442 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2y 1
. 3 . 437 . 1 1 4 DHA HB1 H 0.464 -6.228 -1.507 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2y 1
. 3 . 438 . 1 1 4 DHA HB2 H 2.130 -5.452 -1.839 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2y 1
. 3 . 439 . 1 1 4 DHA N N 0.008 -4.839 0.814 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2y 1
. 3 . 440 . 1 1 4 DHA O O 1.977 -3.292 1.345 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2y 1
. 3 . 441 . 1 1 5 ALA C C 4.495 -1.746 -1.155 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2y 1
. 3 . 442 . 1 1 5 ALA CA C 4.282 -2.794 -0.073 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2y 1
. 3 . 443 . 1 1 5 ALA CB C 5.560 -3.554 0.216 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2y 1
. 3 . 444 . 1 1 5 ALA H H 3.331 -4.237 -1.288 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2y 1
. 3 . 445 . 1 1 5 ALA HA H 3.973 -2.298 0.836 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2y 1
. 3 . 446 . 1 1 5 ALA HB1 H 6.304 -2.876 0.603 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2y 1
. 3 . 447 . 1 1 5 ALA HB2 H 5.920 -4.009 -0.695 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2y 1
. 3 . 448 . 1 1 5 ALA HB3 H 5.355 -4.323 0.947 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2y 1
. 3 . 449 . 1 1 5 ALA N N 3.238 -3.727 -0.457 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2y 1
. 3 . 450 . 1 1 5 ALA O O 4.886 -2.072 -2.276 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2y 1
. 3 . 451 . 1 1 6 SER C C 3.238 0.484 -2.823 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2y 1
. 3 . 452 . 1 1 6 SER CA C 4.286 0.627 -1.819 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2y 1
. 3 . 453 . 1 1 6 SER CB C 5.709 0.728 -2.442 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2y 1
. 3 . 454 . 1 1 6 SER H H 3.978 -0.288 0.118 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2y 1
. 3 . 455 . 1 1 6 SER HB2 H 5.899 -0.133 -3.064 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2y 1
. 3 . 456 . 1 1 6 SER HB3 H 5.777 1.625 -3.041 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2y 1
. 3 . 457 . 1 1 6 SER N N 4.223 -0.486 -0.809 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2y 1
. 3 . 458 . 1 1 7 . C C -0.142 0.834 -3.929 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2y 1
. 3 . 459 . 1 1 7 . CA C 1.275 0.551 -3.812 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2y 1
. 3 . 460 . 1 1 7 . CB C 2.031 -0.025 -4.874 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2y 1
. 3 . 461 . 1 1 7 . HB H 1.646 -0.308 -5.842 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2y 1
. 3 . 462 . 1 1 7 . N N 1.991 0.813 -2.698 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2y 1
. 3 . 463 . 1 1 7 . O O -0.810 0.629 -4.942 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2y 1
. 3 . 464 . 1 1 7 . SG S 3.626 -0.192 -4.361 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2y 1
. 3 . 465 . 1 1 8 THR C C -1.883 3.437 -2.607 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2y 1
. 3 . 466 . 1 1 8 THR CA C -1.992 1.931 -2.787 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2y 1
. 3 . 467 . 1 1 8 THR CB C -2.889 1.343 -1.677 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2y 1
. 3 . 468 . 1 1 8 THR CG2 C -2.257 1.515 -0.304 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2y 1
. 3 . 469 . 1 1 8 THR H H -0.148 1.282 -1.975 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2y 1
. 3 . 470 . 1 1 8 THR HA H -2.462 1.731 -3.741 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2y 1
. 3 . 471 . 1 1 8 THR HB H -3.019 0.288 -1.866 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2y 1
. 3 . 472 . 1 1 8 THR HG1 H -4.395 2.276 -0.812 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2y 1
. 3 . 473 . 1 1 8 THR HG21 H -2.824 0.957 0.425 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2y 1
. 3 . 474 . 1 1 8 THR HG22 H -2.258 2.562 -0.035 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2y 1
. 3 . 475 . 1 1 8 THR HG23 H -1.243 1.151 -0.327 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2y 1
. 3 . 476 . 1 1 8 THR N N -0.665 1.328 -2.808 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2y 1
. 3 . 477 . 1 1 8 THR O O -0.831 3.952 -2.230 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2y 1
. 3 . 478 . 1 1 8 THR OG1 O -4.172 1.977 -1.696 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2y 1
. 3 . 479 . 1 1 9 DBU C C -3.409 6.255 -1.648 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2y 1
. 3 . 480 . 1 1 9 DBU CA C -3.039 5.597 -2.920 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2y 1
. 3 . 481 . 1 1 9 DBU CB C -2.784 6.305 -4.008 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2y 1
. 3 . 482 . 1 1 9 DBU CG C -2.388 5.645 -5.335 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2y 1
. 3 . 483 . 1 1 9 DBU HG1 H -1.644 4.880 -5.145 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2y 1
. 3 . 484 . 1 1 9 DBU HG2 H -1.978 6.389 -6.001 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2y 1
. 3 . 485 . 1 1 9 DBU HG3 H -3.259 5.195 -5.789 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2y 1
. 3 . 486 . 1 1 9 DBU N N -2.972 4.138 -2.875 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2y 1
. 3 . 487 . 1 1 10 CYS C C -4.626 5.747 1.644 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . rr_2l2y 1
. 3 . 488 . 1 1 10 CYS CA C -3.826 6.484 0.595 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . rr_2l2y 1
. 3 . 489 . 1 1 10 CYS CB C -4.632 7.638 0.009 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . rr_2l2y 1
. 3 . 490 . 1 1 10 CYS HA H -2.933 6.890 1.054 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . rr_2l2y 1
. 3 . 491 . 1 1 10 CYS HB2 H -5.675 7.354 -0.094 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB2 . . . . . . . . . rr_2l2y 1
. 3 . 492 . 1 1 10 CYS HB3 H -4.532 8.522 0.614 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . rr_2l2y 1
. 3 . 493 . 1 1 10 CYS N N -3.421 5.617 -0.514 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . rr_2l2y 1
. 3 . 494 . 1 1 10 CYS O O -5.402 6.387 2.354 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . rr_2l2y 1
. 3 . 495 . 1 1 10 CYS SG S -3.871 7.923 -1.597 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . rr_2l2y 1
. 3 . 496 . 1 1 11 . C C -4.040 3.015 3.681 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2y 1
. 3 . 497 . 1 1 11 . CA C -5.102 3.633 2.768 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2y 1
. 3 . 498 . 1 1 11 . CB C -6.005 2.526 2.120 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2y 1
. 3 . 499 . 1 1 11 . CD1 C -7.818 2.290 0.253 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2y 1
. 3 . 500 . 1 1 11 . CG1 C -6.919 3.223 1.053 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2y 1
. 3 . 501 . 1 1 11 . CG2 C -6.832 1.844 3.164 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2y 1
. 3 . 502 . 1 1 11 . H H -3.852 3.986 1.100 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2y 1
. 3 . 503 . 1 1 11 . HA H -5.723 4.294 3.351 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2y 1
. 3 . 504 . 1 1 11 . HD11 H -8.559 1.854 0.908 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2y 1
. 3 . 505 . 1 1 11 . HD12 H -7.221 1.505 -0.188 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2y 1
. 3 . 506 . 1 1 11 . HD13 H -8.312 2.849 -0.528 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2y 1
. 3 . 507 . 1 1 11 . HD2 H -8.547 3.733 2.045 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2y 1
. 3 . 508 . 1 1 11 . HG1 H -6.300 3.767 0.356 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2y 1
. 3 . 509 . 1 1 11 . HG21 H -7.480 1.119 2.695 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2y 1
. 3 . 510 . 1 1 11 . HG22 H -7.431 2.577 3.684 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2y 1
. 3 . 511 . 1 1 11 . HG23 H -6.185 1.344 3.868 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2y 1
. 3 . 512 . 1 1 11 . HG3 H -4.675 1.089 2.127 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2y 1
. 3 . 513 . 1 1 11 . N N -4.445 4.432 1.741 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2y 1
. 3 . 514 . 1 1 11 . OD2 O -7.732 4.160 1.772 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2y 1
. 3 . 515 . 1 1 11 . OG3 O -5.180 1.576 1.472 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2y 1
. 3 . 516 . 1 1 12 . C C -0.876 1.426 4.160 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2y 1
. 3 . 517 . 1 1 12 . CA C -2.181 2.042 4.316 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2y 1
. 3 . 518 . 1 1 12 . CB C -2.798 2.204 5.596 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2y 1
. 3 . 519 . 1 1 12 . HB H -2.376 1.898 6.543 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2y 1
. 3 . 520 . 1 1 12 . N N -2.916 2.512 3.282 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2y 1
. 3 . 521 . 1 1 12 . O O -0.188 1.012 5.094 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2y 1
. 3 . 522 . 1 1 12 . SG S -4.291 2.954 5.382 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2y 1
. 3 . 523 . 1 1 13 THR C C 1.420 1.524 1.342 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2y 1
. 3 . 524 . 1 1 13 THR CA C 0.814 0.769 2.524 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2y 1
. 3 . 525 . 1 1 13 THR CB C 0.712 -0.740 2.209 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2y 1
. 3 . 526 . 1 1 13 THR CG2 C 0.468 -1.555 3.467 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2y 1
. 3 . 527 . 1 1 13 THR H H -1.084 1.655 2.180 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2y 1
. 3 . 528 . 1 1 13 THR HA H 1.466 0.880 3.378 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2y 1
. 3 . 529 . 1 1 13 THR HB H 1.631 -1.074 1.749 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2y 1
. 3 . 530 . 1 1 13 THR HG21 H 0.492 -2.606 3.223 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2y 1
. 3 . 531 . 1 1 13 THR HG22 H -0.498 -1.302 3.876 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2y 1
. 3 . 532 . 1 1 13 THR HG23 H 1.237 -1.334 4.192 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2y 1
. 3 . 533 . 1 1 13 THR N N -0.486 1.335 2.888 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2y 1
. 3 . 534 . 1 1 13 THR OG1 O -0.441 -1.008 1.313 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2y 1
. 3 . 535 . 1 1 14 . C C 4.134 1.948 -0.982 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2y 1
. 3 . 536 . 1 1 14 . CA C 2.841 2.096 -0.228 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2y 1
. 3 . 537 . 1 1 14 . CB C 1.820 3.066 -0.481 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2y 1
. 3 . 538 . 1 1 14 . HB H 1.845 3.820 -1.253 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2y 1
. 3 . 539 . 1 1 14 . N N 2.566 1.261 0.800 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2y 1
. 3 . 540 . 1 1 14 . SG S 0.573 2.838 0.626 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2y 1
. 3 . 541 . 1 1 15 . C C 7.303 1.666 0.946 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2y 1
. 3 . 542 . 1 1 15 . CA C 6.324 1.520 -0.151 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2y 1
. 3 . 543 . 1 1 15 . CB C 6.772 0.782 -1.346 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2y 1
. 3 . 544 . 1 1 15 . HB2 H 7.021 -0.227 -1.062 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2y 1
. 3 . 545 . 1 1 15 . HB3 H 7.654 1.259 -1.753 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2y 1
. 3 . 546 . 1 1 15 . N N 5.169 2.050 0.057 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2y 1
. 3 . 547 . 1 1 16 . C C 10.566 1.056 2.240 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2y 1
. 3 . 548 . 1 1 16 . CA C 9.192 1.466 2.030 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2y 1
. 3 . 549 . 1 1 16 . CB C 8.447 2.195 3.011 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2y 1
. 3 . 550 . 1 1 16 . HB H 8.814 2.506 3.978 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2y 1
. 3 . 551 . 1 1 16 . N N 8.506 1.198 0.897 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2y 1
. 3 . 552 . 1 1 16 . O O 11.207 1.278 3.266 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2y 1
. 3 . 553 . 1 1 16 . SG S 6.902 2.486 2.403 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2y 1
. 3 . 554 . 1 1 17 DHA C C 12.689 -0.724 -0.246 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2y 1
. 3 . 555 . 1 1 17 DHA CA C 12.428 -0.148 1.064 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2y 1
. 3 . 556 . 1 1 17 DHA CB C 13.356 -0.152 2.011 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2y 1
. 3 . 557 . 1 1 17 DHA H H 10.473 0.307 0.414 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2y 1
. 3 . 558 . 1 1 17 DHA HB1 H 14.323 -0.590 1.815 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2y 1
. 3 . 559 . 1 1 17 DHA HB2 H 13.149 0.278 2.977 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2y 1
. 3 . 560 . 1 1 17 DHA N N 11.068 0.412 1.184 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2y 1
. 3 . 561 . 1 1 17 DHA O O 11.781 -0.683 -1.075 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2y 1
. 3 . 562 . 1 1 18 NH2 HN1 H 14.047 -1.653 -1.385 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . rr_2l2y 1
. 3 . 563 . 1 1 18 NH2 HN2 H 14.563 -1.271 0.197 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . rr_2l2y 1
. 3 . 564 . 1 1 18 NH2 N N 13.876 -1.266 -0.501 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . rr_2l2y 1
. 4 . 565 . 1 1 1 QUA C10 C -3.700 -2.403 -2.024 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2y 1
. 4 . 566 . 1 1 1 QUA C11 C -0.168 -1.333 0.071 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2y 1
. 4 . 567 . 1 1 1 QUA C13 C -2.391 -2.708 -4.186 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2y 1
. 4 . 568 . 1 1 1 QUA C14 C -2.403 -4.224 -4.357 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2y 1
. 4 . 569 . 1 1 1 QUA C2 C -1.431 -1.709 -0.644 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2y 1
. 4 . 570 . 1 1 1 QUA C3 C -1.326 -2.009 -1.997 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2y 1
. 4 . 571 . 1 1 1 QUA C4 C -2.478 -2.362 -2.703 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2y 1
. 4 . 572 . 1 1 1 QUA C5 C -4.970 -2.752 -2.690 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2y 1
. 4 . 573 . 1 1 1 QUA C6 C -6.005 -3.123 -2.015 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2y 1
. 4 . 574 . 1 1 1 QUA C7 C -5.959 -3.234 -0.494 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2y 1
. 4 . 575 . 1 1 1 QUA C8 C -5.025 -2.143 0.101 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2y 1
. 4 . 576 . 1 1 1 QUA C9 C -3.712 -2.090 -0.674 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2y 1
. 4 . 577 . 1 1 1 QUA H13 H -3.245 -2.300 -4.703 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2y 1
. 4 . 578 . 1 1 1 QUA H141 H -3.188 -4.653 -3.746 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2y 1
. 4 . 579 . 1 1 1 QUA H142 H -1.449 -4.627 -4.051 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2y 1
. 4 . 580 . 1 1 1 QUA H143 H -2.580 -4.468 -5.393 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2y 1
. 4 . 581 . 1 1 1 QUA H15 H -1.165 -2.412 -5.703 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2y 1
. 4 . 582 . 1 1 1 QUA H16 H -6.611 -0.987 0.308 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2y 1
. 4 . 583 . 1 1 1 QUA HC3 H -0.369 -1.968 -2.494 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2y 1
. 4 . 584 . 1 1 1 QUA HC5 H -5.044 -2.689 -3.764 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2y 1
. 4 . 585 . 1 1 1 QUA HC6 H -6.915 -3.366 -2.540 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2y 1
. 4 . 586 . 1 1 1 QUA HC71 H -6.948 -3.132 -0.082 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2y 1
. 4 . 587 . 1 1 1 QUA HC8 H -4.824 -2.396 1.131 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2y 1
. 4 . 588 . 1 1 1 QUA N1 N -2.607 -1.743 0.044 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2y 1
. 4 . 589 . 1 1 1 QUA O12 O 0.934 -1.310 -0.478 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2y 1
. 4 . 590 . 1 1 1 QUA O15 O -1.200 -2.172 -4.775 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2y 1
. 4 . 591 . 1 1 1 QUA O16 O -5.689 -0.874 0.064 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2y 1
. 4 . 592 . 1 1 2 ILE C C -4.450 -5.169 1.975 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2y 1
. 4 . 593 . 1 1 2 ILE CA C -5.728 -5.106 1.146 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2y 1
. 4 . 594 . 1 1 2 ILE CB C -6.389 -6.506 1.109 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2y 1
. 4 . 595 . 1 1 2 ILE CD1 C -5.285 -7.223 -1.126 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2y 1
. 4 . 596 . 1 1 2 ILE CG1 C -5.525 -7.536 0.344 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2y 1
. 4 . 597 . 1 1 2 ILE CG2 C -7.785 -6.417 0.506 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2y 1
. 4 . 598 . 1 1 2 ILE H H -4.477 -4.624 -0.379 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2y 1
. 4 . 599 . 1 1 2 ILE HA H -6.415 -4.417 1.617 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2y 1
. 4 . 600 . 1 1 2 ILE HB H -6.500 -6.841 2.130 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2y 1
. 4 . 601 . 1 1 2 ILE HD11 H -4.964 -8.120 -1.635 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2y 1
. 4 . 602 . 1 1 2 ILE HD12 H -4.516 -6.468 -1.218 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2y 1
. 4 . 603 . 1 1 2 ILE HD13 H -6.197 -6.863 -1.577 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2y 1
. 4 . 604 . 1 1 2 ILE HG12 H -4.560 -7.608 0.821 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2y 1
. 4 . 605 . 1 1 2 ILE HG13 H -6.011 -8.500 0.397 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2y 1
. 4 . 606 . 1 1 2 ILE HG21 H -8.435 -5.886 1.185 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2y 1
. 4 . 607 . 1 1 2 ILE HG22 H -8.170 -7.413 0.342 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2y 1
. 4 . 608 . 1 1 2 ILE HG23 H -7.738 -5.889 -0.435 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2y 1
. 4 . 609 . 1 1 2 ILE N N -5.444 -4.605 -0.222 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2y 1
. 4 . 610 . 1 1 2 ILE O O -4.456 -4.886 3.173 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2y 1
. 4 . 611 . 1 1 3 ALA C C -0.948 -5.848 0.938 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2y 1
. 4 . 612 . 1 1 3 ALA CA C -2.052 -5.639 1.970 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2y 1
. 4 . 613 . 1 1 3 ALA CB C -2.044 -6.773 2.986 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2y 1
. 4 . 614 . 1 1 3 ALA H H -3.424 -5.760 0.365 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2y 1
. 4 . 615 . 1 1 3 ALA HA H -1.871 -4.712 2.494 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2y 1
. 4 . 616 . 1 1 3 ALA HB1 H -2.307 -7.698 2.495 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2y 1
. 4 . 617 . 1 1 3 ALA HB2 H -2.761 -6.564 3.766 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2y 1
. 4 . 618 . 1 1 3 ALA HB3 H -1.059 -6.862 3.418 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2y 1
. 4 . 619 . 1 1 3 ALA N N -3.354 -5.544 1.318 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2y 1
. 4 . 620 . 1 1 3 ALA O O -0.911 -6.876 0.262 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2y 1
. 4 . 621 . 1 1 4 DHA C C 2.106 -3.907 0.335 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2y 1
. 4 . 622 . 1 1 4 DHA CA C 1.082 -4.830 -0.097 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2y 1
. 4 . 623 . 1 1 4 DHA CB C 1.210 -5.546 -1.204 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2y 1
. 4 . 624 . 1 1 4 DHA H H -0.141 -4.110 1.446 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2y 1
. 4 . 625 . 1 1 4 DHA HB1 H 0.435 -6.234 -1.495 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2y 1
. 4 . 626 . 1 1 4 DHA HB2 H 2.098 -5.446 -1.811 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2y 1
. 4 . 627 . 1 1 4 DHA N N -0.050 -4.869 0.830 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2y 1
. 4 . 628 . 1 1 4 DHA O O 1.906 -3.311 1.391 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2y 1
. 4 . 629 . 1 1 5 ALA C C 4.459 -1.750 -1.108 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2y 1
. 4 . 630 . 1 1 5 ALA CA C 4.215 -2.774 -0.009 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2y 1
. 4 . 631 . 1 1 5 ALA CB C 5.485 -3.525 0.337 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2y 1
. 4 . 632 . 1 1 5 ALA H H 3.290 -4.223 -1.239 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2y 1
. 4 . 633 . 1 1 5 ALA HA H 3.877 -2.259 0.878 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2y 1
. 4 . 634 . 1 1 5 ALA HB1 H 5.882 -3.988 -0.554 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2y 1
. 4 . 635 . 1 1 5 ALA HB2 H 5.255 -4.288 1.067 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2y 1
. 4 . 636 . 1 1 5 ALA HB3 H 6.211 -2.839 0.746 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2y 1
. 4 . 637 . 1 1 5 ALA N N 3.184 -3.718 -0.405 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2y 1
. 4 . 638 . 1 1 5 ALA O O 4.851 -2.104 -2.220 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2y 1
. 4 . 639 . 1 1 6 SER C C 3.249 0.443 -2.832 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2y 1
. 4 . 640 . 1 1 6 SER CA C 4.290 0.611 -1.826 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2y 1
. 4 . 641 . 1 1 6 SER CB C 5.716 0.694 -2.441 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2y 1
. 4 . 642 . 1 1 6 SER H H 3.988 -0.251 0.138 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2y 1
. 4 . 643 . 1 1 6 SER HB2 H 5.912 -0.189 -3.030 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2y 1
. 4 . 644 . 1 1 6 SER HB3 H 5.787 1.569 -3.072 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2y 1
. 4 . 645 . 1 1 6 SER N N 4.216 -0.475 -0.787 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2y 1
. 4 . 646 . 1 1 7 . C C -0.123 0.787 -3.961 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2y 1
. 4 . 647 . 1 1 7 . CA C 1.291 0.496 -3.832 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2y 1
. 4 . 648 . 1 1 7 . CB C 2.048 -0.116 -4.874 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2y 1
. 4 . 649 . 1 1 7 . HB H 1.665 -0.423 -5.836 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2y 1
. 4 . 650 . 1 1 7 . N N 2.004 0.785 -2.724 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2y 1
. 4 . 651 . 1 1 7 . O O -0.788 0.569 -4.975 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2y 1
. 4 . 652 . 1 1 7 . SG S 3.639 -0.279 -4.349 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2y 1
. 4 . 653 . 1 1 8 THR C C -1.838 3.430 -2.671 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2y 1
. 4 . 654 . 1 1 8 THR CA C -1.967 1.924 -2.847 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2y 1
. 4 . 655 . 1 1 8 THR CB C -2.884 1.353 -1.744 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2y 1
. 4 . 656 . 1 1 8 THR CG2 C -2.279 1.544 -0.362 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2y 1
. 4 . 657 . 1 1 8 THR H H -0.143 1.250 -2.011 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2y 1
. 4 . 658 . 1 1 8 THR HA H -2.429 1.727 -3.805 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2y 1
. 4 . 659 . 1 1 8 THR HB H -3.013 0.297 -1.920 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2y 1
. 4 . 660 . 1 1 8 THR HG1 H -4.625 1.855 -0.962 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2y 1
. 4 . 661 . 1 1 8 THR HG21 H -2.878 1.022 0.370 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2y 1
. 4 . 662 . 1 1 8 THR HG22 H -2.254 2.596 -0.120 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2y 1
. 4 . 663 . 1 1 8 THR HG23 H -1.275 1.149 -0.353 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2y 1
. 4 . 664 . 1 1 8 THR N N -0.649 1.300 -2.849 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2y 1
. 4 . 665 . 1 1 8 THR O O -0.760 3.938 -2.367 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2y 1
. 4 . 666 . 1 1 8 THR OG1 O -4.167 1.990 -1.795 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2y 1
. 4 . 667 . 1 1 9 DBU C C -3.411 6.230 -1.602 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2y 1
. 4 . 668 . 1 1 9 DBU CA C -3.004 5.599 -2.877 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2y 1
. 4 . 669 . 1 1 9 DBU CB C -2.718 6.332 -3.940 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2y 1
. 4 . 670 . 1 1 9 DBU CG C -2.284 5.705 -5.273 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2y 1
. 4 . 671 . 1 1 9 DBU HG1 H -3.142 5.267 -5.761 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2y 1
. 4 . 672 . 1 1 9 DBU HG2 H -1.548 4.933 -5.081 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2y 1
. 4 . 673 . 1 1 9 DBU HG3 H -1.854 6.465 -5.907 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2y 1
. 4 . 674 . 1 1 9 DBU N N -2.939 4.139 -2.862 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2y 1
. 4 . 675 . 1 1 10 CYS C C -4.675 5.660 1.668 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . rr_2l2y 1
. 4 . 676 . 1 1 10 CYS CA C -3.880 6.423 0.632 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . rr_2l2y 1
. 4 . 677 . 1 1 10 CYS CB C -4.704 7.562 0.041 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . rr_2l2y 1
. 4 . 678 . 1 1 10 CYS HA H -3.004 6.847 1.105 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . rr_2l2y 1
. 4 . 679 . 1 1 10 CYS HB2 H -5.734 7.250 -0.095 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB2 . . . . . . . . . rr_2l2y 1
. 4 . 680 . 1 1 10 CYS HB3 H -4.645 8.439 0.661 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . rr_2l2y 1
. 4 . 681 . 1 1 10 CYS N N -3.437 5.576 -0.476 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . rr_2l2y 1
. 4 . 682 . 1 1 10 CYS O O -5.459 6.283 2.387 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . rr_2l2y 1
. 4 . 683 . 1 1 10 CYS SG S -3.904 7.889 -1.537 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . rr_2l2y 1
. 4 . 684 . 1 1 11 . C C -3.994 2.999 3.713 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2y 1
. 4 . 685 . 1 1 11 . CA C -5.093 3.536 2.798 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2y 1
. 4 . 686 . 1 1 11 . CB C -5.938 2.365 2.186 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2y 1
. 4 . 687 . 1 1 11 . CD1 C -7.726 1.974 0.325 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2y 1
. 4 . 688 . 1 1 11 . CG1 C -6.869 2.978 1.084 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2y 1
. 4 . 689 . 1 1 11 . CG2 C -6.748 1.687 3.246 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2y 1
. 4 . 690 . 1 1 11 . H H -3.917 3.907 1.078 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2y 1
. 4 . 691 . 1 1 11 . HA H -5.746 4.178 3.370 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2y 1
. 4 . 692 . 1 1 11 . HD11 H -8.449 1.534 0.997 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2y 1
. 4 . 693 . 1 1 11 . HD12 H -7.096 1.198 -0.083 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2y 1
. 4 . 694 . 1 1 11 . HD13 H -8.243 2.477 -0.479 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2y 1
. 4 . 695 . 1 1 11 . HD2 H -8.626 3.799 1.456 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2y 1
. 4 . 696 . 1 1 11 . HG1 H -6.266 3.511 0.365 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2y 1
. 4 . 697 . 1 1 11 . HG21 H -7.307 0.873 2.808 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2y 1
. 4 . 698 . 1 1 11 . HG22 H -7.433 2.398 3.686 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2y 1
. 4 . 699 . 1 1 11 . HG23 H -6.092 1.300 4.010 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2y 1
. 4 . 700 . 1 1 11 . HG3 H -5.130 0.588 2.042 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2y 1
. 4 . 701 . 1 1 11 . N N -4.484 4.345 1.747 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2y 1
. 4 . 702 . 1 1 11 . OD2 O -7.721 3.916 1.755 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2y 1
. 4 . 703 . 1 1 11 . OG3 O -5.065 1.429 1.582 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2y 1
. 4 . 704 . 1 1 12 . C C -0.788 1.499 4.180 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2y 1
. 4 . 705 . 1 1 12 . CA C -2.097 2.102 4.344 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2y 1
. 4 . 706 . 1 1 12 . CB C -2.674 2.337 5.633 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2y 1
. 4 . 707 . 1 1 12 . HB H -2.215 2.100 6.582 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2y 1
. 4 . 708 . 1 1 12 . N N -2.875 2.490 3.310 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2y 1
. 4 . 709 . 1 1 12 . O O -0.064 1.147 5.111 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2y 1
. 4 . 710 . 1 1 12 . SG S -4.187 3.047 5.422 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2y 1
. 4 . 711 . 1 1 13 THR C C 1.440 1.533 1.328 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2y 1
. 4 . 712 . 1 1 13 THR CA C 0.857 0.784 2.524 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2y 1
. 4 . 713 . 1 1 13 THR CB C 0.755 -0.727 2.227 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2y 1
. 4 . 714 . 1 1 13 THR CG2 C 0.519 -1.525 3.497 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2y 1
. 4 . 715 . 1 1 13 THR H H -1.063 1.626 2.199 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2y 1
. 4 . 716 . 1 1 13 THR HA H 1.522 0.906 3.367 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2y 1
. 4 . 717 . 1 1 13 THR HB H 1.672 -1.066 1.766 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2y 1
. 4 . 718 . 1 1 13 THR HG21 H -0.439 -1.258 3.917 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2y 1
. 4 . 719 . 1 1 13 THR HG22 H 1.299 -1.303 4.211 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2y 1
. 4 . 720 . 1 1 13 THR HG23 H 0.531 -2.579 3.268 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2y 1
. 4 . 721 . 1 1 13 THR N N -0.439 1.350 2.901 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2y 1
. 4 . 722 . 1 1 13 THR OG1 O -0.404 -1.007 1.341 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2y 1
. 4 . 723 . 1 1 14 . C C 4.121 1.958 -1.033 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2y 1
. 4 . 724 . 1 1 14 . CA C 2.835 2.103 -0.264 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2y 1
. 4 . 725 . 1 1 14 . CB C 1.804 3.061 -0.515 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2y 1
. 4 . 726 . 1 1 14 . HB H 1.812 3.807 -1.294 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2y 1
. 4 . 727 . 1 1 14 . N N 2.583 1.274 0.775 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2y 1
. 4 . 728 . 1 1 14 . SG S 0.573 2.831 0.610 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2y 1
. 4 . 729 . 1 1 15 . C C 7.304 1.842 0.885 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2y 1
. 4 . 730 . 1 1 15 . CA C 6.323 1.603 -0.195 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2y 1
. 4 . 731 . 1 1 15 . CB C 6.771 0.791 -1.340 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2y 1
. 4 . 732 . 1 1 15 . HB2 H 6.997 -0.205 -0.996 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2y 1
. 4 . 733 . 1 1 15 . HB3 H 7.664 1.228 -1.763 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2y 1
. 4 . 734 . 1 1 15 . N N 5.165 2.136 -0.015 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2y 1
. 4 . 735 . 1 1 16 . C C 10.578 1.389 2.216 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2y 1
. 4 . 736 . 1 1 16 . CA C 9.197 1.757 1.975 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2y 1
. 4 . 737 . 1 1 16 . CB C 8.441 2.545 2.901 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2y 1
. 4 . 738 . 1 1 16 . HB H 8.804 2.933 3.841 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2y 1
. 4 . 739 . 1 1 16 . N N 8.514 1.392 0.867 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2y 1
. 4 . 740 . 1 1 16 . O O 11.214 1.704 3.222 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2y 1
. 4 . 741 . 1 1 16 . SG S 6.892 2.763 2.277 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2y 1
. 4 . 742 . 1 1 17 DHA C C 12.708 -0.644 -0.063 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2y 1
. 4 . 743 . 1 1 17 DHA CA C 12.469 0.139 1.138 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2y 1
. 4 . 744 . 1 1 17 DHA CB C 13.427 0.327 2.035 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2y 1
. 4 . 745 . 1 1 17 DHA H H 10.493 0.467 0.470 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2y 1
. 4 . 746 . 1 1 17 DHA HB1 H 14.404 -0.105 1.877 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2y 1
. 4 . 747 . 1 1 17 DHA HB2 H 13.236 0.910 2.920 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2y 1
. 4 . 748 . 1 1 17 DHA N N 11.093 0.666 1.219 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2y 1
. 4 . 749 . 1 1 17 DHA O O 11.771 -0.776 -0.852 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2y 1
. 4 . 750 . 1 1 18 NH2 HN1 H 14.061 -1.710 -1.082 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . rr_2l2y 1
. 4 . 751 . 1 1 18 NH2 HN2 H 14.615 -1.047 0.390 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . rr_2l2y 1
. 4 . 752 . 1 1 18 NH2 N N 13.904 -1.183 -0.270 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . rr_2l2y 1
. 5 . 753 . 1 1 1 QUA C10 C -3.686 -2.415 -2.033 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2y 1
. 5 . 754 . 1 1 1 QUA C11 C -0.169 -1.318 0.068 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2y 1
. 5 . 755 . 1 1 1 QUA C13 C -2.371 -2.711 -4.195 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2y 1
. 5 . 756 . 1 1 1 QUA C14 C -2.368 -4.225 -4.366 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2y 1
. 5 . 757 . 1 1 1 QUA C2 C -1.426 -1.704 -0.649 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2y 1
. 5 . 758 . 1 1 1 QUA C3 C -1.316 -2.004 -2.002 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2y 1
. 5 . 759 . 1 1 1 QUA C4 C -2.463 -2.365 -2.711 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2y 1
. 5 . 760 . 1 1 1 QUA C5 C -4.952 -2.774 -2.700 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2y 1
. 5 . 761 . 1 1 1 QUA C6 C -5.986 -3.152 -2.024 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2y 1
. 5 . 762 . 1 1 1 QUA C7 C -5.943 -3.258 -0.501 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2y 1
. 5 . 763 . 1 1 1 QUA C8 C -5.016 -2.164 0.094 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2y 1
. 5 . 764 . 1 1 1 QUA C9 C -3.702 -2.102 -0.681 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2y 1
. 5 . 765 . 1 1 1 QUA H13 H -3.228 -2.311 -4.713 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2y 1
. 5 . 766 . 1 1 1 QUA H141 H -1.429 -4.626 -4.014 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2y 1
. 5 . 767 . 1 1 1 QUA H142 H -2.496 -4.470 -5.410 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2y 1
. 5 . 768 . 1 1 1 QUA H143 H -3.179 -4.658 -3.791 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2y 1
. 5 . 769 . 1 1 1 QUA H15 H -1.034 -2.568 -5.640 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2y 1
. 5 . 770 . 1 1 1 QUA H16 H -5.432 -0.421 -0.733 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2y 1
. 5 . 771 . 1 1 1 QUA HC3 H -0.357 -1.955 -2.498 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2y 1
. 5 . 772 . 1 1 1 QUA HC5 H -5.025 -2.716 -3.772 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2y 1
. 5 . 773 . 1 1 1 QUA HC6 H -6.893 -3.403 -2.549 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2y 1
. 5 . 774 . 1 1 1 QUA HC71 H -6.936 -3.157 -0.093 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2y 1
. 5 . 775 . 1 1 1 QUA HC8 H -4.812 -2.418 1.123 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2y 1
. 5 . 776 . 1 1 1 QUA N1 N -2.602 -1.746 0.037 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2y 1
. 5 . 777 . 1 1 1 QUA O12 O 0.935 -1.287 -0.476 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2y 1
. 5 . 778 . 1 1 1 QUA O15 O -1.183 -2.164 -4.781 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2y 1
. 5 . 779 . 1 1 1 QUA O16 O -5.688 -0.899 0.059 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2y 1
. 5 . 780 . 1 1 2 ILE C C -4.430 -5.150 1.984 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2y 1
. 5 . 781 . 1 1 2 ILE CA C -5.706 -5.121 1.150 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2y 1
. 5 . 782 . 1 1 2 ILE CB C -6.332 -6.539 1.124 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2y 1
. 5 . 783 . 1 1 2 ILE CD1 C -5.197 -7.241 -1.101 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2y 1
. 5 . 784 . 1 1 2 ILE CG1 C -5.439 -7.553 0.369 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2y 1
. 5 . 785 . 1 1 2 ILE CG2 C -7.728 -6.489 0.518 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2y 1
. 5 . 786 . 1 1 2 ILE H H -4.460 -4.648 -0.384 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2y 1
. 5 . 787 . 1 1 2 ILE HA H -6.411 -4.445 1.612 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2y 1
. 5 . 788 . 1 1 2 ILE HB H -6.436 -6.867 2.148 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2y 1
. 5 . 789 . 1 1 2 ILE HD11 H -6.106 -6.872 -1.551 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2y 1
. 5 . 790 . 1 1 2 ILE HD12 H -4.887 -8.141 -1.611 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2y 1
. 5 . 791 . 1 1 2 ILE HD13 H -4.420 -6.494 -1.195 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2y 1
. 5 . 792 . 1 1 2 ILE HG12 H -4.477 -7.601 0.852 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2y 1
. 5 . 793 . 1 1 2 ILE HG13 H -5.903 -8.528 0.424 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2y 1
. 5 . 794 . 1 1 2 ILE HG21 H -8.091 -7.495 0.370 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2y 1
. 5 . 795 . 1 1 2 ILE HG22 H -7.691 -5.976 -0.432 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2y 1
. 5 . 796 . 1 1 2 ILE HG23 H -8.391 -5.961 1.188 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2y 1
. 5 . 797 . 1 1 2 ILE N N -5.427 -4.628 -0.224 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2y 1
. 5 . 798 . 1 1 2 ILE O O -4.440 -4.822 3.171 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2y 1
. 5 . 799 . 1 1 3 ALA C C -0.928 -5.834 0.973 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2y 1
. 5 . 800 . 1 1 3 ALA CA C -2.031 -5.607 1.999 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2y 1
. 5 . 801 . 1 1 3 ALA CB C -2.010 -6.713 3.046 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2y 1
. 5 . 802 . 1 1 3 ALA H H -3.399 -5.798 0.401 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2y 1
. 5 . 803 . 1 1 3 ALA HA H -1.859 -4.663 2.498 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2y 1
. 5 . 804 . 1 1 3 ALA HB1 H -2.752 -6.507 3.804 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2y 1
. 5 . 805 . 1 1 3 ALA HB2 H -1.032 -6.757 3.503 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2y 1
. 5 . 806 . 1 1 3 ALA HB3 H -2.230 -7.659 2.574 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2y 1
. 5 . 807 . 1 1 3 ALA N N -3.331 -5.543 1.345 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2y 1
. 5 . 808 . 1 1 3 ALA O O -0.882 -6.880 0.326 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2y 1
. 5 . 809 . 1 1 4 DHA C C 2.111 -3.897 0.319 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2y 1
. 5 . 810 . 1 1 4 DHA CA C 1.087 -4.827 -0.095 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2y 1
. 5 . 811 . 1 1 4 DHA CB C 1.212 -5.560 -1.190 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2y 1
. 5 . 812 . 1 1 4 DHA H H -0.134 -4.078 1.435 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2y 1
. 5 . 813 . 1 1 4 DHA HB1 H 0.436 -6.255 -1.468 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2y 1
. 5 . 814 . 1 1 4 DHA HB2 H 2.098 -5.470 -1.801 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2y 1
. 5 . 815 . 1 1 4 DHA N N -0.041 -4.851 0.837 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2y 1
. 5 . 816 . 1 1 4 DHA O O 1.913 -3.281 1.363 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2y 1
. 5 . 817 . 1 1 5 ALA C C 4.458 -1.757 -1.134 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2y 1
. 5 . 818 . 1 1 5 ALA CA C 4.228 -2.788 -0.038 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2y 1
. 5 . 819 . 1 1 5 ALA CB C 5.501 -3.542 0.283 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2y 1
. 5 . 820 . 1 1 5 ALA H H 3.291 -4.243 -1.250 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2y 1
. 5 . 821 . 1 1 5 ALA HA H 3.906 -2.276 0.858 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2y 1
. 5 . 822 . 1 1 5 ALA HB1 H 6.241 -2.858 0.666 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2y 1
. 5 . 823 . 1 1 5 ALA HB2 H 5.874 -4.016 -0.613 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2y 1
. 5 . 824 . 1 1 5 ALA HB3 H 5.285 -4.297 1.027 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2y 1
. 5 . 825 . 1 1 5 ALA N N 3.189 -3.727 -0.423 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2y 1
. 5 . 826 . 1 1 5 ALA O O 4.843 -2.104 -2.250 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2y 1
. 5 . 827 . 1 1 6 SER C C 3.231 0.460 -2.832 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2y 1
. 5 . 828 . 1 1 6 SER CA C 4.281 0.609 -1.830 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2y 1
. 5 . 829 . 1 1 6 SER CB C 5.704 0.686 -2.455 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2y 1
. 5 . 830 . 1 1 6 SER H H 3.971 -0.274 0.122 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2y 1
. 5 . 831 . 1 1 6 SER HB2 H 5.886 -0.189 -3.059 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2y 1
. 5 . 832 . 1 1 6 SER HB3 H 5.780 1.570 -3.071 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2y 1
. 5 . 833 . 1 1 6 SER N N 4.207 -0.488 -0.805 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2y 1
. 5 . 834 . 1 1 7 . C C -0.149 0.810 -3.937 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2y 1
. 5 . 835 . 1 1 7 . CA C 1.267 0.525 -3.819 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2y 1
. 5 . 836 . 1 1 7 . CB C 2.020 -0.062 -4.878 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2y 1
. 5 . 837 . 1 1 7 . HB H 1.634 -0.352 -5.844 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2y 1
. 5 . 838 . 1 1 7 . N N 1.986 0.794 -2.709 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2y 1
. 5 . 839 . 1 1 7 . O O -0.820 0.594 -4.946 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2y 1
. 5 . 840 . 1 1 7 . SG S 3.615 -0.229 -4.367 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2y 1
. 5 . 841 . 1 1 8 THR C C -1.880 3.439 -2.642 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2y 1
. 5 . 842 . 1 1 8 THR CA C -1.993 1.930 -2.808 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2y 1
. 5 . 843 . 1 1 8 THR CB C -2.890 1.355 -1.691 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2y 1
. 5 . 844 . 1 1 8 THR CG2 C -2.268 1.557 -0.317 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2y 1
. 5 . 845 . 1 1 8 THR H H -0.149 1.291 -1.991 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2y 1
. 5 . 846 . 1 1 8 THR HA H -2.463 1.722 -3.758 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2y 1
. 5 . 847 . 1 1 8 THR HB H -3.010 0.296 -1.862 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2y 1
. 5 . 848 . 1 1 8 THR HG1 H -4.462 2.181 -0.834 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2y 1
. 5 . 849 . 1 1 8 THR HG21 H -2.243 2.610 -0.081 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2y 1
. 5 . 850 . 1 1 8 THR HG22 H -1.264 1.164 -0.316 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2y 1
. 5 . 851 . 1 1 8 THR HG23 H -2.858 1.036 0.425 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2y 1
. 5 . 852 . 1 1 8 THR N N -0.668 1.324 -2.823 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2y 1
. 5 . 853 . 1 1 8 THR O O -0.812 3.960 -2.325 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2y 1
. 5 . 854 . 1 1 8 THR OG1 O -4.179 1.978 -1.728 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2y 1
. 5 . 855 . 1 1 9 DBU C C -3.405 6.235 -1.600 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2y 1
. 5 . 856 . 1 1 9 DBU CA C -3.065 5.591 -2.887 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2y 1
. 5 . 857 . 1 1 9 DBU CB C -2.847 6.310 -3.974 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2y 1
. 5 . 858 . 1 1 9 DBU CG C -2.484 5.662 -5.318 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2y 1
. 5 . 859 . 1 1 9 DBU HG1 H -1.749 4.883 -5.151 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2y 1
. 5 . 860 . 1 1 9 DBU HG2 H -2.073 6.409 -5.980 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2y 1
. 5 . 861 . 1 1 9 DBU HG3 H -3.368 5.232 -5.762 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2y 1
. 5 . 862 . 1 1 9 DBU N N -2.985 4.133 -2.855 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2y 1
. 5 . 863 . 1 1 10 CYS C C -4.548 5.695 1.717 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . rr_2l2y 1
. 5 . 864 . 1 1 10 CYS CA C -3.773 6.440 0.653 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . rr_2l2y 1
. 5 . 865 . 1 1 10 CYS CB C -4.596 7.597 0.096 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . rr_2l2y 1
. 5 . 866 . 1 1 10 CYS HA H -2.871 6.843 1.094 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . rr_2l2y 1
. 5 . 867 . 1 1 10 CYS HB2 H -5.639 7.311 0.010 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB2 . . . . . . . . . rr_2l2y 1
. 5 . 868 . 1 1 10 CYS HB3 H -4.487 8.476 0.707 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . rr_2l2y 1
. 5 . 869 . 1 1 10 CYS N N -3.394 5.584 -0.472 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . rr_2l2y 1
. 5 . 870 . 1 1 10 CYS O O -5.156 6.346 2.568 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . rr_2l2y 1
. 5 . 871 . 1 1 10 CYS SG S -3.866 7.902 -1.520 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . rr_2l2y 1
. 5 . 872 . 1 1 11 . C C -4.061 2.999 3.641 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2y 1
. 5 . 873 . 1 1 11 . CA C -5.149 3.553 2.719 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2y 1
. 5 . 874 . 1 1 11 . CB C -6.005 2.398 2.091 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2y 1
. 5 . 875 . 1 1 11 . CD1 C -7.835 2.066 0.258 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2y 1
. 5 . 876 . 1 1 11 . CG1 C -7.003 3.048 1.072 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2y 1
. 5 . 877 . 1 1 11 . CG2 C -6.748 1.649 3.153 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2y 1
. 5 . 878 . 1 1 11 . H H -4.085 3.917 0.927 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2y 1
. 5 . 879 . 1 1 11 . HA H -5.799 4.198 3.292 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2y 1
. 5 . 880 . 1 1 11 . HD11 H -8.402 2.606 -0.486 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2y 1
. 5 . 881 . 1 1 11 . HD12 H -8.513 1.539 0.914 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2y 1
. 5 . 882 . 1 1 11 . HD13 H -7.182 1.359 -0.229 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2y 1
. 5 . 883 . 1 1 11 . HD2 H -8.201 4.601 1.298 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2y 1
. 5 . 884 . 1 1 11 . HG1 H -6.453 3.671 0.383 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2y 1
. 5 . 885 . 1 1 11 . HG21 H -7.335 0.866 2.697 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2y 1
. 5 . 886 . 1 1 11 . HG22 H -7.401 2.327 3.683 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2y 1
. 5 . 887 . 1 1 11 . HG23 H -6.046 1.212 3.846 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2y 1
. 5 . 888 . 1 1 11 . HG3 H -4.777 0.876 2.013 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2y 1
. 5 . 889 . 1 1 11 . N N -4.528 4.365 1.678 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2y 1
. 5 . 890 . 1 1 11 . OD2 O -7.878 3.882 1.845 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2y 1
. 5 . 891 . 1 1 11 . OG3 O -5.146 1.512 1.397 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2y 1
. 5 . 892 . 1 1 12 . C C -0.856 1.498 4.148 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2y 1
. 5 . 893 . 1 1 12 . CA C -2.172 2.093 4.294 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2y 1
. 5 . 894 . 1 1 12 . CB C -2.779 2.296 5.573 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2y 1
. 5 . 895 . 1 1 12 . HB H -2.340 2.040 6.526 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2y 1
. 5 . 896 . 1 1 12 . N N -2.930 2.503 3.249 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2y 1
. 5 . 897 . 1 1 12 . O O -0.152 1.134 5.090 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2y 1
. 5 . 898 . 1 1 12 . SG S -4.290 3.004 5.346 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2y 1
. 5 . 899 . 1 1 13 THR C C 1.433 1.552 1.329 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2y 1
. 5 . 900 . 1 1 13 THR CA C 0.832 0.808 2.522 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2y 1
. 5 . 901 . 1 1 13 THR CB C 0.739 -0.704 2.229 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2y 1
. 5 . 902 . 1 1 13 THR CG2 C 0.502 -1.501 3.499 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2y 1
. 5 . 903 . 1 1 13 THR H H -1.080 1.659 2.163 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2y 1
. 5 . 904 . 1 1 13 THR HA H 1.482 0.937 3.374 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2y 1
. 5 . 905 . 1 1 13 THR HB H 1.661 -1.040 1.774 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2y 1
. 5 . 906 . 1 1 13 THR HG21 H -0.464 -1.247 3.906 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2y 1
. 5 . 907 . 1 1 13 THR HG22 H 1.270 -1.266 4.220 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2y 1
. 5 . 908 . 1 1 13 THR HG23 H 0.531 -2.556 3.271 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2y 1
. 5 . 909 . 1 1 13 THR N N -0.474 1.371 2.876 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2y 1
. 5 . 910 . 1 1 13 THR OG1 O -0.412 -0.992 1.337 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2y 1
. 5 . 911 . 1 1 14 . C C 4.136 1.944 -1.016 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2y 1
. 5 . 912 . 1 1 14 . CA C 2.847 2.103 -0.254 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2y 1
. 5 . 913 . 1 1 14 . CB C 1.829 3.075 -0.510 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2y 1
. 5 . 914 . 1 1 14 . HB H 1.853 3.821 -1.290 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2y 1
. 5 . 915 . 1 1 14 . N N 2.576 1.279 0.784 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2y 1
. 5 . 916 . 1 1 14 . SG S 0.587 2.862 0.606 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2y 1
. 5 . 917 . 1 1 15 . C C 7.317 1.699 0.898 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2y 1
. 5 . 918 . 1 1 15 . CA C 6.329 1.526 -0.187 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2y 1
. 5 . 919 . 1 1 15 . CB C 6.767 0.753 -1.361 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2y 1
. 5 . 920 . 1 1 15 . HB2 H 7.001 -0.252 -1.052 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2y 1
. 5 . 921 . 1 1 15 . HB3 H 7.656 1.207 -1.779 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2y 1
. 5 . 922 . 1 1 15 . N N 5.179 2.068 0.014 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2y 1
. 5 . 923 . 1 1 16 . C C 10.591 1.112 2.171 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2y 1
. 5 . 924 . 1 1 16 . CA C 9.216 1.522 1.966 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2y 1
. 5 . 925 . 1 1 16 . CB C 8.483 2.278 2.936 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2y 1
. 5 . 926 . 1 1 16 . HB H 8.860 2.613 3.891 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2y 1
. 5 . 927 . 1 1 16 . N N 8.517 1.226 0.849 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2y 1
. 5 . 928 . 1 1 16 . O O 11.250 1.368 3.178 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2y 1
. 5 . 929 . 1 1 16 . SG S 6.932 2.558 2.336 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2y 1
. 5 . 930 . 1 1 17 DHA C C 12.613 -0.895 -0.223 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2y 1
. 5 . 931 . 1 1 17 DHA CA C 12.429 -0.136 1.005 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2y 1
. 5 . 932 . 1 1 17 DHA CB C 13.419 0.012 1.874 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2y 1
. 5 . 933 . 1 1 17 DHA H H 10.446 0.251 0.398 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2y 1
. 5 . 934 . 1 1 17 DHA HB1 H 14.382 -0.435 1.676 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2y 1
. 5 . 935 . 1 1 17 DHA HB2 H 13.267 0.578 2.780 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2y 1
. 5 . 936 . 1 1 17 DHA N N 11.068 0.414 1.138 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2y 1
. 5 . 937 . 1 1 17 DHA O O 11.649 -0.987 -0.982 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2y 1
. 5 . 938 . 1 1 18 NH2 HN1 H 13.910 -1.961 -1.311 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . rr_2l2y 1
. 5 . 939 . 1 1 18 NH2 HN2 H 14.525 -1.347 0.157 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . rr_2l2y 1
. 5 . 940 . 1 1 18 NH2 N N 13.791 -1.452 -0.483 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . rr_2l2y 1
. 6 . 941 . 1 1 1 QUA C10 C -3.661 -2.431 -2.063 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2y 1
. 6 . 942 . 1 1 1 QUA C11 C -0.162 -1.322 0.065 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2y 1
. 6 . 943 . 1 1 1 QUA C13 C -2.322 -2.757 -4.204 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2y 1
. 6 . 944 . 1 1 1 QUA C14 C -2.335 -4.276 -4.358 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2y 1
. 6 . 945 . 1 1 1 QUA C2 C -1.414 -1.711 -0.662 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2y 1
. 6 . 946 . 1 1 1 QUA C3 C -1.290 -2.027 -2.009 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2y 1
. 6 . 947 . 1 1 1 QUA C4 C -2.430 -2.394 -2.727 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2y 1
. 6 . 948 . 1 1 1 QUA C5 C -4.921 -2.792 -2.740 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2y 1
. 6 . 949 . 1 1 1 QUA C6 C -5.963 -3.160 -2.073 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2y 1
. 6 . 950 . 1 1 1 QUA C7 C -5.936 -3.249 -0.548 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2y 1
. 6 . 951 . 1 1 1 QUA C8 C -5.015 -2.149 0.043 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2y 1
. 6 . 952 . 1 1 1 QUA C9 C -3.692 -2.100 -0.716 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2y 1
. 6 . 953 . 1 1 1 QUA H13 H -3.167 -2.353 -4.739 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2y 1
. 6 . 954 . 1 1 1 QUA H141 H -2.521 -4.531 -5.391 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2y 1
. 6 . 955 . 1 1 1 QUA H142 H -3.114 -4.697 -3.735 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2y 1
. 6 . 956 . 1 1 1 QUA H143 H -1.378 -4.676 -4.055 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2y 1
. 6 . 957 . 1 1 1 QUA H15 H -1.142 -2.352 -5.732 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2y 1
. 6 . 958 . 1 1 1 QUA H16 H -5.159 -0.268 -0.537 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2y 1
. 6 . 959 . 1 1 1 QUA HC3 H -0.326 -1.989 -2.495 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2y 1
. 6 . 960 . 1 1 1 QUA HC5 H -4.981 -2.745 -3.815 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2y 1
. 6 . 961 . 1 1 1 QUA HC6 H -6.866 -3.413 -2.606 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2y 1
. 6 . 962 . 1 1 1 QUA HC71 H -6.933 -3.145 -0.152 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2y 1
. 6 . 963 . 1 1 1 QUA HC8 H -4.826 -2.386 1.078 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2y 1
. 6 . 964 . 1 1 1 QUA N1 N -2.598 -1.740 0.012 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2y 1
. 6 . 965 . 1 1 1 QUA O12 O 0.946 -1.291 -0.470 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2y 1
. 6 . 966 . 1 1 1 QUA O15 O -1.119 -2.231 -4.780 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2y 1
. 6 . 967 . 1 1 1 QUA O16 O -5.684 -0.882 -0.019 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2y 1
. 6 . 968 . 1 1 2 ILE C C -4.428 -5.129 1.962 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2y 1
. 6 . 969 . 1 1 2 ILE CA C -5.704 -5.088 1.128 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2y 1
. 6 . 970 . 1 1 2 ILE CB C -6.359 -6.491 1.120 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2y 1
. 6 . 971 . 1 1 2 ILE CD1 C -5.213 -7.259 -1.078 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2y 1
. 6 . 972 . 1 1 2 ILE CG1 C -5.480 -7.538 0.395 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2y 1
. 6 . 973 . 1 1 2 ILE CG2 C -7.745 -6.424 0.493 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2y 1
. 6 . 974 . 1 1 2 ILE H H -4.454 -4.637 -0.407 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2y 1
. 6 . 975 . 1 1 2 ILE HA H -6.397 -4.393 1.585 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2y 1
. 6 . 976 . 1 1 2 ILE HB H -6.484 -6.800 2.148 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2y 1
. 6 . 977 . 1 1 2 ILE HD11 H -4.437 -6.509 -1.174 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2y 1
. 6 . 978 . 1 1 2 ILE HD12 H -6.114 -6.902 -1.551 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2y 1
. 6 . 979 . 1 1 2 ILE HD13 H -4.891 -8.169 -1.562 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2y 1
. 6 . 980 . 1 1 2 ILE HG12 H -4.524 -7.599 0.891 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2y 1
. 6 . 981 . 1 1 2 ILE HG13 H -5.966 -8.500 0.462 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2y 1
. 6 . 982 . 1 1 2 ILE HG21 H -8.133 -7.423 0.367 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2y 1
. 6 . 983 . 1 1 2 ILE HG22 H -7.684 -5.937 -0.469 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2y 1
. 6 . 984 . 1 1 2 ILE HG23 H -8.403 -5.861 1.138 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2y 1
. 6 . 985 . 1 1 2 ILE N N -5.421 -4.615 -0.251 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2y 1
. 6 . 986 . 1 1 2 ILE O O -4.433 -4.793 3.147 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2y 1
. 6 . 987 . 1 1 3 ALA C C -0.930 -5.841 0.955 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2y 1
. 6 . 988 . 1 1 3 ALA CA C -2.036 -5.614 1.980 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2y 1
. 6 . 989 . 1 1 3 ALA CB C -2.023 -6.723 3.024 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2y 1
. 6 . 990 . 1 1 3 ALA H H -3.407 -5.811 0.385 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2y 1
. 6 . 991 . 1 1 3 ALA HA H -1.862 -4.674 2.483 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2y 1
. 6 . 992 . 1 1 3 ALA HB1 H -2.198 -7.673 2.541 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2y 1
. 6 . 993 . 1 1 3 ALA HB2 H -2.798 -6.541 3.753 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2y 1
. 6 . 994 . 1 1 3 ALA HB3 H -1.062 -6.742 3.516 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2y 1
. 6 . 995 . 1 1 3 ALA N N -3.336 -5.544 1.325 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2y 1
. 6 . 996 . 1 1 3 ALA O O -0.895 -6.875 0.290 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2y 1
. 6 . 997 . 1 1 4 DHA C C 2.124 -3.905 0.335 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2y 1
. 6 . 998 . 1 1 4 DHA CA C 1.106 -4.840 -0.083 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2y 1
. 6 . 999 . 1 1 4 DHA CB C 1.241 -5.574 -1.176 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2y 1
. 6 . 1000 . 1 1 4 DHA H H -0.114 -4.104 1.454 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2y 1
. 6 . 1001 . 1 1 4 DHA HB1 H 0.468 -6.271 -1.457 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2y 1
. 6 . 1002 . 1 1 4 DHA HB2 H 2.128 -5.480 -1.783 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2y 1
. 6 . 1003 . 1 1 4 DHA N N -0.026 -4.867 0.843 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2y 1
. 6 . 1004 . 1 1 4 DHA O O 1.919 -3.289 1.377 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2y 1
. 6 . 1005 . 1 1 5 ALA C C 4.461 -1.752 -1.118 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2y 1
. 6 . 1006 . 1 1 5 ALA CA C 4.235 -2.780 -0.020 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2y 1
. 6 . 1007 . 1 1 5 ALA CB C 5.512 -3.527 0.308 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2y 1
. 6 . 1008 . 1 1 5 ALA H H 3.311 -4.245 -1.230 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2y 1
. 6 . 1009 . 1 1 5 ALA HA H 3.906 -2.270 0.874 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2y 1
. 6 . 1010 . 1 1 5 ALA HB1 H 5.293 -4.299 1.032 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2y 1
. 6 . 1011 . 1 1 5 ALA HB2 H 6.238 -2.841 0.719 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2y 1
. 6 . 1012 . 1 1 5 ALA HB3 H 5.906 -3.978 -0.590 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2y 1
. 6 . 1013 . 1 1 5 ALA N N 3.204 -3.728 -0.405 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2y 1
. 6 . 1014 . 1 1 5 ALA O O 4.857 -2.099 -2.231 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2y 1
. 6 . 1015 . 1 1 6 SER C C 3.203 0.437 -2.831 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2y 1
. 6 . 1016 . 1 1 6 SER CA C 4.253 0.607 -1.833 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2y 1
. 6 . 1017 . 1 1 6 SER CB C 5.672 0.699 -2.466 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2y 1
. 6 . 1018 . 1 1 6 SER H H 3.962 -0.263 0.129 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2y 1
. 6 . 1019 . 1 1 6 SER HB2 H 5.866 -0.181 -3.060 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2y 1
. 6 . 1020 . 1 1 6 SER HB3 H 5.730 1.575 -3.095 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2y 1
. 6 . 1021 . 1 1 6 SER N N 4.196 -0.483 -0.797 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2y 1
. 6 . 1022 . 1 1 7 . C C -0.175 0.781 -3.944 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2y 1
. 6 . 1023 . 1 1 7 . CA C 1.238 0.489 -3.820 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2y 1
. 6 . 1024 . 1 1 7 . CB C 1.989 -0.129 -4.863 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2y 1
. 6 . 1025 . 1 1 7 . HB H 1.600 -0.440 -5.821 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2y 1
. 6 . 1026 . 1 1 7 . N N 1.959 0.781 -2.717 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2y 1
. 6 . 1027 . 1 1 7 . O O -0.847 0.561 -4.952 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2y 1
. 6 . 1028 . 1 1 7 . SG S 3.582 -0.292 -4.347 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2y 1
. 6 . 1029 . 1 1 8 THR C C -1.873 3.425 -2.636 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2y 1
. 6 . 1030 . 1 1 8 THR CA C -2.008 1.921 -2.818 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2y 1
. 6 . 1031 . 1 1 8 THR CB C -2.918 1.346 -1.711 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2y 1
. 6 . 1032 . 1 1 8 THR CG2 C -2.303 1.534 -0.333 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2y 1
. 6 . 1033 . 1 1 8 THR H H -0.177 1.251 -1.996 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2y 1
. 6 . 1034 . 1 1 8 THR HA H -2.477 1.730 -3.773 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2y 1
. 6 . 1035 . 1 1 8 THR HB H -3.047 0.291 -1.889 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2y 1
. 6 . 1036 . 1 1 8 THR HG1 H -4.870 1.341 -1.999 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2y 1
. 6 . 1037 . 1 1 8 THR HG21 H -2.301 2.583 -0.076 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2y 1
. 6 . 1038 . 1 1 8 THR HG22 H -1.290 1.164 -0.339 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2y 1
. 6 . 1039 . 1 1 8 THR HG23 H -2.881 0.987 0.397 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2y 1
. 6 . 1040 . 1 1 8 THR N N -0.692 1.297 -2.830 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2y 1
. 6 . 1041 . 1 1 8 THR O O -0.795 3.926 -2.315 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2y 1
. 6 . 1042 . 1 1 8 THR OG1 O -4.201 1.983 -1.751 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2y 1
. 6 . 1043 . 1 1 9 DBU C C -3.371 6.248 -1.587 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2y 1
. 6 . 1044 . 1 1 9 DBU CA C -3.018 5.599 -2.868 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2y 1
. 6 . 1045 . 1 1 9 DBU CB C -2.766 6.315 -3.950 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2y 1
. 6 . 1046 . 1 1 9 DBU CG C -2.389 5.664 -5.288 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2y 1
. 6 . 1047 . 1 1 9 DBU HG1 H -1.963 6.406 -5.946 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2y 1
. 6 . 1048 . 1 1 9 DBU HG2 H -3.273 5.243 -5.744 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2y 1
. 6 . 1049 . 1 1 9 DBU HG3 H -1.665 4.877 -5.110 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2y 1
. 6 . 1050 . 1 1 9 DBU N N -2.967 4.140 -2.839 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2y 1
. 6 . 1051 . 1 1 10 CYS C C -4.582 5.730 1.708 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . rr_2l2y 1
. 6 . 1052 . 1 1 10 CYS CA C -3.778 6.461 0.657 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . rr_2l2y 1
. 6 . 1053 . 1 1 10 CYS CB C -4.572 7.631 0.083 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . rr_2l2y 1
. 6 . 1054 . 1 1 10 CYS HA H -2.877 6.851 1.112 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . rr_2l2y 1
. 6 . 1055 . 1 1 10 CYS HB2 H -5.617 7.359 -0.027 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB2 . . . . . . . . . rr_2l2y 1
. 6 . 1056 . 1 1 10 CYS HB3 H -4.464 8.507 0.698 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . rr_2l2y 1
. 6 . 1057 . 1 1 10 CYS N N -3.394 5.598 -0.460 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . rr_2l2y 1
. 6 . 1058 . 1 1 10 CYS O O -5.307 6.384 2.459 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . rr_2l2y 1
. 6 . 1059 . 1 1 10 CYS SG S -3.801 7.925 -1.515 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . rr_2l2y 1
. 6 . 1060 . 1 1 11 . C C -4.035 3.010 3.716 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2y 1
. 6 . 1061 . 1 1 11 . CA C -5.106 3.613 2.807 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2y 1
. 6 . 1062 . 1 1 11 . CB C -6.011 2.496 2.179 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2y 1
. 6 . 1063 . 1 1 11 . CD1 C -7.881 2.243 0.369 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2y 1
. 6 . 1064 . 1 1 11 . CG1 C -6.960 3.183 1.136 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2y 1
. 6 . 1065 . 1 1 11 . CG2 C -6.804 1.800 3.240 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2y 1
. 6 . 1066 . 1 1 11 . H H -3.920 3.948 1.088 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2y 1
. 6 . 1067 . 1 1 11 . HA H -5.726 4.279 3.389 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2y 1
. 6 . 1068 . 1 1 11 . HD11 H -8.418 2.800 -0.385 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2y 1
. 6 . 1069 . 1 1 11 . HD12 H -8.585 1.792 1.052 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2y 1
. 6 . 1070 . 1 1 11 . HD13 H -7.294 1.471 -0.105 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2y 1
. 6 . 1071 . 1 1 11 . HD2 H -8.645 3.777 1.973 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2y 1
. 6 . 1072 . 1 1 11 . HG1 H -6.365 3.725 0.418 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2y 1
. 6 . 1073 . 1 1 11 . HG21 H -7.401 2.523 3.777 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2y 1
. 6 . 1074 . 1 1 11 . HG22 H -6.134 1.307 3.927 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2y 1
. 6 . 1075 . 1 1 11 . HG23 H -7.454 1.067 2.785 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2y 1
. 6 . 1076 . 1 1 11 . HG3 H -4.632 2.017 0.875 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2y 1
. 6 . 1077 . 1 1 11 . N N -4.460 4.405 1.766 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2y 1
. 6 . 1078 . 1 1 11 . OD2 O -7.755 4.121 1.874 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2y 1
. 6 . 1079 . 1 1 11 . OG3 O -5.191 1.558 1.507 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2y 1
. 6 . 1080 . 1 1 12 . C C -0.855 1.450 4.180 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2y 1
. 6 . 1081 . 1 1 12 . CA C -2.163 2.055 4.343 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2y 1
. 6 . 1082 . 1 1 12 . CB C -2.773 2.219 5.627 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2y 1
. 6 . 1083 . 1 1 12 . HB H -2.344 1.920 6.572 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2y 1
. 6 . 1084 . 1 1 12 . N N -2.910 2.513 3.312 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2y 1
. 6 . 1085 . 1 1 12 . O O -0.157 1.046 5.109 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2y 1
. 6 . 1086 . 1 1 12 . SG S -4.275 2.955 5.418 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2y 1
. 6 . 1087 . 1 1 13 THR C C 1.410 1.542 1.334 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2y 1
. 6 . 1088 . 1 1 13 THR CA C 0.824 0.795 2.531 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2y 1
. 6 . 1089 . 1 1 13 THR CB C 0.731 -0.717 2.233 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2y 1
. 6 . 1090 . 1 1 13 THR CG2 C 0.487 -1.519 3.498 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2y 1
. 6 . 1091 . 1 1 13 THR H H -1.084 1.665 2.200 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2y 1
. 6 . 1092 . 1 1 13 THR HA H 1.485 0.922 3.376 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2y 1
. 6 . 1093 . 1 1 13 THR HB H 1.655 -1.050 1.782 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2y 1
. 6 . 1094 . 1 1 13 THR HG21 H 1.234 -1.267 4.235 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2y 1
. 6 . 1095 . 1 1 13 THR HG22 H 0.545 -2.573 3.272 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2y 1
. 6 . 1096 . 1 1 13 THR HG23 H -0.494 -1.289 3.887 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2y 1
. 6 . 1097 . 1 1 13 THR N N -0.477 1.354 2.904 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2y 1
. 6 . 1098 . 1 1 13 THR OG1 O -0.415 -0.999 1.333 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2y 1
. 6 . 1099 . 1 1 14 . C C 4.093 1.951 -1.033 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2y 1
. 6 . 1100 . 1 1 14 . CA C 2.808 2.102 -0.262 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2y 1
. 6 . 1101 . 1 1 14 . CB C 1.780 3.065 -0.512 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2y 1
. 6 . 1102 . 1 1 14 . HB H 1.792 3.809 -1.294 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2y 1
. 6 . 1103 . 1 1 14 . N N 2.551 1.277 0.779 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2y 1
. 6 . 1104 . 1 1 14 . SG S 0.549 2.843 0.614 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2y 1
. 6 . 1105 . 1 1 15 . C C 7.295 1.803 0.855 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2y 1
. 6 . 1106 . 1 1 15 . CA C 6.300 1.587 -0.218 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2y 1
. 6 . 1107 . 1 1 15 . CB C 6.741 0.798 -1.380 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2y 1
. 6 . 1108 . 1 1 15 . HB2 H 6.990 -0.198 -1.055 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2y 1
. 6 . 1109 . 1 1 15 . HB3 H 7.621 1.256 -1.812 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2y 1
. 6 . 1110 . 1 1 15 . N N 5.143 2.113 -0.017 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2y 1
. 6 . 1111 . 1 1 16 . C C 10.588 1.306 2.121 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2y 1
. 6 . 1112 . 1 1 16 . CA C 9.205 1.687 1.913 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2y 1
. 6 . 1113 . 1 1 16 . CB C 8.467 2.458 2.867 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2y 1
. 6 . 1114 . 1 1 16 . HB H 8.846 2.825 3.810 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2y 1
. 6 . 1115 . 1 1 16 . N N 8.503 1.348 0.809 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2y 1
. 6 . 1116 . 1 1 16 . O O 11.250 1.606 3.114 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2y 1
. 6 . 1117 . 1 1 16 . SG S 6.908 2.696 2.272 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2y 1
. 6 . 1118 . 1 1 17 DHA C C 12.608 -0.834 -0.154 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2y 1
. 6 . 1119 . 1 1 17 DHA CA C 12.441 0.054 0.984 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2y 1
. 6 . 1120 . 1 1 17 DHA CB C 13.455 0.329 1.792 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2y 1
. 6 . 1121 . 1 1 17 DHA H H 10.441 0.366 0.389 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2y 1
. 6 . 1122 . 1 1 17 DHA HB1 H 14.424 -0.112 1.610 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2y 1
. 6 . 1123 . 1 1 17 DHA HB2 H 13.317 0.990 2.632 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2y 1
. 6 . 1124 . 1 1 17 DHA N N 11.069 0.578 1.111 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2y 1
. 6 . 1125 . 1 1 17 DHA O O 11.621 -1.044 -0.859 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2y 1
. 6 . 1126 . 1 1 18 NH2 HN1 H 13.901 -1.983 -1.160 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . rr_2l2y 1
. 6 . 1127 . 1 1 18 NH2 HN2 H 14.546 -1.183 0.204 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . rr_2l2y 1
. 6 . 1128 . 1 1 18 NH2 N N 13.794 -1.384 -0.391 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . rr_2l2y 1
. 7 . 1129 . 1 1 1 QUA C10 C -3.796 -2.437 -2.004 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2y 1
. 7 . 1130 . 1 1 1 QUA C11 C -0.226 -1.377 0.031 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2y 1
. 7 . 1131 . 1 1 1 QUA C13 C -2.523 -2.787 -4.180 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2y 1
. 7 . 1132 . 1 1 1 QUA C14 C -2.551 -4.304 -4.334 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2y 1
. 7 . 1133 . 1 1 1 QUA C2 C -1.500 -1.749 -0.664 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2y 1
. 7 . 1134 . 1 1 1 QUA C3 C -1.417 -2.070 -2.016 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2y 1
. 7 . 1135 . 1 1 1 QUA C4 C -2.582 -2.420 -2.701 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2y 1
. 7 . 1136 . 1 1 1 QUA C5 C -5.079 -2.780 -2.644 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2y 1
. 7 . 1137 . 1 1 1 QUA C6 C -6.108 -3.131 -1.948 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2y 1
. 7 . 1138 . 1 1 1 QUA C7 C -6.040 -3.221 -0.425 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2y 1
. 7 . 1139 . 1 1 1 QUA C8 C -5.086 -2.133 0.139 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2y 1
. 7 . 1140 . 1 1 1 QUA C9 C -3.784 -2.105 -0.656 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2y 1
. 7 . 1141 . 1 1 1 QUA H13 H -3.381 -2.379 -4.690 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2y 1
. 7 . 1142 . 1 1 1 QUA H141 H -3.311 -4.723 -3.683 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2y 1
. 7 . 1143 . 1 1 1 QUA H142 H -1.587 -4.712 -4.067 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2y 1
. 7 . 1144 . 1 1 1 QUA H143 H -2.777 -4.558 -5.359 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2y 1
. 7 . 1145 . 1 1 1 QUA H15 H -0.733 -2.990 -4.986 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2y 1
. 7 . 1146 . 1 1 1 QUA H16 H -6.615 -0.960 -0.281 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2y 1
. 7 . 1147 . 1 1 1 QUA HC3 H -0.466 -2.047 -2.527 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2y 1
. 7 . 1148 . 1 1 1 QUA HC5 H -5.169 -2.733 -3.716 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2y 1
. 7 . 1149 . 1 1 1 QUA HC6 H -7.029 -3.370 -2.455 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2y 1
. 7 . 1150 . 1 1 1 QUA HC71 H -7.024 -3.100 -0.001 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2y 1
. 7 . 1151 . 1 1 1 QUA HC8 H -4.871 -2.372 1.169 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2y 1
. 7 . 1152 . 1 1 1 QUA N1 N -2.666 -1.761 0.040 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2y 1
. 7 . 1153 . 1 1 1 QUA O12 O 0.868 -1.355 -0.532 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2y 1
. 7 . 1154 . 1 1 1 QUA O15 O -1.337 -2.268 -4.795 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2y 1
. 7 . 1155 . 1 1 1 QUA O16 O -5.737 -0.857 0.093 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2y 1
. 7 . 1156 . 1 1 2 ILE C C -4.419 -5.068 2.019 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2y 1
. 7 . 1157 . 1 1 2 ILE CA C -5.741 -5.047 1.260 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2y 1
. 7 . 1158 . 1 1 2 ILE CB C -6.384 -6.456 1.310 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2y 1
. 7 . 1159 . 1 1 2 ILE CD1 C -5.251 -7.265 -0.879 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2y 1
. 7 . 1160 . 1 1 2 ILE CG1 C -5.513 -7.519 0.601 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2y 1
. 7 . 1161 . 1 1 2 ILE CG2 C -7.781 -6.419 0.709 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2y 1
. 7 . 1162 . 1 1 2 ILE H H -4.585 -4.643 -0.362 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2y 1
. 7 . 1163 . 1 1 2 ILE HA H -6.410 -4.349 1.743 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2y 1
. 7 . 1164 . 1 1 2 ILE HB H -6.486 -6.731 2.350 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2y 1
. 7 . 1165 . 1 1 2 ILE HD11 H -4.504 -6.490 -0.991 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2y 1
. 7 . 1166 . 1 1 2 ILE HD12 H -6.165 -6.953 -1.360 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2y 1
. 7 . 1167 . 1 1 2 ILE HD13 H -4.895 -8.173 -1.341 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2y 1
. 7 . 1168 . 1 1 2 ILE HG12 H -4.555 -7.576 1.093 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2y 1
. 7 . 1169 . 1 1 2 ILE HG13 H -6.003 -8.478 0.686 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2y 1
. 7 . 1170 . 1 1 2 ILE HG21 H -8.433 -5.844 1.350 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2y 1
. 7 . 1171 . 1 1 2 ILE HG22 H -8.162 -7.426 0.619 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2y 1
. 7 . 1172 . 1 1 2 ILE HG23 H -7.742 -5.960 -0.268 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2y 1
. 7 . 1173 . 1 1 2 ILE N N -5.538 -4.596 -0.142 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2y 1
. 7 . 1174 . 1 1 2 ILE O O -4.363 -4.742 3.205 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2y 1
. 7 . 1175 . 1 1 3 ALA C C -0.967 -5.703 0.815 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2y 1
. 7 . 1176 . 1 1 3 ALA CA C -2.021 -5.516 1.901 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2y 1
. 7 . 1177 . 1 1 3 ALA CB C -1.934 -6.644 2.921 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2y 1
. 7 . 1178 . 1 1 3 ALA H H -3.475 -5.710 0.379 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2y 1
. 7 . 1179 . 1 1 3 ALA HA H -1.838 -4.582 2.413 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2y 1
. 7 . 1180 . 1 1 3 ALA HB1 H -0.938 -6.675 3.338 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2y 1
. 7 . 1181 . 1 1 3 ALA HB2 H -2.150 -7.585 2.436 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2y 1
. 7 . 1182 . 1 1 3 ALA HB3 H -2.649 -6.473 3.711 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2y 1
. 7 . 1183 . 1 1 3 ALA N N -3.356 -5.456 1.318 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2y 1
. 7 . 1184 . 1 1 3 ALA O O -1.021 -6.665 0.049 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2y 1
. 7 . 1185 . 1 1 4 DHA C C 2.170 -3.869 0.269 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2y 1
. 7 . 1186 . 1 1 4 DHA CA C 1.102 -4.730 -0.186 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2y 1
. 7 . 1187 . 1 1 4 DHA CB C 1.182 -5.388 -1.331 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2y 1
. 7 . 1188 . 1 1 4 DHA H H -0.040 -4.069 1.442 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2y 1
. 7 . 1189 . 1 1 4 DHA HB1 H 0.376 -6.032 -1.643 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2y 1
. 7 . 1190 . 1 1 4 DHA HB2 H 2.058 -5.285 -1.953 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2y 1
. 7 . 1191 . 1 1 4 DHA N N -0.009 -4.778 0.766 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2y 1
. 7 . 1192 . 1 1 4 DHA O O 2.018 -3.324 1.359 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2y 1
. 7 . 1193 . 1 1 5 ALA C C 4.540 -1.715 -1.143 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2y 1
. 7 . 1194 . 1 1 5 ALA CA C 4.299 -2.779 -0.083 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2y 1
. 7 . 1195 . 1 1 5 ALA CB C 5.558 -3.575 0.192 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2y 1
. 7 . 1196 . 1 1 5 ALA H H 3.305 -4.150 -1.346 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2y 1
. 7 . 1197 . 1 1 5 ALA HA H 4.000 -2.295 0.836 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2y 1
. 7 . 1198 . 1 1 5 ALA HB1 H 5.329 -4.369 0.888 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2y 1
. 7 . 1199 . 1 1 5 ALA HB2 H 6.310 -2.927 0.615 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2y 1
. 7 . 1200 . 1 1 5 ALA HB3 H 5.922 -4.001 -0.731 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2y 1
. 7 . 1201 . 1 1 5 ALA N N 3.233 -3.678 -0.491 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2y 1
. 7 . 1202 . 1 1 5 ALA O O 4.960 -2.025 -2.257 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2y 1
. 7 . 1203 . 1 1 6 SER C C 3.320 0.516 -2.819 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2y 1
. 7 . 1204 . 1 1 6 SER CA C 4.339 0.665 -1.787 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2y 1
. 7 . 1205 . 1 1 6 SER CB C 5.776 0.783 -2.371 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2y 1
. 7 . 1206 . 1 1 6 SER H H 4.003 -0.268 0.139 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2y 1
. 7 . 1207 . 1 1 6 SER HB2 H 5.991 -0.070 -2.995 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2y 1
. 7 . 1208 . 1 1 6 SER HB3 H 5.855 1.687 -2.957 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2y 1
. 7 . 1209 . 1 1 6 SER N N 4.261 -0.457 -0.788 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2y 1
. 7 . 1210 . 1 1 7 . C C -0.035 0.833 -4.017 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2y 1
. 7 . 1211 . 1 1 7 . CA C 1.381 0.567 -3.860 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2y 1
. 7 . 1212 . 1 1 7 . CB C 2.173 0.005 -4.905 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2y 1
. 7 . 1213 . 1 1 7 . HB H 1.818 -0.276 -5.885 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2y 1
. 7 . 1214 . 1 1 7 . N N 2.065 0.831 -2.726 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2y 1
. 7 . 1215 . 1 1 7 . O O -0.670 0.630 -5.052 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2y 1
. 7 . 1216 . 1 1 7 . SG S 3.755 -0.147 -4.350 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2y 1
. 7 . 1217 . 1 1 8 THR C C -1.821 3.417 -2.743 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2y 1
. 7 . 1218 . 1 1 8 THR CA C -1.929 1.911 -2.926 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2y 1
. 7 . 1219 . 1 1 8 THR CB C -2.856 1.320 -1.840 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2y 1
. 7 . 1220 . 1 1 8 THR CG2 C -2.280 1.520 -0.446 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2y 1
. 7 . 1221 . 1 1 8 THR H H -0.113 1.252 -2.058 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2y 1
. 7 . 1222 . 1 1 8 THR HA H -2.370 1.711 -3.892 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2y 1
. 7 . 1223 . 1 1 8 THR HB H -2.961 0.262 -2.019 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2y 1
. 7 . 1224 . 1 1 8 THR HG1 H -4.697 1.450 -2.539 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2y 1
. 7 . 1225 . 1 1 8 THR HG21 H -2.280 2.572 -0.201 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2y 1
. 7 . 1226 . 1 1 8 THR HG22 H -1.270 1.143 -0.418 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2y 1
. 7 . 1227 . 1 1 8 THR HG23 H -2.883 0.984 0.272 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2y 1
. 7 . 1228 . 1 1 8 THR N N -0.600 1.310 -2.907 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2y 1
. 7 . 1229 . 1 1 8 THR O O -0.739 3.942 -2.476 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2y 1
. 7 . 1230 . 1 1 8 THR OG1 O -4.150 1.932 -1.914 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2y 1
. 7 . 1231 . 1 1 9 DBU C C -3.402 6.205 -1.623 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2y 1
. 7 . 1232 . 1 1 9 DBU CA C -3.018 5.572 -2.904 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2y 1
. 7 . 1233 . 1 1 9 DBU CB C -2.763 6.303 -3.977 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2y 1
. 7 . 1234 . 1 1 9 DBU CG C -2.351 5.673 -5.316 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2y 1
. 7 . 1235 . 1 1 9 DBU HG1 H -3.217 5.231 -5.787 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2y 1
. 7 . 1236 . 1 1 9 DBU HG2 H -1.610 4.904 -5.136 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2y 1
. 7 . 1237 . 1 1 9 DBU HG3 H -1.935 6.433 -5.961 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2y 1
. 7 . 1238 . 1 1 9 DBU N N -2.938 4.112 -2.887 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2y 1
. 7 . 1239 . 1 1 10 CYS C C -4.650 5.652 1.657 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . rr_2l2y 1
. 7 . 1240 . 1 1 10 CYS CA C -3.840 6.400 0.619 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . rr_2l2y 1
. 7 . 1241 . 1 1 10 CYS CB C -4.640 7.566 0.044 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . rr_2l2y 1
. 7 . 1242 . 1 1 10 CYS HA H -2.951 6.798 1.090 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . rr_2l2y 1
. 7 . 1243 . 1 1 10 CYS HB2 H -5.683 7.287 -0.072 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB2 . . . . . . . . . rr_2l2y 1
. 7 . 1244 . 1 1 10 CYS HB3 H -4.542 8.440 0.663 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . rr_2l2y 1
. 7 . 1245 . 1 1 10 CYS N N -3.427 5.549 -0.498 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . rr_2l2y 1
. 7 . 1246 . 1 1 10 CYS O O -5.445 6.284 2.354 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . rr_2l2y 1
. 7 . 1247 . 1 1 10 CYS SG S -3.864 7.873 -1.550 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . rr_2l2y 1
. 7 . 1248 . 1 1 11 . C C -4.026 2.940 3.710 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2y 1
. 7 . 1249 . 1 1 11 . CA C -5.098 3.542 2.803 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2y 1
. 7 . 1250 . 1 1 11 . CB C -6.003 2.424 2.174 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2y 1
. 7 . 1251 . 1 1 11 . CD1 C -7.881 2.175 0.373 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2y 1
. 7 . 1252 . 1 1 11 . CG1 C -6.970 3.116 1.151 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2y 1
. 7 . 1253 . 1 1 11 . CG2 C -6.779 1.711 3.237 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2y 1
. 7 . 1254 . 1 1 11 . H H -3.864 3.893 1.120 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2y 1
. 7 . 1255 . 1 1 11 . HA H -5.718 4.205 3.387 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2y 1
. 7 . 1256 . 1 1 11 . HD11 H -7.286 1.419 -0.116 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2y 1
. 7 . 1257 . 1 1 11 . HD12 H -8.428 2.737 -0.371 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2y 1
. 7 . 1258 . 1 1 11 . HD13 H -8.577 1.704 1.050 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2y 1
. 7 . 1259 . 1 1 11 . HD2 H -7.343 4.883 1.946 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2y 1
. 7 . 1260 . 1 1 11 . HG1 H -6.389 3.681 0.439 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2y 1
. 7 . 1261 . 1 1 11 . HG21 H -6.097 1.210 3.909 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2y 1
. 7 . 1262 . 1 1 11 . HG22 H -7.432 0.983 2.780 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2y 1
. 7 . 1263 . 1 1 11 . HG23 H -7.369 2.424 3.792 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2y 1
. 7 . 1264 . 1 1 11 . HG3 H -4.385 1.942 1.183 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2y 1
. 7 . 1265 . 1 1 11 . N N -4.456 4.338 1.762 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2y 1
. 7 . 1266 . 1 1 11 . OD2 O -7.774 4.026 1.913 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2y 1
. 7 . 1267 . 1 1 11 . OG3 O -5.183 1.500 1.483 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2y 1
. 7 . 1268 . 1 1 12 . C C -0.853 1.362 4.170 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2y 1
. 7 . 1269 . 1 1 12 . CA C -2.157 1.978 4.335 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2y 1
. 7 . 1270 . 1 1 12 . CB C -2.759 2.155 5.621 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2y 1
. 7 . 1271 . 1 1 12 . HB H -2.326 1.862 6.564 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2y 1
. 7 . 1272 . 1 1 12 . N N -2.906 2.432 3.304 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2y 1
. 7 . 1273 . 1 1 12 . O O -0.154 0.957 5.098 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2y 1
. 7 . 1274 . 1 1 12 . SG S -4.255 2.900 5.414 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2y 1
. 7 . 1275 . 1 1 13 THR C C 1.422 1.483 1.348 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2y 1
. 7 . 1276 . 1 1 13 THR CA C 0.822 0.707 2.520 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2y 1
. 7 . 1277 . 1 1 13 THR CB C 0.724 -0.796 2.185 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2y 1
. 7 . 1278 . 1 1 13 THR CG2 C 0.506 -1.628 3.437 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2y 1
. 7 . 1279 . 1 1 13 THR H H -1.087 1.574 2.191 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2y 1
. 7 . 1280 . 1 1 13 THR HA H 1.476 0.810 3.374 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2y 1
. 7 . 1281 . 1 1 13 THR HB H 1.637 -1.118 1.705 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2y 1
. 7 . 1282 . 1 1 13 THR HG21 H 1.288 -1.416 4.151 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2y 1
. 7 . 1283 . 1 1 13 THR HG22 H 0.528 -2.676 3.179 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2y 1
. 7 . 1284 . 1 1 13 THR HG23 H -0.453 -1.384 3.868 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2y 1
. 7 . 1285 . 1 1 13 THR N N -0.478 1.265 2.894 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2y 1
. 7 . 1286 . 1 1 13 THR OG1 O -0.444 -1.057 1.306 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2y 1
. 7 . 1287 . 1 1 14 . C C 4.146 1.982 -0.950 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2y 1
. 7 . 1288 . 1 1 14 . CA C 2.843 2.096 -0.206 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2y 1
. 7 . 1289 . 1 1 14 . CB C 1.803 3.043 -0.463 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2y 1
. 7 . 1290 . 1 1 14 . HB H 1.817 3.801 -1.232 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2y 1
. 7 . 1291 . 1 1 14 . N N 2.580 1.248 0.815 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2y 1
. 7 . 1292 . 1 1 14 . SG S 0.552 2.779 0.631 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2y 1
. 7 . 1293 . 1 1 15 . C C 7.292 1.793 1.030 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2y 1
. 7 . 1294 . 1 1 15 . CA C 6.333 1.599 -0.077 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2y 1
. 7 . 1295 . 1 1 15 . CB C 6.808 0.835 -1.244 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2y 1
. 7 . 1296 . 1 1 15 . HB2 H 7.028 -0.175 -0.936 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2y 1
. 7 . 1297 . 1 1 15 . HB3 H 7.710 1.290 -1.630 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2y 1
. 7 . 1298 . 1 1 15 . N N 5.169 2.122 0.098 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2y 1
. 7 . 1299 . 1 1 16 . C C 10.532 1.256 2.410 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2y 1
. 7 . 1300 . 1 1 16 . CA C 9.161 1.651 2.155 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2y 1
. 7 . 1301 . 1 1 16 . CB C 8.395 2.417 3.089 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2y 1
. 7 . 1302 . 1 1 16 . HB H 8.742 2.772 4.049 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2y 1
. 7 . 1303 . 1 1 16 . N N 8.497 1.330 1.022 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2y 1
. 7 . 1304 . 1 1 16 . O O 11.157 1.542 3.429 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2y 1
. 7 . 1305 . 1 1 16 . SG S 6.861 2.674 2.442 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2y 1
. 7 . 1306 . 1 1 17 DHA C C 12.672 -0.735 0.104 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2y 1
. 7 . 1307 . 1 1 17 DHA CA C 12.409 -0.027 1.346 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2y 1
. 7 . 1308 . 1 1 17 DHA CB C 13.335 0.067 2.289 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2y 1
. 7 . 1309 . 1 1 17 DHA H H 10.462 0.378 0.640 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2y 1
. 7 . 1310 . 1 1 17 DHA HB1 H 14.304 -0.387 2.140 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2y 1
. 7 . 1311 . 1 1 17 DHA HB2 H 13.127 0.594 3.205 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2y 1
. 7 . 1312 . 1 1 17 DHA N N 11.049 0.539 1.407 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2y 1
. 7 . 1313 . 1 1 17 DHA O O 11.764 -0.781 -0.727 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2y 1
. 7 . 1314 . 1 1 18 NH2 HN1 H 14.031 -1.775 -0.933 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . rr_2l2y 1
. 7 . 1315 . 1 1 18 NH2 HN2 H 14.546 -1.232 0.601 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . rr_2l2y 1
. 7 . 1316 . 1 1 18 NH2 N N 13.859 -1.299 -0.094 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . rr_2l2y 1
. 8 . 1317 . 1 1 1 QUA C10 C -3.704 -2.405 -2.017 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2y 1
. 8 . 1318 . 1 1 1 QUA C11 C -0.165 -1.345 0.069 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2y 1
. 8 . 1319 . 1 1 1 QUA C13 C -2.396 -2.773 -4.169 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2y 1
. 8 . 1320 . 1 1 1 QUA C14 C -2.439 -4.293 -4.312 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2y 1
. 8 . 1321 . 1 1 1 QUA C2 C -1.429 -1.717 -0.645 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2y 1
. 8 . 1322 . 1 1 1 QUA C3 C -1.325 -2.047 -1.992 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2y 1
. 8 . 1323 . 1 1 1 QUA C4 C -2.480 -2.395 -2.694 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2y 1
. 8 . 1324 . 1 1 1 QUA C5 C -4.978 -2.746 -2.679 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2y 1
. 8 . 1325 . 1 1 1 QUA C6 C -6.019 -3.091 -1.998 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2y 1
. 8 . 1326 . 1 1 1 QUA C7 C -5.974 -3.174 -0.474 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2y 1
. 8 . 1327 . 1 1 1 QUA C8 C -5.028 -2.084 0.101 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2y 1
. 8 . 1328 . 1 1 1 QUA C9 C -3.714 -2.065 -0.672 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2y 1
. 8 . 1329 . 1 1 1 QUA H13 H -3.238 -2.358 -4.699 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2y 1
. 8 . 1330 . 1 1 1 QUA H141 H -2.636 -4.553 -5.341 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2y 1
. 8 . 1331 . 1 1 1 QUA H142 H -3.224 -4.695 -3.681 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2y 1
. 8 . 1332 . 1 1 1 QUA H143 H -1.490 -4.708 -4.011 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2y 1
. 8 . 1333 . 1 1 1 QUA H15 H -1.349 -1.401 -5.129 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2y 1
. 8 . 1334 . 1 1 1 QUA H16 H -5.012 -0.113 0.009 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2y 1
. 8 . 1335 . 1 1 1 QUA HC3 H -0.365 -2.029 -2.487 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2y 1
. 8 . 1336 . 1 1 1 QUA HC5 H -5.050 -2.702 -3.753 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2y 1
. 8 . 1337 . 1 1 1 QUA HC6 H -6.933 -3.329 -2.518 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2y 1
. 8 . 1338 . 1 1 1 QUA HC71 H -6.964 -3.053 -0.064 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2y 1
. 8 . 1339 . 1 1 1 QUA HC8 H -4.831 -2.319 1.136 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2y 1
. 8 . 1340 . 1 1 1 QUA N1 N -2.606 -1.720 0.041 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2y 1
. 8 . 1341 . 1 1 1 QUA O12 O 0.939 -1.336 -0.477 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2y 1
. 8 . 1342 . 1 1 1 QUA O15 O -1.190 -2.276 -4.764 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2y 1
. 8 . 1343 . 1 1 1 QUA O16 O -5.675 -0.807 0.038 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2y 1
. 8 . 1344 . 1 1 2 ILE C C -4.415 -5.075 1.998 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2y 1
. 8 . 1345 . 1 1 2 ILE CA C -5.720 -5.001 1.213 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2y 1
. 8 . 1346 . 1 1 2 ILE CB C -6.418 -6.383 1.239 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2y 1
. 8 . 1347 . 1 1 2 ILE CD1 C -5.344 -7.201 -0.976 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2y 1
. 8 . 1348 . 1 1 2 ILE CG1 C -5.592 -7.464 0.503 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2y 1
. 8 . 1349 . 1 1 2 ILE CG2 C -7.817 -6.277 0.649 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2y 1
. 8 . 1350 . 1 1 2 ILE H H -4.514 -4.589 -0.368 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2y 1
. 8 . 1351 . 1 1 2 ILE HA H -6.372 -4.281 1.689 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2y 1
. 8 . 1352 . 1 1 2 ILE HB H -6.524 -6.675 2.274 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2y 1
. 8 . 1353 . 1 1 2 ILE HD11 H -6.244 -6.824 -1.435 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2y 1
. 8 . 1354 . 1 1 2 ILE HD12 H -5.057 -8.122 -1.459 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2y 1
. 8 . 1355 . 1 1 2 ILE HD13 H -4.549 -6.475 -1.091 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2y 1
. 8 . 1356 . 1 1 2 ILE HG12 H -4.629 -7.557 0.981 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2y 1
. 8 . 1357 . 1 1 2 ILE HG13 H -6.111 -8.408 0.584 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2y 1
. 8 . 1358 . 1 1 2 ILE HG21 H -8.240 -7.265 0.547 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2y 1
. 8 . 1359 . 1 1 2 ILE HG22 H -7.766 -5.805 -0.321 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2y 1
. 8 . 1360 . 1 1 2 ILE HG23 H -8.439 -5.687 1.305 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2y 1
. 8 . 1361 . 1 1 2 ILE N N -5.474 -4.546 -0.179 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2y 1
. 8 . 1362 . 1 1 2 ILE O O -4.371 -4.761 3.187 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2y 1
. 8 . 1363 . 1 1 3 ALA C C -0.955 -5.814 0.872 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2y 1
. 8 . 1364 . 1 1 3 ALA CA C -2.032 -5.605 1.931 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2y 1
. 8 . 1365 . 1 1 3 ALA CB C -2.009 -6.750 2.934 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2y 1
. 8 . 1366 . 1 1 3 ALA H H -3.454 -5.726 0.369 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2y 1
. 8 . 1367 . 1 1 3 ALA HA H -1.830 -4.687 2.461 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2y 1
. 8 . 1368 . 1 1 3 ALA HB1 H -2.245 -7.675 2.430 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2y 1
. 8 . 1369 . 1 1 3 ALA HB2 H -2.738 -6.566 3.708 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2y 1
. 8 . 1370 . 1 1 3 ALA HB3 H -1.027 -6.821 3.375 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2y 1
. 8 . 1371 . 1 1 3 ALA N N -3.350 -5.491 1.315 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2y 1
. 8 . 1372 . 1 1 3 ALA O O -0.955 -6.823 0.167 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2y 1
. 8 . 1373 . 1 1 4 DHA C C 2.128 -3.908 0.282 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2y 1
. 8 . 1374 . 1 1 4 DHA CA C 1.101 -4.829 -0.148 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2y 1
. 8 . 1375 . 1 1 4 DHA CB C 1.233 -5.555 -1.247 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2y 1
. 8 . 1376 . 1 1 4 DHA H H -0.112 -4.099 1.397 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2y 1
. 8 . 1377 . 1 1 4 DHA HB1 H 0.456 -6.245 -1.536 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2y 1
. 8 . 1378 . 1 1 4 DHA HB2 H 2.124 -5.465 -1.849 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2y 1
. 8 . 1379 . 1 1 4 DHA N N -0.034 -4.854 0.776 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2y 1
. 8 . 1380 . 1 1 4 DHA O O 1.925 -3.301 1.332 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2y 1
. 8 . 1381 . 1 1 5 ALA C C 4.477 -1.748 -1.143 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2y 1
. 8 . 1382 . 1 1 5 ALA CA C 4.245 -2.791 -0.059 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2y 1
. 8 . 1383 . 1 1 5 ALA CB C 5.519 -3.547 0.258 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2y 1
. 8 . 1384 . 1 1 5 ALA H H 3.313 -4.235 -1.288 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2y 1
. 8 . 1385 . 1 1 5 ALA HA H 3.920 -2.290 0.841 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2y 1
. 8 . 1386 . 1 1 5 ALA HB1 H 6.256 -2.865 0.653 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2y 1
. 8 . 1387 . 1 1 5 ALA HB2 H 5.896 -4.009 -0.642 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2y 1
. 8 . 1388 . 1 1 5 ALA HB3 H 5.302 -4.310 0.991 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2y 1
. 8 . 1389 . 1 1 5 ALA N N 3.208 -3.727 -0.457 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2y 1
. 8 . 1390 . 1 1 5 ALA O O 4.866 -2.081 -2.263 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2y 1
. 8 . 1391 . 1 1 6 SER C C 3.291 0.498 -2.834 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2y 1
. 8 . 1392 . 1 1 6 SER CA C 4.321 0.630 -1.809 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2y 1
. 8 . 1393 . 1 1 6 SER CB C 5.755 0.715 -2.407 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2y 1
. 8 . 1394 . 1 1 6 SER H H 3.982 -0.277 0.126 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2y 1
. 8 . 1395 . 1 1 6 SER HB2 H 5.948 -0.152 -3.019 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2y 1
. 8 . 1396 . 1 1 6 SER HB3 H 5.842 1.608 -3.010 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2y 1
. 8 . 1397 . 1 1 6 SER N N 4.228 -0.480 -0.800 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2y 1
. 8 . 1398 . 1 1 7 . C C -0.074 0.848 -3.998 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2y 1
. 8 . 1399 . 1 1 7 . CA C 1.343 0.572 -3.857 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2y 1
. 8 . 1400 . 1 1 7 . CB C 2.122 0.019 -4.915 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2y 1
. 8 . 1401 . 1 1 7 . HB H 1.757 -0.249 -5.896 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2y 1
. 8 . 1402 . 1 1 7 . N N 2.039 0.818 -2.726 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2y 1
. 8 . 1403 . 1 1 7 . O O -0.720 0.655 -5.028 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2y 1
. 8 . 1404 . 1 1 7 . SG S 3.708 -0.149 -4.378 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2y 1
. 8 . 1405 . 1 1 8 THR C C -1.871 3.420 -2.727 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2y 1
. 8 . 1406 . 1 1 8 THR CA C -1.960 1.909 -2.879 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2y 1
. 8 . 1407 . 1 1 8 THR CB C -2.855 1.329 -1.761 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2y 1
. 8 . 1408 . 1 1 8 THR CG2 C -2.243 1.550 -0.386 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2y 1
. 8 . 1409 . 1 1 8 THR H H -0.125 1.270 -2.038 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2y 1
. 8 . 1410 . 1 1 8 THR HA H -2.421 1.685 -3.830 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2y 1
. 8 . 1411 . 1 1 8 THR HB H -2.959 0.269 -1.925 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2y 1
. 8 . 1412 . 1 1 8 THR HG1 H -4.489 2.043 -0.915 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2y 1
. 8 . 1413 . 1 1 8 THR HG21 H -2.222 2.606 -0.164 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2y 1
. 8 . 1414 . 1 1 8 THR HG22 H -1.238 1.159 -0.374 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2y 1
. 8 . 1415 . 1 1 8 THR HG23 H -2.836 1.038 0.357 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2y 1
. 8 . 1416 . 1 1 8 THR N N -0.625 1.321 -2.879 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2y 1
. 8 . 1417 . 1 1 8 THR O O -0.793 3.968 -2.499 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2y 1
. 8 . 1418 . 1 1 8 THR OG1 O -4.153 1.933 -1.808 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2y 1
. 8 . 1419 . 1 1 9 DBU C C -3.488 6.189 -1.612 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2y 1
. 8 . 1420 . 1 1 9 DBU CA C -3.119 5.545 -2.892 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2y 1
. 8 . 1421 . 1 1 9 DBU CB C -2.905 6.262 -3.982 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2y 1
. 8 . 1422 . 1 1 9 DBU CG C -2.513 5.614 -5.317 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2y 1
. 8 . 1423 . 1 1 9 DBU HG1 H -3.376 5.126 -5.748 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2y 1
. 8 . 1424 . 1 1 9 DBU HG2 H -1.736 4.879 -5.143 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2y 1
. 8 . 1425 . 1 1 9 DBU HG3 H -2.148 6.372 -5.995 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2y 1
. 8 . 1426 . 1 1 9 DBU N N -3.005 4.089 -2.853 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2y 1
. 8 . 1427 . 1 1 10 CYS C C -4.659 5.648 1.695 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . rr_2l2y 1
. 8 . 1428 . 1 1 10 CYS CA C -3.888 6.403 0.636 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . rr_2l2y 1
. 8 . 1429 . 1 1 10 CYS CB C -4.728 7.537 0.060 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . rr_2l2y 1
. 8 . 1430 . 1 1 10 CYS HA H -3.000 6.829 1.083 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . rr_2l2y 1
. 8 . 1431 . 1 1 10 CYS HB2 H -5.764 7.226 -0.038 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB2 . . . . . . . . . rr_2l2y 1
. 8 . 1432 . 1 1 10 CYS HB3 H -4.647 8.421 0.667 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . rr_2l2y 1
. 8 . 1433 . 1 1 10 CYS N N -3.477 5.547 -0.479 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . rr_2l2y 1
. 8 . 1434 . 1 1 10 CYS O O -5.394 6.282 2.455 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . rr_2l2y 1
. 8 . 1435 . 1 1 10 CYS SG S -3.984 7.846 -1.549 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . rr_2l2y 1
. 8 . 1436 . 1 1 11 . C C -4.038 2.939 3.698 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2y 1
. 8 . 1437 . 1 1 11 . CA C -5.123 3.512 2.784 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2y 1
. 8 . 1438 . 1 1 11 . CB C -5.990 2.371 2.143 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2y 1
. 8 . 1439 . 1 1 11 . CD1 C -7.882 2.104 0.360 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2y 1
. 8 . 1440 . 1 1 11 . CG1 C -7.055 3.054 1.217 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2y 1
. 8 . 1441 . 1 1 11 . CG2 C -6.659 1.548 3.201 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2y 1
. 8 . 1442 . 1 1 11 . H H -3.944 3.889 1.070 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2y 1
. 8 . 1443 . 1 1 11 . HA H -5.767 4.156 3.365 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2y 1
. 8 . 1444 . 1 1 11 . HD11 H -7.223 1.490 -0.235 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2y 1
. 8 . 1445 . 1 1 11 . HD12 H -8.525 2.677 -0.291 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2y 1
. 8 . 1446 . 1 1 11 . HD13 H -8.484 1.475 0.997 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2y 1
. 8 . 1447 . 1 1 11 . HD2 H -8.698 3.254 2.293 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2y 1
. 8 . 1448 . 1 1 11 . HG1 H -6.559 3.750 0.558 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2y 1
. 8 . 1449 . 1 1 11 . HG21 H -7.206 2.195 3.869 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2y 1
. 8 . 1450 . 1 1 11 . HG22 H -5.913 1.001 3.758 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2y 1
. 8 . 1451 . 1 1 11 . HG23 H -7.341 0.851 2.739 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2y 1
. 8 . 1452 . 1 1 11 . HG3 H -4.238 1.788 1.494 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2y 1
. 8 . 1453 . 1 1 11 . N N -4.498 4.328 1.749 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2y 1
. 8 . 1454 . 1 1 11 . OD2 O -7.928 3.789 2.086 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2y 1
. 8 . 1455 . 1 1 11 . OG3 O -5.155 1.543 1.354 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2y 1
. 8 . 1456 . 1 1 12 . C C -0.831 1.437 4.173 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2y 1
. 8 . 1457 . 1 1 12 . CA C -2.149 2.024 4.332 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2y 1
. 8 . 1458 . 1 1 12 . CB C -2.757 2.197 5.615 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2y 1
. 8 . 1459 . 1 1 12 . HB H -2.320 1.919 6.563 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2y 1
. 8 . 1460 . 1 1 12 . N N -2.906 2.456 3.296 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2y 1
. 8 . 1461 . 1 1 12 . O O -0.125 1.056 5.107 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2y 1
. 8 . 1462 . 1 1 12 . SG S -4.270 2.905 5.401 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2y 1
. 8 . 1463 . 1 1 13 THR C C 1.448 1.528 1.345 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2y 1
. 8 . 1464 . 1 1 13 THR CA C 0.852 0.775 2.533 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2y 1
. 8 . 1465 . 1 1 13 THR CB C 0.755 -0.734 2.227 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2y 1
. 8 . 1466 . 1 1 13 THR CG2 C 0.519 -1.541 3.492 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2y 1
. 8 . 1467 . 1 1 13 THR H H -1.056 1.639 2.192 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2y 1
. 8 . 1468 . 1 1 13 THR HA H 1.506 0.894 3.384 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2y 1
. 8 . 1469 . 1 1 13 THR HB H 1.674 -1.068 1.766 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2y 1
. 8 . 1470 . 1 1 13 THR HG21 H 0.613 -2.593 3.270 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2y 1
. 8 . 1471 . 1 1 13 THR HG22 H -0.474 -1.340 3.864 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2y 1
. 8 . 1472 . 1 1 13 THR HG23 H 1.247 -1.262 4.238 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2y 1
. 8 . 1473 . 1 1 13 THR N N -0.451 1.334 2.899 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2y 1
. 8 . 1474 . 1 1 13 THR OG1 O -0.401 -1.012 1.337 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2y 1
. 8 . 1475 . 1 1 14 . C C 4.160 1.956 -0.982 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2y 1
. 8 . 1476 . 1 1 14 . CA C 2.864 2.098 -0.229 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2y 1
. 8 . 1477 . 1 1 14 . CB C 1.834 3.056 -0.492 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2y 1
. 8 . 1478 . 1 1 14 . HB H 1.852 3.803 -1.272 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2y 1
. 8 . 1479 . 1 1 14 . N N 2.598 1.270 0.806 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2y 1
. 8 . 1480 . 1 1 14 . SG S 0.589 2.825 0.617 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2y 1
. 8 . 1481 . 1 1 15 . C C 7.317 1.723 0.973 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2y 1
. 8 . 1482 . 1 1 15 . CA C 6.346 1.543 -0.126 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2y 1
. 8 . 1483 . 1 1 15 . CB C 6.800 0.768 -1.293 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2y 1
. 8 . 1484 . 1 1 15 . HB2 H 7.017 -0.240 -0.981 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2y 1
. 8 . 1485 . 1 1 15 . HB3 H 7.699 1.214 -1.694 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2y 1
. 8 . 1486 . 1 1 15 . N N 5.192 2.083 0.058 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2y 1
. 8 . 1487 . 1 1 16 . C C 10.577 1.171 2.308 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2y 1
. 8 . 1488 . 1 1 16 . CA C 9.202 1.567 2.074 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2y 1
. 8 . 1489 . 1 1 16 . CB C 8.446 2.322 3.028 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2y 1
. 8 . 1490 . 1 1 16 . HB H 8.805 2.664 3.988 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2y 1
. 8 . 1491 . 1 1 16 . N N 8.523 1.260 0.946 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2y 1
. 8 . 1492 . 1 1 16 . O O 11.212 1.440 3.327 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2y 1
. 8 . 1493 . 1 1 16 . SG S 6.904 2.586 2.402 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2y 1
. 8 . 1494 . 1 1 17 DHA C C 12.672 -0.861 -0.004 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2y 1
. 8 . 1495 . 1 1 17 DHA CA C 12.460 -0.053 1.186 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2y 1
. 8 . 1496 . 1 1 17 DHA CB C 13.440 0.158 2.054 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2y 1
. 8 . 1497 . 1 1 17 DHA H H 10.479 0.287 0.543 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2y 1
. 8 . 1498 . 1 1 17 DHA HB1 H 14.414 -0.275 1.881 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2y 1
. 8 . 1499 . 1 1 17 DHA HB2 H 13.269 0.761 2.932 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2y 1
. 8 . 1500 . 1 1 17 DHA N N 11.085 0.472 1.290 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2y 1
. 8 . 1501 . 1 1 17 DHA O O 11.716 -1.012 -0.765 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2y 1
. 8 . 1502 . 1 1 18 NH2 HN1 H 14.003 -1.944 -1.033 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . rr_2l2y 1
. 8 . 1503 . 1 1 18 NH2 HN2 H 14.590 -1.247 0.411 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . rr_2l2y 1
. 8 . 1504 . 1 1 18 NH2 N N 13.865 -1.401 -0.228 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . rr_2l2y 1
. 9 . 1505 . 1 1 1 QUA C10 C -3.679 -2.436 -2.022 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2y 1
. 9 . 1506 . 1 1 1 QUA C11 C -0.160 -1.321 0.070 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2y 1
. 9 . 1507 . 1 1 1 QUA C13 C -2.352 -2.826 -4.159 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2y 1
. 9 . 1508 . 1 1 1 QUA C14 C -2.388 -4.347 -4.282 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2y 1
. 9 . 1509 . 1 1 1 QUA C2 C -1.419 -1.711 -0.644 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2y 1
. 9 . 1510 . 1 1 1 QUA C3 C -1.303 -2.060 -1.985 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2y 1
. 9 . 1511 . 1 1 1 QUA C4 C -2.450 -2.427 -2.690 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2y 1
. 9 . 1512 . 1 1 1 QUA C5 C -4.945 -2.798 -2.688 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2y 1
. 9 . 1513 . 1 1 1 QUA C6 C -5.989 -3.141 -2.008 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2y 1
. 9 . 1514 . 1 1 1 QUA C7 C -5.956 -3.202 -0.484 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2y 1
. 9 . 1515 . 1 1 1 QUA C8 C -5.023 -2.095 0.081 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2y 1
. 9 . 1516 . 1 1 1 QUA C9 C -3.702 -2.077 -0.683 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2y 1
. 9 . 1517 . 1 1 1 QUA H13 H -3.190 -2.421 -4.702 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2y 1
. 9 . 1518 . 1 1 1 QUA H141 H -2.601 -4.621 -5.304 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2y 1
. 9 . 1519 . 1 1 1 QUA H142 H -3.157 -4.747 -3.631 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2y 1
. 9 . 1520 . 1 1 1 QUA H143 H -1.429 -4.753 -3.994 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2y 1
. 9 . 1521 . 1 1 1 QUA H15 H -0.609 -3.069 -5.054 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2y 1
. 9 . 1522 . 1 1 1 QUA H16 H -6.232 -0.693 0.766 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2y 1
. 9 . 1523 . 1 1 1 QUA HC3 H -0.340 -2.043 -2.475 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2y 1
. 9 . 1524 . 1 1 1 QUA HC5 H -5.010 -2.769 -3.762 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2y 1
. 9 . 1525 . 1 1 1 QUA HC6 H -6.897 -3.394 -2.533 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2y 1
. 9 . 1526 . 1 1 1 QUA HC71 H -6.949 -3.084 -0.084 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2y 1
. 9 . 1527 . 1 1 1 QUA HC8 H -4.835 -2.311 1.122 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2y 1
. 9 . 1528 . 1 1 1 QUA N1 N -2.601 -1.713 0.034 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2y 1
. 9 . 1529 . 1 1 1 QUA O12 O 0.943 -1.296 -0.476 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2y 1
. 9 . 1530 . 1 1 1 QUA O15 O -1.142 -2.331 -4.750 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2y 1
. 9 . 1531 . 1 1 1 QUA O16 O -5.682 -0.826 -0.010 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2y 1
. 9 . 1532 . 1 1 2 ILE C C -4.420 -5.091 2.023 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2y 1
. 9 . 1533 . 1 1 2 ILE CA C -5.715 -5.012 1.223 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2y 1
. 9 . 1534 . 1 1 2 ILE CB C -6.417 -6.394 1.241 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2y 1
. 9 . 1535 . 1 1 2 ILE CD1 C -5.222 -7.236 -0.900 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2y 1
. 9 . 1536 . 1 1 2 ILE CG1 C -5.559 -7.488 0.562 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2y 1
. 9 . 1537 . 1 1 2 ILE CG2 C -7.787 -6.299 0.584 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2y 1
. 9 . 1538 . 1 1 2 ILE H H -4.480 -4.595 -0.334 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2y 1
. 9 . 1539 . 1 1 2 ILE HA H -6.371 -4.290 1.687 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2y 1
. 9 . 1540 . 1 1 2 ILE HB H -6.571 -6.667 2.275 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2y 1
. 9 . 1541 . 1 1 2 ILE HD11 H -6.097 -6.875 -1.420 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2y 1
. 9 . 1542 . 1 1 2 ILE HD12 H -4.893 -8.158 -1.356 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2y 1
. 9 . 1543 . 1 1 2 ILE HD13 H -4.431 -6.500 -0.973 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2y 1
. 9 . 1544 . 1 1 2 ILE HG12 H -4.629 -7.586 1.097 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2y 1
. 9 . 1545 . 1 1 2 ILE HG13 H -6.093 -8.426 0.619 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2y 1
. 9 . 1546 . 1 1 2 ILE HG21 H -7.687 -5.865 -0.400 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2y 1
. 9 . 1547 . 1 1 2 ILE HG22 H -8.433 -5.677 1.187 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2y 1
. 9 . 1548 . 1 1 2 ILE HG23 H -8.215 -7.287 0.500 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2y 1
. 9 . 1549 . 1 1 2 ILE N N -5.445 -4.565 -0.167 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2y 1
. 9 . 1550 . 1 1 2 ILE O O -4.390 -4.785 3.214 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2y 1
. 9 . 1551 . 1 1 3 ALA C C -0.959 -5.842 0.913 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2y 1
. 9 . 1552 . 1 1 3 ALA CA C -2.037 -5.625 1.969 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2y 1
. 9 . 1553 . 1 1 3 ALA CB C -2.025 -6.768 2.975 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2y 1
. 9 . 1554 . 1 1 3 ALA H H -3.450 -5.739 0.401 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2y 1
. 9 . 1555 . 1 1 3 ALA HA H -1.832 -4.705 2.498 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2y 1
. 9 . 1556 . 1 1 3 ALA HB1 H -1.036 -6.864 3.399 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2y 1
. 9 . 1557 . 1 1 3 ALA HB2 H -2.294 -7.687 2.477 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2y 1
. 9 . 1558 . 1 1 3 ALA HB3 H -2.736 -6.564 3.761 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2y 1
. 9 . 1559 . 1 1 3 ALA N N -3.350 -5.506 1.347 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2y 1
. 9 . 1560 . 1 1 3 ALA O O -0.939 -6.874 0.241 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2y 1
. 9 . 1561 . 1 1 4 DHA C C 2.085 -3.912 0.256 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2y 1
. 9 . 1562 . 1 1 4 DHA CA C 1.064 -4.847 -0.153 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2y 1
. 9 . 1563 . 1 1 4 DHA CB C 1.192 -5.589 -1.242 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2y 1
. 9 . 1564 . 1 1 4 DHA H H -0.149 -4.096 1.381 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2y 1
. 9 . 1565 . 1 1 4 DHA HB1 H 0.418 -6.288 -1.515 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2y 1
. 9 . 1566 . 1 1 4 DHA HB2 H 2.078 -5.502 -1.853 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2y 1
. 9 . 1567 . 1 1 4 DHA N N -0.061 -4.866 0.781 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2y 1
. 9 . 1568 . 1 1 4 DHA O O 1.885 -3.292 1.298 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2y 1
. 9 . 1569 . 1 1 5 ALA C C 4.429 -1.756 -1.180 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2y 1
. 9 . 1570 . 1 1 5 ALA CA C 4.201 -2.801 -0.098 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2y 1
. 9 . 1571 . 1 1 5 ALA CB C 5.476 -3.558 0.210 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2y 1
. 9 . 1572 . 1 1 5 ALA H H 3.259 -4.245 -1.321 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2y 1
. 9 . 1573 . 1 1 5 ALA HA H 3.883 -2.301 0.806 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2y 1
. 9 . 1574 . 1 1 5 ALA HB1 H 6.204 -2.884 0.633 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2y 1
. 9 . 1575 . 1 1 5 ALA HB2 H 5.866 -3.990 -0.701 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2y 1
. 9 . 1576 . 1 1 5 ALA HB3 H 5.257 -4.345 0.916 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2y 1
. 9 . 1577 . 1 1 5 ALA N N 3.161 -3.736 -0.489 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2y 1
. 9 . 1578 . 1 1 5 ALA O O 4.793 -2.090 -2.307 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2y 1
. 9 . 1579 . 1 1 6 SER C C 3.288 0.516 -2.852 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2y 1
. 9 . 1580 . 1 1 6 SER CA C 4.317 0.626 -1.827 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2y 1
. 9 . 1581 . 1 1 6 SER CB C 5.755 0.691 -2.416 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2y 1
. 9 . 1582 . 1 1 6 SER H H 3.963 -0.288 0.103 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2y 1
. 9 . 1583 . 1 1 6 SER HB2 H 5.934 -0.172 -3.039 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2y 1
. 9 . 1584 . 1 1 6 SER HB3 H 5.864 1.589 -3.006 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2y 1
. 9 . 1585 . 1 1 6 SER N N 4.204 -0.489 -0.825 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2y 1
. 9 . 1586 . 1 1 7 . C C -0.072 0.907 -4.004 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2y 1
. 9 . 1587 . 1 1 7 . CA C 1.342 0.618 -3.872 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2y 1
. 9 . 1588 . 1 1 7 . CB C 2.116 0.072 -4.938 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2y 1
. 9 . 1589 . 1 1 7 . HB H 1.747 -0.179 -5.921 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2y 1
. 9 . 1590 . 1 1 7 . N N 2.040 0.845 -2.739 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2y 1
. 9 . 1591 . 1 1 7 . O O -0.722 0.741 -5.036 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2y 1
. 9 . 1592 . 1 1 7 . SG S 3.701 -0.114 -4.404 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2y 1
. 9 . 1593 . 1 1 8 THR C C -1.857 3.456 -2.668 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2y 1
. 9 . 1594 . 1 1 8 THR CA C -1.951 1.947 -2.852 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2y 1
. 9 . 1595 . 1 1 8 THR CB C -2.842 1.346 -1.742 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2y 1
. 9 . 1596 . 1 1 8 THR CG2 C -2.228 1.546 -0.365 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2y 1
. 9 . 1597 . 1 1 8 THR H H -0.112 1.289 -2.034 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2y 1
. 9 . 1598 . 1 1 8 THR HA H -2.417 1.745 -3.806 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2y 1
. 9 . 1599 . 1 1 8 THR HB H -2.944 0.287 -1.922 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2y 1
. 9 . 1600 . 1 1 8 THR HG1 H -4.809 1.264 -1.859 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2y 1
. 9 . 1601 . 1 1 8 THR HG21 H -2.233 2.596 -0.114 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2y 1
. 9 . 1602 . 1 1 8 THR HG22 H -1.212 1.183 -0.370 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2y 1
. 9 . 1603 . 1 1 8 THR HG23 H -2.802 0.999 0.368 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2y 1
. 9 . 1604 . 1 1 8 THR N N -0.617 1.358 -2.872 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2y 1
. 9 . 1605 . 1 1 8 THR O O -0.787 3.988 -2.376 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2y 1
. 9 . 1606 . 1 1 8 THR OG1 O -4.141 1.948 -1.776 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2y 1
. 9 . 1607 . 1 1 9 DBU C C -3.476 6.222 -1.578 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2y 1
. 9 . 1608 . 1 1 9 DBU CA C -3.076 5.596 -2.857 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2y 1
. 9 . 1609 . 1 1 9 DBU CB C -2.822 6.331 -3.926 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2y 1
. 9 . 1610 . 1 1 9 DBU CG C -2.393 5.707 -5.261 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2y 1
. 9 . 1611 . 1 1 9 DBU HG1 H -2.003 6.476 -5.911 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2y 1
. 9 . 1612 . 1 1 9 DBU HG2 H -3.246 5.238 -5.729 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2y 1
. 9 . 1613 . 1 1 9 DBU HG3 H -1.627 4.963 -5.079 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2y 1
. 9 . 1614 . 1 1 9 DBU N N -2.977 4.138 -2.838 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2y 1
. 9 . 1615 . 1 1 10 CYS C C -4.677 5.632 1.710 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . rr_2l2y 1
. 9 . 1616 . 1 1 10 CYS CA C -3.913 6.411 0.663 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . rr_2l2y 1
. 9 . 1617 . 1 1 10 CYS CB C -4.773 7.530 0.084 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . rr_2l2y 1
. 9 . 1618 . 1 1 10 CYS HA H -3.040 6.856 1.124 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . rr_2l2y 1
. 9 . 1619 . 1 1 10 CYS HB2 H -5.799 7.194 -0.032 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB2 . . . . . . . . . rr_2l2y 1
. 9 . 1620 . 1 1 10 CYS HB3 H -4.722 8.411 0.697 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . rr_2l2y 1
. 9 . 1621 . 1 1 10 CYS N N -3.469 5.572 -0.450 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . rr_2l2y 1
. 9 . 1622 . 1 1 10 CYS O O -5.346 6.252 2.537 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . rr_2l2y 1
. 9 . 1623 . 1 1 10 CYS SG S -4.012 7.867 -1.512 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . rr_2l2y 1
. 9 . 1624 . 1 1 11 . C C -4.066 2.952 3.639 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2y 1
. 9 . 1625 . 1 1 11 . CA C -5.173 3.464 2.715 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2y 1
. 9 . 1626 . 1 1 11 . CB C -5.976 2.278 2.077 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2y 1
. 9 . 1627 . 1 1 11 . CD1 C -7.747 1.874 0.200 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2y 1
. 9 . 1628 . 1 1 11 . CG1 C -6.973 2.888 1.033 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2y 1
. 9 . 1629 . 1 1 11 . CG2 C -6.716 1.511 3.128 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2y 1
. 9 . 1630 . 1 1 11 . H H -4.100 3.880 0.941 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2y 1
. 9 . 1631 . 1 1 11 . HA H -5.852 4.079 3.288 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2y 1
. 9 . 1632 . 1 1 11 . HD11 H -7.054 1.203 -0.284 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2y 1
. 9 . 1633 . 1 1 11 . HD12 H -8.327 2.392 -0.549 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2y 1
. 9 . 1634 . 1 1 11 . HD13 H -8.408 1.310 0.841 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2y 1
. 9 . 1635 . 1 1 11 . HD2 H -8.045 4.521 1.325 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2y 1
. 9 . 1636 . 1 1 11 . HG1 H -6.431 3.530 0.355 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2y 1
. 9 . 1637 . 1 1 11 . HG21 H -6.015 1.101 3.838 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2y 1
. 9 . 1638 . 1 1 11 . HG22 H -7.268 0.707 2.664 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2y 1
. 9 . 1639 . 1 1 11 . HG23 H -7.401 2.170 3.640 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2y 1
. 9 . 1640 . 1 1 11 . HG3 H -5.229 0.511 1.684 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2y 1
. 9 . 1641 . 1 1 11 . N N -4.582 4.305 1.680 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2y 1
. 9 . 1642 . 1 1 11 . OD2 O -7.899 3.689 1.781 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2y 1
. 9 . 1643 . 1 1 11 . OG3 O -5.075 1.417 1.406 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2y 1
. 9 . 1644 . 1 1 12 . C C -0.831 1.516 4.143 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2y 1
. 9 . 1645 . 1 1 12 . CA C -2.155 2.094 4.289 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2y 1
. 9 . 1646 . 1 1 12 . CB C -2.749 2.322 5.571 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2y 1
. 9 . 1647 . 1 1 12 . HB H -2.294 2.097 6.525 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2y 1
. 9 . 1648 . 1 1 12 . N N -2.933 2.463 3.245 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2y 1
. 9 . 1649 . 1 1 12 . O O -0.114 1.184 5.087 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2y 1
. 9 . 1650 . 1 1 12 . SG S -4.274 2.999 5.344 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2y 1
. 9 . 1651 . 1 1 13 THR C C 1.454 1.551 1.332 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2y 1
. 9 . 1652 . 1 1 13 THR CA C 0.847 0.806 2.521 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2y 1
. 9 . 1653 . 1 1 13 THR CB C 0.755 -0.705 2.226 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2y 1
. 9 . 1654 . 1 1 13 THR CG2 C 0.523 -1.502 3.498 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2y 1
. 9 . 1655 . 1 1 13 THR H H -1.072 1.637 2.158 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2y 1
. 9 . 1656 . 1 1 13 THR HA H 1.496 0.932 3.375 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2y 1
. 9 . 1657 . 1 1 13 THR HB H 1.676 -1.040 1.768 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2y 1
. 9 . 1658 . 1 1 13 THR HG21 H 0.565 -2.557 3.273 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2y 1
. 9 . 1659 . 1 1 13 THR HG22 H -0.449 -1.259 3.901 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2y 1
. 9 . 1660 . 1 1 13 THR HG23 H 1.286 -1.256 4.221 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2y 1
. 9 . 1661 . 1 1 13 THR N N -0.459 1.366 2.872 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2y 1
. 9 . 1662 . 1 1 13 THR OG1 O -0.400 -0.993 1.339 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2y 1
. 9 . 1663 . 1 1 14 . C C 4.176 1.948 -0.987 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2y 1
. 9 . 1664 . 1 1 14 . CA C 2.879 2.105 -0.240 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2y 1
. 9 . 1665 . 1 1 14 . CB C 1.858 3.072 -0.508 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2y 1
. 9 . 1666 . 1 1 14 . HB H 1.884 3.817 -1.289 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2y 1
. 9 . 1667 . 1 1 14 . N N 2.602 1.282 0.796 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2y 1
. 9 . 1668 . 1 1 14 . SG S 0.608 2.855 0.599 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2y 1
. 9 . 1669 . 1 1 15 . C C 7.304 1.616 0.995 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2y 1
. 9 . 1670 . 1 1 15 . CA C 6.343 1.474 -0.119 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2y 1
. 9 . 1671 . 1 1 15 . CB C 6.791 0.707 -1.293 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2y 1
. 9 . 1672 . 1 1 15 . HB2 H 6.986 -0.311 -0.994 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2y 1
. 9 . 1673 . 1 1 15 . HB3 H 7.704 1.139 -1.680 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2y 1
. 9 . 1674 . 1 1 15 . N N 5.200 2.038 0.062 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2y 1
. 9 . 1675 . 1 1 16 . C C 10.515 0.940 2.380 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2y 1
. 9 . 1676 . 1 1 16 . CA C 9.161 1.387 2.125 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2y 1
. 9 . 1677 . 1 1 16 . CB C 8.416 2.161 3.072 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2y 1
. 9 . 1678 . 1 1 16 . HB H 8.769 2.485 4.039 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2y 1
. 9 . 1679 . 1 1 16 . N N 8.492 1.110 0.984 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2y 1
. 9 . 1680 . 1 1 16 . O O 11.144 1.182 3.409 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2y 1
. 9 . 1681 . 1 1 16 . SG S 6.895 2.484 2.421 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2y 1
. 9 . 1682 . 1 1 17 DHA C C 12.626 -1.027 0.024 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2y 1
. 9 . 1683 . 1 1 17 DHA CA C 12.352 -0.391 1.303 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2y 1
. 9 . 1684 . 1 1 17 DHA CB C 13.251 -0.399 2.277 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2y 1
. 9 . 1685 . 1 1 17 DHA H H 10.433 0.118 0.583 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2y 1
. 9 . 1686 . 1 1 17 DHA HB1 H 14.205 -0.883 2.126 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2y 1
. 9 . 1687 . 1 1 17 DHA HB2 H 13.035 0.079 3.219 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2y 1
. 9 . 1688 . 1 1 17 DHA N N 11.015 0.230 1.364 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2y 1
. 9 . 1689 . 1 1 17 DHA O O 11.745 -0.978 -0.834 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2y 1
. 9 . 1690 . 1 1 18 NH2 HN1 H 13.973 -2.057 -1.039 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . rr_2l2y 1
. 9 . 1691 . 1 1 18 NH2 HN2 H 14.460 -1.639 0.543 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . rr_2l2y 1
. 9 . 1692 . 1 1 18 NH2 N N 13.794 -1.630 -0.176 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . rr_2l2y 1
. 10 . 1693 . 1 1 1 QUA C10 C -3.666 -2.410 -2.041 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2y 1
. 10 . 1694 . 1 1 1 QUA C11 C -0.146 -1.333 0.068 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2y 1
. 10 . 1695 . 1 1 1 QUA C13 C -2.339 -2.759 -4.186 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2y 1
. 10 . 1696 . 1 1 1 QUA C14 C -2.369 -4.277 -4.332 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2y 1
. 10 . 1697 . 1 1 1 QUA C2 C -1.405 -1.711 -0.652 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2y 1
. 10 . 1698 . 1 1 1 QUA C3 C -1.290 -2.034 -1.999 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2y 1
. 10 . 1699 . 1 1 1 QUA C4 C -2.438 -2.389 -2.709 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2y 1
. 10 . 1700 . 1 1 1 QUA C5 C -4.932 -2.759 -2.712 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2y 1
. 10 . 1701 . 1 1 1 QUA C6 C -5.975 -3.112 -2.038 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2y 1
. 10 . 1702 . 1 1 1 QUA C7 C -5.942 -3.198 -0.515 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2y 1
. 10 . 1703 . 1 1 1 QUA C8 C -5.006 -2.105 0.070 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2y 1
. 10 . 1704 . 1 1 1 QUA C9 C -3.687 -2.075 -0.695 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2y 1
. 10 . 1705 . 1 1 1 QUA H13 H -3.183 -2.350 -4.719 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2y 1
. 10 . 1706 . 1 1 1 QUA H141 H -3.170 -4.687 -3.727 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2y 1
. 10 . 1707 . 1 1 1 QUA H142 H -1.426 -4.689 -4.002 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2y 1
. 10 . 1708 . 1 1 1 QUA H143 H -2.532 -4.537 -5.367 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2y 1
. 10 . 1709 . 1 1 1 QUA H15 H -0.375 -2.676 -4.363 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2y 1
. 10 . 1710 . 1 1 1 QUA H16 H -5.003 -0.134 -0.023 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2y 1
. 10 . 1711 . 1 1 1 QUA HC3 H -0.328 -2.009 -2.489 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2y 1
. 10 . 1712 . 1 1 1 QUA HC5 H -4.998 -2.712 -3.786 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2y 1
. 10 . 1713 . 1 1 1 QUA HC6 H -6.883 -3.355 -2.565 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2y 1
. 10 . 1714 . 1 1 1 QUA HC71 H -6.934 -3.085 -0.112 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2y 1
. 10 . 1715 . 1 1 1 QUA HC8 H -4.815 -2.342 1.106 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2y 1
. 10 . 1716 . 1 1 1 QUA N1 N -2.586 -1.725 0.027 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2y 1
. 10 . 1717 . 1 1 1 QUA O12 O 0.961 -1.319 -0.473 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2y 1
. 10 . 1718 . 1 1 1 QUA O15 O -1.133 -2.249 -4.769 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2y 1
. 10 . 1719 . 1 1 1 QUA O16 O -5.661 -0.833 0.006 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2y 1
. 10 . 1720 . 1 1 2 ILE C C -4.429 -5.108 1.980 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2y 1
. 10 . 1721 . 1 1 2 ILE CA C -5.714 -5.037 1.162 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2y 1
. 10 . 1722 . 1 1 2 ILE CB C -6.396 -6.428 1.154 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2y 1
. 10 . 1723 . 1 1 2 ILE CD1 C -5.165 -7.231 -0.983 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2y 1
. 10 . 1724 . 1 1 2 ILE CG1 C -5.515 -7.501 0.474 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2y 1
. 10 . 1725 . 1 1 2 ILE CG2 C -7.757 -6.342 0.480 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2y 1
. 10 . 1726 . 1 1 2 ILE H H -4.471 -4.597 -0.382 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2y 1
. 10 . 1727 . 1 1 2 ILE HA H -6.387 -4.330 1.628 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2y 1
. 10 . 1728 . 1 1 2 ILE HB H -6.561 -6.716 2.182 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2y 1
. 10 . 1729 . 1 1 2 ILE HD11 H -4.797 -8.139 -1.437 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2y 1
. 10 . 1730 . 1 1 2 ILE HD12 H -4.399 -6.469 -1.040 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2y 1
. 10 . 1731 . 1 1 2 ILE HD13 H -6.043 -6.896 -1.513 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2y 1
. 10 . 1732 . 1 1 2 ILE HG12 H -4.588 -7.592 1.018 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2y 1
. 10 . 1733 . 1 1 2 ILE HG13 H -6.033 -8.448 0.515 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2y 1
. 10 . 1734 . 1 1 2 ILE HG21 H -8.420 -5.740 1.084 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2y 1
. 10 . 1735 . 1 1 2 ILE HG22 H -8.169 -7.335 0.373 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2y 1
. 10 . 1736 . 1 1 2 ILE HG23 H -7.650 -5.890 -0.495 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2y 1
. 10 . 1737 . 1 1 2 ILE N N -5.436 -4.568 -0.218 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2y 1
. 10 . 1738 . 1 1 2 ILE O O -4.420 -4.811 3.176 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2y 1
. 10 . 1739 . 1 1 3 ALA C C -0.947 -5.836 0.918 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2y 1
. 10 . 1740 . 1 1 3 ALA CA C -2.040 -5.614 1.958 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2y 1
. 10 . 1741 . 1 1 3 ALA CB C -2.038 -6.749 2.973 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2y 1
. 10 . 1742 . 1 1 3 ALA H H -3.426 -5.727 0.366 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2y 1
. 10 . 1743 . 1 1 3 ALA HA H -1.845 -4.690 2.483 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2y 1
. 10 . 1744 . 1 1 3 ALA HB1 H -2.748 -6.533 3.757 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2y 1
. 10 . 1745 . 1 1 3 ALA HB2 H -1.051 -6.850 3.398 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2y 1
. 10 . 1746 . 1 1 3 ALA HB3 H -2.314 -7.672 2.483 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2y 1
. 10 . 1747 . 1 1 3 ALA N N -3.345 -5.503 1.317 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2y 1
. 10 . 1748 . 1 1 3 ALA O O -0.926 -6.863 0.241 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2y 1
. 10 . 1749 . 1 1 4 DHA C C 2.117 -3.916 0.299 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2y 1
. 10 . 1750 . 1 1 4 DHA CA C 1.098 -4.850 -0.117 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2y 1
. 10 . 1751 . 1 1 4 DHA CB C 1.237 -5.594 -1.202 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2y 1
. 10 . 1752 . 1 1 4 DHA H H -0.127 -4.098 1.408 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2y 1
. 10 . 1753 . 1 1 4 DHA HB1 H 0.467 -6.294 -1.482 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2y 1
. 10 . 1754 . 1 1 4 DHA HB2 H 2.130 -5.509 -1.804 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2y 1
. 10 . 1755 . 1 1 4 DHA N N -0.038 -4.867 0.804 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2y 1
. 10 . 1756 . 1 1 4 DHA O O 1.909 -3.293 1.337 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2y 1
. 10 . 1757 . 1 1 5 ALA C C 4.449 -1.765 -1.148 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2y 1
. 10 . 1758 . 1 1 5 ALA CA C 4.228 -2.797 -0.054 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2y 1
. 10 . 1759 . 1 1 5 ALA CB C 5.508 -3.540 0.268 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2y 1
. 10 . 1760 . 1 1 5 ALA H H 3.308 -4.265 -1.262 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2y 1
. 10 . 1761 . 1 1 5 ALA HA H 3.902 -2.290 0.843 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2y 1
. 10 . 1762 . 1 1 5 ALA HB1 H 5.296 -4.303 1.004 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2y 1
. 10 . 1763 . 1 1 5 ALA HB2 H 6.237 -2.849 0.662 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2y 1
. 10 . 1764 . 1 1 5 ALA HB3 H 5.891 -4.001 -0.630 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2y 1
. 10 . 1765 . 1 1 5 ALA N N 3.198 -3.745 -0.438 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2y 1
. 10 . 1766 . 1 1 5 ALA O O 4.819 -2.107 -2.270 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2y 1
. 10 . 1767 . 1 1 6 SER C C 3.242 0.483 -2.828 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2y 1
. 10 . 1768 . 1 1 6 SER CA C 4.294 0.609 -1.826 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2y 1
. 10 . 1769 . 1 1 6 SER CB C 5.716 0.676 -2.450 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2y 1
. 10 . 1770 . 1 1 6 SER H H 3.970 -0.288 0.118 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2y 1
. 10 . 1771 . 1 1 6 SER HB2 H 5.885 -0.190 -3.071 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2y 1
. 10 . 1772 . 1 1 6 SER HB3 H 5.807 1.571 -3.048 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2y 1
. 10 . 1773 . 1 1 6 SER N N 4.207 -0.496 -0.810 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2y 1
. 10 . 1774 . 1 1 7 . C C -0.141 0.859 -3.925 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2y 1
. 10 . 1775 . 1 1 7 . CA C 1.275 0.571 -3.811 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2y 1
. 10 . 1776 . 1 1 7 . CB C 2.027 0.005 -4.883 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2y 1
. 10 . 1777 . 1 1 7 . HB H 1.640 -0.265 -5.853 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2y 1
. 10 . 1778 . 1 1 7 . N N 1.995 0.817 -2.696 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2y 1
. 10 . 1779 . 1 1 7 . O O -0.810 0.663 -4.939 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2y 1
. 10 . 1780 . 1 1 7 . SG S 3.621 -0.175 -4.376 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2y 1
. 10 . 1781 . 1 1 8 THR C C -1.909 3.449 -2.624 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2y 1
. 10 . 1782 . 1 1 8 THR CA C -1.998 1.939 -2.777 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2y 1
. 10 . 1783 . 1 1 8 THR CB C -2.872 1.358 -1.646 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2y 1
. 10 . 1784 . 1 1 8 THR CG2 C -2.220 1.548 -0.285 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2y 1
. 10 . 1785 . 1 1 8 THR H H -0.140 1.313 -1.971 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2y 1
. 10 . 1786 . 1 1 8 THR HA H -2.476 1.717 -3.721 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2y 1
. 10 . 1787 . 1 1 8 THR HB H -3.000 0.302 -1.822 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2y 1
. 10 . 1788 . 1 1 8 THR HG1 H -4.765 1.485 -1.099 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2y 1
. 10 . 1789 . 1 1 8 THR HG21 H -1.210 1.169 -0.317 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2y 1
. 10 . 1790 . 1 1 8 THR HG22 H -2.782 1.010 0.462 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2y 1
. 10 . 1791 . 1 1 8 THR HG23 H -2.203 2.598 -0.035 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2y 1
. 10 . 1792 . 1 1 8 THR N N -0.663 1.351 -2.801 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2y 1
. 10 . 1793 . 1 1 8 THR O O -0.854 3.989 -2.288 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2y 1
. 10 . 1794 . 1 1 8 THR OG1 O -4.160 1.987 -1.651 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2y 1
. 10 . 1795 . 1 1 9 DBU C C -3.505 6.232 -1.644 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2y 1
. 10 . 1796 . 1 1 9 DBU CA C -3.119 5.582 -2.915 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2y 1
. 10 . 1797 . 1 1 9 DBU CB C -2.880 6.294 -4.004 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2y 1
. 10 . 1798 . 1 1 9 DBU CG C -2.468 5.640 -5.330 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2y 1
. 10 . 1799 . 1 1 9 DBU HG1 H -1.715 4.884 -5.137 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2y 1
. 10 . 1800 . 1 1 9 DBU HG2 H -2.064 6.390 -5.993 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2y 1
. 10 . 1801 . 1 1 9 DBU HG3 H -3.329 5.178 -5.788 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2y 1
. 10 . 1802 . 1 1 9 DBU N N -3.019 4.126 -2.867 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2y 1
. 10 . 1803 . 1 1 10 CYS C C -4.687 5.684 1.652 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . rr_2l2y 1
. 10 . 1804 . 1 1 10 CYS CA C -3.918 6.449 0.601 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . rr_2l2y 1
. 10 . 1805 . 1 1 10 CYS CB C -4.767 7.575 0.018 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . rr_2l2y 1
. 10 . 1806 . 1 1 10 CYS HA H -3.038 6.887 1.056 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . rr_2l2y 1
. 10 . 1807 . 1 1 10 CYS HB2 H -5.800 7.256 -0.075 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB2 . . . . . . . . . rr_2l2y 1
. 10 . 1808 . 1 1 10 CYS HB3 H -4.691 8.464 0.619 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . rr_2l2y 1
. 10 . 1809 . 1 1 10 CYS N N -3.488 5.597 -0.508 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . rr_2l2y 1
. 10 . 1810 . 1 1 10 CYS O O -5.441 6.302 2.403 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . rr_2l2y 1
. 10 . 1811 . 1 1 10 CYS SG S -4.029 7.881 -1.595 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . rr_2l2y 1
. 10 . 1812 . 1 1 11 . C C -4.039 2.976 3.656 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2y 1
. 10 . 1813 . 1 1 11 . CA C -5.123 3.539 2.735 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2y 1
. 10 . 1814 . 1 1 11 . CB C -5.972 2.391 2.085 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2y 1
. 10 . 1815 . 1 1 11 . CD1 C -7.799 2.088 0.240 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2y 1
. 10 . 1816 . 1 1 11 . CG1 C -6.963 3.055 1.067 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2y 1
. 10 . 1817 . 1 1 11 . CG2 C -6.723 1.628 3.131 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2y 1
. 10 . 1818 . 1 1 11 . H H -3.930 3.939 1.037 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2y 1
. 10 . 1819 . 1 1 11 . HA H -5.779 4.173 3.314 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2y 1
. 10 . 1820 . 1 1 11 . HD11 H -7.148 1.388 -0.263 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2y 1
. 10 . 1821 . 1 1 11 . HD12 H -8.367 2.640 -0.494 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2y 1
. 10 . 1822 . 1 1 11 . HD13 H -8.476 1.550 0.888 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2y 1
. 10 . 1823 . 1 1 11 . HD2 H -8.324 4.471 1.262 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2y 1
. 10 . 1824 . 1 1 11 . HG1 H -6.406 3.680 0.387 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2y 1
. 10 . 1825 . 1 1 11 . HG21 H -7.342 0.880 2.658 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2y 1
. 10 . 1826 . 1 1 11 . HG22 H -7.347 2.307 3.695 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2y 1
. 10 . 1827 . 1 1 11 . HG23 H -6.025 1.145 3.799 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2y 1
. 10 . 1828 . 1 1 11 . HG3 H -5.111 1.740 0.452 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2y 1
. 10 . 1829 . 1 1 11 . N N -4.501 4.366 1.708 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2y 1
. 10 . 1830 . 1 1 11 . OD2 O -7.835 3.886 1.845 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2y 1
. 10 . 1831 . 1 1 11 . OG3 O -5.108 1.515 1.385 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2y 1
. 10 . 1832 . 1 1 12 . C C -0.835 1.472 4.156 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2y 1
. 10 . 1833 . 1 1 12 . CA C -2.151 2.065 4.303 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2y 1
. 10 . 1834 . 1 1 12 . CB C -2.760 2.257 5.583 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2y 1
. 10 . 1835 . 1 1 12 . HB H -2.323 1.991 6.534 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2y 1
. 10 . 1836 . 1 1 12 . N N -2.908 2.483 3.261 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2y 1
. 10 . 1837 . 1 1 12 . O O -0.134 1.101 5.097 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2y 1
. 10 . 1838 . 1 1 12 . SG S -4.272 2.966 5.360 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2y 1
. 10 . 1839 . 1 1 13 THR C C 1.462 1.541 1.347 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2y 1
. 10 . 1840 . 1 1 13 THR CA C 0.856 0.791 2.532 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2y 1
. 10 . 1841 . 1 1 13 THR CB C 0.760 -0.720 2.230 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2y 1
. 10 . 1842 . 1 1 13 THR CG2 C 0.517 -1.525 3.494 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2y 1
. 10 . 1843 . 1 1 13 THR H H -1.051 1.652 2.171 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2y 1
. 10 . 1844 . 1 1 13 THR HA H 1.504 0.912 3.388 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2y 1
. 10 . 1845 . 1 1 13 THR HB H 1.682 -1.055 1.774 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2y 1
. 10 . 1846 . 1 1 13 THR HG21 H -0.449 -1.269 3.903 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2y 1
. 10 . 1847 . 1 1 13 THR HG22 H 1.285 -1.299 4.217 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2y 1
. 10 . 1848 . 1 1 13 THR HG23 H 0.541 -2.578 3.259 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2y 1
. 10 . 1849 . 1 1 13 THR N N -0.448 1.354 2.885 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2y 1
. 10 . 1850 . 1 1 13 THR OG1 O -0.390 -0.998 1.333 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2y 1
. 10 . 1851 . 1 1 14 . C C 4.168 1.936 -0.994 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2y 1
. 10 . 1852 . 1 1 14 . CA C 2.880 2.098 -0.231 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2y 1
. 10 . 1853 . 1 1 14 . CB C 1.868 3.078 -0.479 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2y 1
. 10 . 1854 . 1 1 14 . HB H 1.896 3.829 -1.253 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2y 1
. 10 . 1855 . 1 1 14 . N N 2.604 1.267 0.799 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2y 1
. 10 . 1856 . 1 1 14 . SG S 0.625 2.861 0.634 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2y 1
. 10 . 1857 . 1 1 15 . C C 7.346 1.611 0.921 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2y 1
. 10 . 1858 . 1 1 15 . CA C 6.354 1.469 -0.168 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2y 1
. 10 . 1859 . 1 1 15 . CB C 6.780 0.705 -1.354 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2y 1
. 10 . 1860 . 1 1 15 . HB2 H 6.993 -0.310 -1.060 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2y 1
. 10 . 1861 . 1 1 15 . HB3 H 7.678 1.147 -1.764 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2y 1
. 10 . 1862 . 1 1 15 . N N 5.213 2.031 0.038 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2y 1
. 10 . 1863 . 1 1 16 . C C 10.584 0.891 2.224 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2y 1
. 10 . 1864 . 1 1 16 . CA C 9.231 1.362 2.003 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2y 1
. 10 . 1865 . 1 1 16 . CB C 8.527 2.163 2.959 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2y 1
. 10 . 1866 . 1 1 16 . HB H 8.914 2.493 3.912 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2y 1
. 10 . 1867 . 1 1 16 . N N 8.525 1.085 0.884 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2y 1
. 10 . 1868 . 1 1 16 . O O 11.247 1.131 3.232 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2y 1
. 10 . 1869 . 1 1 16 . SG S 6.994 2.505 2.347 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2y 1
. 10 . 1870 . 1 1 17 DHA C C 12.611 -1.088 -0.191 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2y 1
. 10 . 1871 . 1 1 17 DHA CA C 12.353 -0.504 1.117 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2y 1
. 10 . 1872 . 1 1 17 DHA CB C 13.241 -0.595 2.096 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2y 1
. 10 . 1873 . 1 1 17 DHA H H 10.448 0.085 0.424 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2y 1
. 10 . 1874 . 1 1 17 DHA HB1 H 14.175 -1.110 1.930 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2y 1
. 10 . 1875 . 1 1 17 DHA HB2 H 13.035 -0.156 3.059 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2y 1
. 10 . 1876 . 1 1 17 DHA N N 11.042 0.167 1.198 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2y 1
. 10 . 1877 . 1 1 17 DHA O O 11.740 -0.962 -1.051 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2y 1
. 10 . 1878 . 1 1 18 NH2 HN1 H 13.924 -2.121 -1.293 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . rr_2l2y 1
. 10 . 1879 . 1 1 18 NH2 HN2 H 14.414 -1.799 0.311 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . rr_2l2y 1
. 10 . 1880 . 1 1 18 NH2 N N 13.756 -1.728 -0.411 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . rr_2l2y 1
. 11 . 1881 . 1 1 1 QUA C10 C -3.769 -2.419 -2.007 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2y 1
. 11 . 1882 . 1 1 1 QUA C11 C -0.213 -1.352 0.049 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2y 1
. 11 . 1883 . 1 1 1 QUA C13 C -2.484 -2.743 -4.181 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2y 1
. 11 . 1884 . 1 1 1 QUA C14 C -2.517 -4.259 -4.346 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2y 1
. 11 . 1885 . 1 1 1 QUA C2 C -1.484 -1.726 -0.652 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2y 1
. 11 . 1886 . 1 1 1 QUA C3 C -1.393 -2.036 -2.005 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2y 1
. 11 . 1887 . 1 1 1 QUA C4 C -2.553 -2.388 -2.698 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2y 1
. 11 . 1888 . 1 1 1 QUA C5 C -5.046 -2.768 -2.658 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2y 1
. 11 . 1889 . 1 1 1 QUA C6 C -6.075 -3.132 -1.968 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2y 1
. 11 . 1890 . 1 1 1 QUA C7 C -6.014 -3.233 -0.446 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2y 1
. 11 . 1891 . 1 1 1 QUA C8 C -5.072 -2.140 0.131 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2y 1
. 11 . 1892 . 1 1 1 QUA C9 C -3.767 -2.097 -0.658 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2y 1
. 11 . 1893 . 1 1 1 QUA H13 H -3.336 -2.327 -4.693 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2y 1
. 11 . 1894 . 1 1 1 QUA H141 H -1.561 -4.674 -4.062 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2y 1
. 11 . 1895 . 1 1 1 QUA H142 H -2.725 -4.504 -5.377 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2y 1
. 11 . 1896 . 1 1 1 QUA H143 H -3.292 -4.676 -3.713 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2y 1
. 11 . 1897 . 1 1 1 QUA H15 H -0.647 -2.931 -4.875 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2y 1
. 11 . 1898 . 1 1 1 QUA H16 H -6.328 -0.793 0.839 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2y 1
. 11 . 1899 . 1 1 1 QUA HC3 H -0.441 -2.002 -2.512 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2y 1
. 11 . 1900 . 1 1 1 QUA HC5 H -5.132 -2.711 -3.730 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2y 1
. 11 . 1901 . 1 1 1 QUA HC6 H -6.992 -3.375 -2.482 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2y 1
. 11 . 1902 . 1 1 1 QUA HC71 H -6.999 -3.125 -0.025 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2y 1
. 11 . 1903 . 1 1 1 QUA HC8 H -4.861 -2.384 1.161 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2y 1
. 11 . 1904 . 1 1 1 QUA N1 N -2.654 -1.751 0.048 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2y 1
. 11 . 1905 . 1 1 1 QUA O12 O 0.883 -1.329 -0.512 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2y 1
. 11 . 1906 . 1 1 1 QUA O15 O -1.289 -2.226 -4.780 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2y 1
. 11 . 1907 . 1 1 1 QUA O16 O -5.734 -0.870 0.088 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2y 1
. 11 . 1908 . 1 1 2 ILE C C -4.410 -5.087 2.005 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2y 1
. 11 . 1909 . 1 1 2 ILE CA C -5.721 -5.068 1.226 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2y 1
. 11 . 1910 . 1 1 2 ILE CB C -6.355 -6.481 1.255 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2y 1
. 11 . 1911 . 1 1 2 ILE CD1 C -5.247 -7.250 -0.959 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2y 1
. 11 . 1912 . 1 1 2 ILE CG1 C -5.482 -7.525 0.520 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2y 1
. 11 . 1913 . 1 1 2 ILE CG2 C -7.759 -6.442 0.669 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2y 1
. 11 . 1914 . 1 1 2 ILE H H -4.542 -4.637 -0.371 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2y 1
. 11 . 1915 . 1 1 2 ILE HA H -6.402 -4.378 1.704 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2y 1
. 11 . 1916 . 1 1 2 ILE HB H -6.446 -6.776 2.292 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2y 1
. 11 . 1917 . 1 1 2 ILE HD11 H -4.495 -6.478 -1.073 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2y 1
. 11 . 1918 . 1 1 2 ILE HD12 H -6.166 -6.925 -1.420 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2y 1
. 11 . 1919 . 1 1 2 ILE HD13 H -4.905 -8.153 -1.440 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2y 1
. 11 . 1920 . 1 1 2 ILE HG12 H -4.516 -7.574 0.997 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2y 1
. 11 . 1921 . 1 1 2 ILE HG13 H -5.960 -8.490 0.601 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2y 1
. 11 . 1922 . 1 1 2 ILE HG21 H -7.734 -5.960 -0.297 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2y 1
. 11 . 1923 . 1 1 2 ILE HG22 H -8.410 -5.889 1.330 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2y 1
. 11 . 1924 . 1 1 2 ILE HG23 H -8.131 -7.450 0.559 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2y 1
. 11 . 1925 . 1 1 2 ILE N N -5.500 -4.604 -0.168 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2y 1
. 11 . 1926 . 1 1 2 ILE O O -4.372 -4.752 3.190 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2y 1
. 11 . 1927 . 1 1 3 ALA C C -0.941 -5.743 0.864 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2y 1
. 11 . 1928 . 1 1 3 ALA CA C -2.012 -5.533 1.929 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2y 1
. 11 . 1929 . 1 1 3 ALA CB C -1.941 -6.644 2.969 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2y 1
. 11 . 1930 . 1 1 3 ALA H H -3.441 -5.742 0.385 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2y 1
. 11 . 1931 . 1 1 3 ALA HA H -1.833 -4.591 2.427 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2y 1
. 11 . 1932 . 1 1 3 ALA HB1 H -2.169 -7.591 2.503 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2y 1
. 11 . 1933 . 1 1 3 ALA HB2 H -2.656 -6.449 3.755 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2y 1
. 11 . 1934 . 1 1 3 ALA HB3 H -0.947 -6.680 3.390 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2y 1
. 11 . 1935 . 1 1 3 ALA N N -3.337 -5.481 1.324 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2y 1
. 11 . 1936 . 1 1 3 ALA O O -0.969 -6.732 0.135 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2y 1
. 11 . 1937 . 1 1 4 DHA C C 2.171 -3.878 0.290 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2y 1
. 11 . 1938 . 1 1 4 DHA CA C 1.129 -4.778 -0.144 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2y 1
. 11 . 1939 . 1 1 4 DHA CB C 1.239 -5.485 -1.258 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2y 1
. 11 . 1940 . 1 1 4 DHA H H -0.049 -4.069 1.438 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2y 1
. 11 . 1941 . 1 1 4 DHA HB1 H 0.450 -6.158 -1.552 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2y 1
. 11 . 1942 . 1 1 4 DHA HB2 H 2.124 -5.395 -1.869 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2y 1
. 11 . 1943 . 1 1 4 DHA N N 0.003 -4.804 0.792 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2y 1
. 11 . 1944 . 1 1 4 DHA O O 1.988 -3.287 1.350 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2y 1
. 11 . 1945 . 1 1 5 ALA C C 4.526 -1.735 -1.139 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2y 1
. 11 . 1946 . 1 1 5 ALA CA C 4.297 -2.781 -0.060 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2y 1
. 11 . 1947 . 1 1 5 ALA CB C 5.567 -3.553 0.235 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2y 1
. 11 . 1948 . 1 1 5 ALA H H 3.341 -4.207 -1.291 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2y 1
. 11 . 1949 . 1 1 5 ALA HA H 3.986 -2.284 0.847 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2y 1
. 11 . 1950 . 1 1 5 ALA HB1 H 5.353 -4.313 0.974 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2y 1
. 11 . 1951 . 1 1 5 ALA HB2 H 6.319 -2.879 0.615 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2y 1
. 11 . 1952 . 1 1 5 ALA HB3 H 5.922 -4.020 -0.670 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2y 1
. 11 . 1953 . 1 1 5 ALA N N 3.248 -3.704 -0.456 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2y 1
. 11 . 1954 . 1 1 5 ALA O O 4.926 -2.064 -2.256 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2y 1
. 11 . 1955 . 1 1 6 SER C C 3.261 0.464 -2.817 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2y 1
. 11 . 1956 . 1 1 6 SER CA C 4.310 0.633 -1.817 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2y 1
. 11 . 1957 . 1 1 6 SER CB C 5.729 0.745 -2.447 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2y 1
. 11 . 1958 . 1 1 6 SER H H 4.038 -0.264 0.134 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2y 1
. 11 . 1959 . 1 1 6 SER HB2 H 5.931 -0.125 -3.053 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2y 1
. 11 . 1960 . 1 1 6 SER HB3 H 5.781 1.631 -3.063 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2y 1
. 11 . 1961 . 1 1 6 SER N N 4.263 -0.470 -0.797 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2y 1
. 11 . 1962 . 1 1 7 . C C -0.116 0.802 -3.926 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2y 1
. 11 . 1963 . 1 1 7 . CA C 1.298 0.513 -3.805 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2y 1
. 11 . 1964 . 1 1 7 . CB C 2.049 -0.102 -4.851 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2y 1
. 11 . 1965 . 1 1 7 . HB H 1.661 -0.412 -5.810 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2y 1
. 11 . 1966 . 1 1 7 . N N 2.018 0.805 -2.702 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2y 1
. 11 . 1967 . 1 1 7 . O O -0.792 0.573 -4.930 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2y 1
. 11 . 1968 . 1 1 7 . SG S 3.642 -0.263 -4.335 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2y 1
. 11 . 1969 . 1 1 8 THR C C -1.813 3.453 -2.589 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2y 1
. 11 . 1970 . 1 1 8 THR CA C -1.945 1.953 -2.803 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2y 1
. 11 . 1971 . 1 1 8 THR CB C -2.865 1.356 -1.717 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2y 1
. 11 . 1972 . 1 1 8 THR CG2 C -2.258 1.509 -0.330 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2y 1
. 11 . 1973 . 1 1 8 THR H H -0.108 1.296 -1.984 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2y 1
. 11 . 1974 . 1 1 8 THR HA H -2.403 1.780 -3.767 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2y 1
. 11 . 1975 . 1 1 8 THR HB H -2.998 0.306 -1.921 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2y 1
. 11 . 1976 . 1 1 8 THR HG1 H -4.424 2.105 -2.665 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2y 1
. 11 . 1977 . 1 1 8 THR HG21 H -2.832 0.931 0.379 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2y 1
. 11 . 1978 . 1 1 8 THR HG22 H -2.273 2.549 -0.041 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2y 1
. 11 . 1979 . 1 1 8 THR HG23 H -1.240 1.153 -0.342 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2y 1
. 11 . 1980 . 1 1 8 THR N N -0.627 1.330 -2.815 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2y 1
. 11 . 1981 . 1 1 8 THR O O -0.772 3.937 -2.143 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2y 1
. 11 . 1982 . 1 1 8 THR OG1 O -4.144 2.000 -1.753 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2y 1
. 11 . 1983 . 1 1 9 DBU C C -3.343 6.253 -1.616 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2y 1
. 11 . 1984 . 1 1 9 DBU CA C -2.911 5.646 -2.892 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2y 1
. 11 . 1985 . 1 1 9 DBU CB C -2.583 6.399 -3.929 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2y 1
. 11 . 1986 . 1 1 9 DBU CG C -2.121 5.797 -5.264 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2y 1
. 11 . 1987 . 1 1 9 DBU HG1 H -2.974 5.407 -5.799 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2y 1
. 11 . 1988 . 1 1 9 DBU HG2 H -1.421 4.992 -5.069 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2y 1
. 11 . 1989 . 1 1 9 DBU HG3 H -1.637 6.559 -5.856 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2y 1
. 11 . 1990 . 1 1 9 DBU N N -2.868 4.185 -2.907 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2y 1
. 11 . 1991 . 1 1 10 CYS C C -4.694 5.618 1.606 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . rr_2l2y 1
. 11 . 1992 . 1 1 10 CYS CA C -3.866 6.400 0.611 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . rr_2l2y 1
. 11 . 1993 . 1 1 10 CYS CB C -4.668 7.557 0.026 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . rr_2l2y 1
. 11 . 1994 . 1 1 10 CYS HA H -3.000 6.808 1.117 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . rr_2l2y 1
. 11 . 1995 . 1 1 10 CYS HB2 H -5.698 7.255 -0.141 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB2 . . . . . . . . . rr_2l2y 1
. 11 . 1996 . 1 1 10 CYS HB3 H -4.619 8.420 0.665 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . rr_2l2y 1
. 11 . 1997 . 1 1 10 CYS N N -3.401 5.576 -0.506 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . rr_2l2y 1
. 11 . 1998 . 1 1 10 CYS O O -5.504 6.225 2.307 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . rr_2l2y 1
. 11 . 1999 . 1 1 10 CYS SG S -3.831 7.913 -1.526 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . rr_2l2y 1
. 11 . 2000 . 1 1 11 . C C -4.102 2.876 3.597 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2y 1
. 11 . 2001 . 1 1 11 . CA C -5.157 3.468 2.663 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2y 1
. 11 . 2002 . 1 1 11 . CB C -5.997 2.337 1.975 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2y 1
. 11 . 2003 . 1 1 11 . CD1 C -7.713 2.047 0.027 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2y 1
. 11 . 2004 . 1 1 11 . CG1 C -6.877 3.007 0.864 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2y 1
. 11 . 2005 . 1 1 11 . CG2 C -6.856 1.634 2.978 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2y 1
. 11 . 2006 . 1 1 11 . H H -3.892 3.884 1.021 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2y 1
. 11 . 2007 . 1 1 11 . HA H -5.819 4.099 3.236 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2y 1
. 11 . 2008 . 1 1 11 . HD11 H -7.073 1.286 -0.394 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2y 1
. 11 . 2009 . 1 1 11 . HD12 H -8.194 2.593 -0.772 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2y 1
. 11 . 2010 . 1 1 11 . HD13 H -8.463 1.584 0.650 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2y 1
. 11 . 2011 . 1 1 11 . HD2 H -8.624 3.882 1.148 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2y 1
. 11 . 2012 . 1 1 11 . HG1 H -6.242 3.565 0.195 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2y 1
. 11 . 2013 . 1 1 11 . HG21 H -7.425 0.858 2.485 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2y 1
. 11 . 2014 . 1 1 11 . HG22 H -7.532 2.342 3.433 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2y 1
. 11 . 2015 . 1 1 11 . HG23 H -6.233 1.190 3.741 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2y 1
. 11 . 2016 . 1 1 11 . HG3 H -4.221 1.755 1.394 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2y 1
. 11 . 2017 . 1 1 11 . N N -4.497 4.303 1.666 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2y 1
. 11 . 2018 . 1 1 11 . OD2 O -7.748 3.922 1.540 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2y 1
. 11 . 2019 . 1 1 11 . OG3 O -5.115 1.409 1.368 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2y 1
. 11 . 2020 . 1 1 12 . C C -0.905 1.374 4.126 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2y 1
. 11 . 2021 . 1 1 12 . CA C -2.230 1.952 4.264 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2y 1
. 11 . 2022 . 1 1 12 . CB C -2.878 2.086 5.532 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2y 1
. 11 . 2023 . 1 1 12 . HB H -2.469 1.784 6.484 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2y 1
. 11 . 2024 . 1 1 12 . N N -2.955 2.408 3.220 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2y 1
. 11 . 2025 . 1 1 12 . O O -0.223 0.969 5.068 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2y 1
. 11 . 2026 . 1 1 12 . SG S -4.387 2.795 5.290 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2y 1
. 11 . 2027 . 1 1 13 THR C C 1.425 1.524 1.334 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2y 1
. 11 . 2028 . 1 1 13 THR CA C 0.819 0.760 2.510 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2y 1
. 11 . 2029 . 1 1 13 THR CB C 0.736 -0.748 2.195 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2y 1
. 11 . 2030 . 1 1 13 THR CG2 C 0.534 -1.566 3.459 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2y 1
. 11 . 2031 . 1 1 13 THR H H -1.081 1.635 2.148 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2y 1
. 11 . 2032 . 1 1 13 THR HA H 1.461 0.879 3.370 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2y 1
. 11 . 2033 . 1 1 13 THR HB H 1.650 -1.066 1.714 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2y 1
. 11 . 2034 . 1 1 13 THR HG21 H 1.294 -1.305 4.181 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2y 1
. 11 . 2035 . 1 1 13 THR HG22 H 0.609 -2.617 3.221 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2y 1
. 11 . 2036 . 1 1 13 THR HG23 H -0.442 -1.358 3.870 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2y 1
. 11 . 2037 . 1 1 13 THR N N -0.492 1.308 2.860 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2y 1
. 11 . 2038 . 1 1 13 THR OG1 O -0.433 -1.033 1.324 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2y 1
. 11 . 2039 . 1 1 14 . C C 4.138 1.965 -1.000 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2y 1
. 11 . 2040 . 1 1 14 . CA C 2.846 2.107 -0.236 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2y 1
. 11 . 2041 . 1 1 14 . CB C 1.827 3.083 -0.475 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2y 1
. 11 . 2042 . 1 1 14 . HB H 1.852 3.844 -1.240 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2y 1
. 11 . 2043 . 1 1 14 . N N 2.571 1.261 0.785 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2y 1
. 11 . 2044 . 1 1 14 . SG S 0.582 2.847 0.633 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2y 1
. 11 . 2045 . 1 1 15 . C C 7.333 1.805 0.903 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2y 1
. 11 . 2046 . 1 1 15 . CA C 6.345 1.602 -0.180 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2y 1
. 11 . 2047 . 1 1 15 . CB C 6.796 0.838 -1.356 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2y 1
. 11 . 2048 . 1 1 15 . HB2 H 7.056 -0.162 -1.046 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2y 1
. 11 . 2049 . 1 1 15 . HB3 H 7.672 1.311 -1.778 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2y 1
. 11 . 2050 . 1 1 15 . N N 5.182 2.116 0.024 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2y 1
. 11 . 2051 . 1 1 16 . C C 10.626 1.328 2.183 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2y 1
. 11 . 2052 . 1 1 16 . CA C 9.239 1.692 1.971 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2y 1
. 11 . 2053 . 1 1 16 . CB C 8.484 2.432 2.937 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2y 1
. 11 . 2054 . 1 1 16 . HB H 8.850 2.783 3.890 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2y 1
. 11 . 2055 . 1 1 16 . N N 8.548 1.369 0.854 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2y 1
. 11 . 2056 . 1 1 16 . O O 11.271 1.612 3.192 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2y 1
. 11 . 2057 . 1 1 16 . SG S 6.924 2.660 2.338 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2y 1
. 11 . 2058 . 1 1 17 DHA C C 12.762 -0.556 -0.218 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2y 1
. 11 . 2059 . 1 1 17 DHA CA C 12.520 0.147 1.032 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2y 1
. 11 . 2060 . 1 1 17 DHA CB C 13.484 0.293 1.931 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2y 1
. 11 . 2061 . 1 1 17 DHA H H 10.527 0.460 0.410 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2y 1
. 11 . 2062 . 1 1 17 DHA HB1 H 14.466 -0.113 1.740 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2y 1
. 11 . 2063 . 1 1 17 DHA HB2 H 13.291 0.817 2.853 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2y 1
. 11 . 2064 . 1 1 17 DHA N N 11.136 0.646 1.154 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2y 1
. 11 . 2065 . 1 1 17 DHA O O 11.821 -0.654 -1.007 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2y 1
. 11 . 2066 . 1 1 18 NH2 HN1 H 14.123 -1.535 -1.310 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . rr_2l2y 1
. 11 . 2067 . 1 1 18 NH2 HN2 H 14.678 -0.956 0.196 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . rr_2l2y 1
. 11 . 2068 . 1 1 18 NH2 N N 13.965 -1.063 -0.467 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . rr_2l2y 1
. 12 . 2069 . 1 1 1 QUA C10 C -3.639 -2.417 -2.082 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2y 1
. 12 . 2070 . 1 1 1 QUA C11 C -0.141 -1.348 0.068 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2y 1
. 12 . 2071 . 1 1 1 QUA C13 C -2.281 -2.829 -4.195 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2y 1
. 12 . 2072 . 1 1 1 QUA C14 C -2.339 -4.350 -4.314 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2y 1
. 12 . 2073 . 1 1 1 QUA C2 C -1.392 -1.721 -0.668 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2y 1
. 12 . 2074 . 1 1 1 QUA C3 C -1.258 -2.074 -2.005 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2y 1
. 12 . 2075 . 1 1 1 QUA C4 C -2.398 -2.428 -2.729 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2y 1
. 12 . 2076 . 1 1 1 QUA C5 C -4.898 -2.762 -2.769 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2y 1
. 12 . 2077 . 1 1 1 QUA C6 C -5.958 -3.088 -2.106 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2y 1
. 12 . 2078 . 1 1 1 QUA C7 C -5.950 -3.145 -0.581 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2y 1
. 12 . 2079 . 1 1 1 QUA C8 C -5.011 -2.051 -0.003 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2y 1
. 12 . 2080 . 1 1 1 QUA C9 C -3.678 -2.055 -0.744 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2y 1
. 12 . 2081 . 1 1 1 QUA H13 H -3.105 -2.413 -4.753 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2y 1
. 12 . 2082 . 1 1 1 QUA H141 H -1.399 -4.772 -3.995 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2y 1
. 12 . 2083 . 1 1 1 QUA H142 H -2.527 -4.625 -5.342 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2y 1
. 12 . 2084 . 1 1 1 QUA H143 H -3.136 -4.733 -3.687 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2y 1
. 12 . 2085 . 1 1 1 QUA H15 H -1.179 -1.461 -5.095 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2y 1
. 12 . 2086 . 1 1 1 QUA H16 H -6.595 -0.874 0.005 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2y 1
. 12 . 2087 . 1 1 1 QUA HC3 H -0.287 -2.072 -2.478 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2y 1
. 12 . 2088 . 1 1 1 QUA HC5 H -4.945 -2.736 -3.844 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2y 1
. 12 . 2089 . 1 1 1 QUA HC6 H -6.860 -3.329 -2.644 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2y 1
. 12 . 2090 . 1 1 1 QUA HC71 H -6.948 -3.011 -0.196 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2y 1
. 12 . 2091 . 1 1 1 QUA HC8 H -4.841 -2.266 1.042 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2y 1
. 12 . 2092 . 1 1 1 QUA N1 N -2.586 -1.706 -0.010 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2y 1
. 12 . 2093 . 1 1 1 QUA O12 O 0.972 -1.348 -0.456 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2y 1
. 12 . 2094 . 1 1 1 QUA O15 O -1.055 -2.354 -4.767 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2y 1
. 12 . 2095 . 1 1 1 QUA O16 O -5.648 -0.771 -0.107 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2y 1
. 12 . 2096 . 1 1 2 ILE C C -4.424 -4.976 1.953 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2y 1
. 12 . 2097 . 1 1 2 ILE CA C -5.722 -4.931 1.153 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2y 1
. 12 . 2098 . 1 1 2 ILE CB C -6.410 -6.318 1.211 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2y 1
. 12 . 2099 . 1 1 2 ILE CD1 C -5.202 -7.195 -0.909 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2y 1
. 12 . 2100 . 1 1 2 ILE CG1 C -5.544 -7.420 0.557 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2y 1
. 12 . 2101 . 1 1 2 ILE CG2 C -7.783 -6.253 0.557 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2y 1
. 12 . 2102 . 1 1 2 ILE H H -4.507 -4.573 -0.434 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2y 1
. 12 . 2103 . 1 1 2 ILE HA H -6.384 -4.204 1.603 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2y 1
. 12 . 2104 . 1 1 2 ILE HB H -6.559 -6.566 2.252 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2y 1
. 12 . 2105 . 1 1 2 ILE HD11 H -6.077 -6.851 -1.439 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2y 1
. 12 . 2106 . 1 1 2 ILE HD12 H -4.864 -8.124 -1.344 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2y 1
. 12 . 2107 . 1 1 2 ILE HD13 H -4.416 -6.455 -0.993 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2y 1
. 12 . 2108 . 1 1 2 ILE HG12 H -4.615 -7.504 1.098 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2y 1
. 12 . 2109 . 1 1 2 ILE HG13 H -6.074 -8.361 0.629 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2y 1
. 12 . 2110 . 1 1 2 ILE HG21 H -7.689 -5.850 -0.441 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2y 1
. 12 . 2111 . 1 1 2 ILE HG22 H -8.431 -5.616 1.141 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2y 1
. 12 . 2112 . 1 1 2 ILE HG23 H -8.205 -7.246 0.507 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2y 1
. 12 . 2113 . 1 1 2 ILE N N -5.468 -4.515 -0.249 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2y 1
. 12 . 2114 . 1 1 2 ILE O O -4.395 -4.629 3.134 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2y 1
. 12 . 2115 . 1 1 3 ALA C C -0.957 -5.769 0.886 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2y 1
. 12 . 2116 . 1 1 3 ALA CA C -2.042 -5.511 1.926 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2y 1
. 12 . 2117 . 1 1 3 ALA CB C -2.043 -6.621 2.969 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2y 1
. 12 . 2118 . 1 1 3 ALA H H -3.444 -5.657 0.350 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2y 1
. 12 . 2119 . 1 1 3 ALA HA H -1.835 -4.576 2.426 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2y 1
. 12 . 2120 . 1 1 3 ALA HB1 H -1.063 -6.695 3.416 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2y 1
. 12 . 2121 . 1 1 3 ALA HB2 H -2.295 -7.559 2.497 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2y 1
. 12 . 2122 . 1 1 3 ALA HB3 H -2.772 -6.396 3.734 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2y 1
. 12 . 2123 . 1 1 3 ALA N N -3.351 -5.405 1.292 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2y 1
. 12 . 2124 . 1 1 3 ALA O O -0.984 -6.785 0.190 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2y 1
. 12 . 2125 . 1 1 4 DHA C C 2.165 -3.929 0.287 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2y 1
. 12 . 2126 . 1 1 4 DHA CA C 1.140 -4.859 -0.122 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2y 1
. 12 . 2127 . 1 1 4 DHA CB C 1.278 -5.621 -1.195 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2y 1
. 12 . 2128 . 1 1 4 DHA H H -0.059 -4.083 1.412 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2y 1
. 12 . 2129 . 1 1 4 DHA HB1 H 0.500 -6.316 -1.470 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2y 1
. 12 . 2130 . 1 1 4 DHA HB2 H 2.174 -5.553 -1.792 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2y 1
. 12 . 2131 . 1 1 4 DHA N N -0.002 -4.844 0.795 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2y 1
. 12 . 2132 . 1 1 4 DHA O O 1.955 -3.287 1.312 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2y 1
. 12 . 2133 . 1 1 5 ALA C C 4.481 -1.785 -1.160 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2y 1
. 12 . 2134 . 1 1 5 ALA CA C 4.286 -2.830 -0.072 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2y 1
. 12 . 2135 . 1 1 5 ALA CB C 5.573 -3.573 0.216 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2y 1
. 12 . 2136 . 1 1 5 ALA H H 3.364 -4.315 -1.259 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2y 1
. 12 . 2137 . 1 1 5 ALA HA H 3.974 -2.333 0.835 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2y 1
. 12 . 2138 . 1 1 5 ALA HB1 H 5.940 -4.024 -0.693 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2y 1
. 12 . 2139 . 1 1 5 ALA HB2 H 5.377 -4.345 0.947 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2y 1
. 12 . 2140 . 1 1 5 ALA HB3 H 6.308 -2.885 0.603 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2y 1
. 12 . 2141 . 1 1 5 ALA N N 3.251 -3.778 -0.446 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2y 1
. 12 . 2142 . 1 1 5 ALA O O 4.850 -2.114 -2.288 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2y 1
. 12 . 2143 . 1 1 6 SER C C 3.233 0.456 -2.824 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2y 1
. 12 . 2144 . 1 1 6 SER CA C 4.286 0.592 -1.823 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2y 1
. 12 . 2145 . 1 1 6 SER CB C 5.706 0.681 -2.453 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2y 1
. 12 . 2146 . 1 1 6 SER H H 3.983 -0.321 0.117 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2y 1
. 12 . 2147 . 1 1 6 SER HB2 H 5.887 -0.186 -3.071 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2y 1
. 12 . 2148 . 1 1 6 SER HB3 H 5.778 1.574 -3.058 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2y 1
. 12 . 2149 . 1 1 6 SER N N 4.220 -0.521 -0.813 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2y 1
. 12 . 2150 . 1 1 7 . C C -0.145 0.841 -3.933 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2y 1
. 12 . 2151 . 1 1 7 . CA C 1.269 0.543 -3.812 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2y 1
. 12 . 2152 . 1 1 7 . CB C 2.018 -0.050 -4.871 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2y 1
. 12 . 2153 . 1 1 7 . HB H 1.629 -0.334 -5.838 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2y 1
. 12 . 2154 . 1 1 7 . N N 1.990 0.804 -2.700 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2y 1
. 12 . 2155 . 1 1 7 . O O -0.813 0.643 -4.948 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2y 1
. 12 . 2156 . 1 1 7 . SG S 3.610 -0.235 -4.359 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2y 1
. 12 . 2157 . 1 1 8 THR C C -1.910 3.443 -2.637 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2y 1
. 12 . 2158 . 1 1 8 THR CA C -2.000 1.931 -2.793 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2y 1
. 12 . 2159 . 1 1 8 THR CB C -2.882 1.349 -1.669 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2y 1
. 12 . 2160 . 1 1 8 THR CG2 C -2.246 1.548 -0.300 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2y 1
. 12 . 2161 . 1 1 8 THR H H -0.148 1.306 -1.982 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2y 1
. 12 . 2162 . 1 1 8 THR HA H -2.474 1.712 -3.740 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2y 1
. 12 . 2163 . 1 1 8 THR HB H -2.998 0.291 -1.843 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2y 1
. 12 . 2164 . 1 1 8 THR HG1 H -4.304 2.466 -0.881 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2y 1
. 12 . 2165 . 1 1 8 THR HG21 H -2.823 1.019 0.444 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2y 1
. 12 . 2166 . 1 1 8 THR HG22 H -2.229 2.600 -0.059 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2y 1
. 12 . 2167 . 1 1 8 THR HG23 H -1.239 1.165 -0.314 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2y 1
. 12 . 2168 . 1 1 8 THR N N -0.667 1.341 -2.813 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2y 1
. 12 . 2169 . 1 1 8 THR O O -0.846 3.984 -2.334 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2y 1
. 12 . 2170 . 1 1 8 THR OG1 O -4.175 1.964 -1.689 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2y 1
. 12 . 2171 . 1 1 9 DBU C C -3.542 6.212 -1.607 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2y 1
. 12 . 2172 . 1 1 9 DBU CA C -3.139 5.574 -2.880 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2y 1
. 12 . 2173 . 1 1 9 DBU CB C -2.898 6.299 -3.959 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2y 1
. 12 . 2174 . 1 1 9 DBU CG C -2.472 5.664 -5.290 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2y 1
. 12 . 2175 . 1 1 9 DBU HG1 H -1.713 4.913 -5.100 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2y 1
. 12 . 2176 . 1 1 9 DBU HG2 H -2.071 6.425 -5.942 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2y 1
. 12 . 2177 . 1 1 9 DBU HG3 H -3.328 5.201 -5.758 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2y 1
. 12 . 2178 . 1 1 9 DBU N N -3.029 4.117 -2.843 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2y 1
. 12 . 2179 . 1 1 10 CYS C C -4.744 5.643 1.682 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . rr_2l2y 1
. 12 . 2180 . 1 1 10 CYS CA C -3.981 6.418 0.632 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . rr_2l2y 1
. 12 . 2181 . 1 1 10 CYS CB C -4.845 7.528 0.042 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . rr_2l2y 1
. 12 . 2182 . 1 1 10 CYS HA H -3.111 6.870 1.091 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . rr_2l2y 1
. 12 . 2183 . 1 1 10 CYS HB2 H -5.870 7.188 -0.074 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB2 . . . . . . . . . rr_2l2y 1
. 12 . 2184 . 1 1 10 CYS HB3 H -4.798 8.414 0.649 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . rr_2l2y 1
. 12 . 2185 . 1 1 10 CYS N N -3.532 5.571 -0.474 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . rr_2l2y 1
. 12 . 2186 . 1 1 10 CYS O O -5.536 6.248 2.408 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . rr_2l2y 1
. 12 . 2187 . 1 1 10 CYS SG S -4.081 7.857 -1.554 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . rr_2l2y 1
. 12 . 2188 . 1 1 11 . C C -4.025 2.963 3.715 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2y 1
. 12 . 2189 . 1 1 11 . CA C -5.122 3.503 2.797 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2y 1
. 12 . 2190 . 1 1 11 . CB C -5.948 2.333 2.157 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2y 1
. 12 . 2191 . 1 1 11 . CD1 C -7.715 1.963 0.270 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2y 1
. 12 . 2192 . 1 1 11 . CG1 C -6.933 2.962 1.111 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2y 1
. 12 . 2193 . 1 1 11 . CG2 C -6.702 1.581 3.208 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2y 1
. 12 . 2194 . 1 1 11 . H H -3.919 3.916 1.109 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2y 1
. 12 . 2195 . 1 1 11 . HA H -5.787 4.128 3.375 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2y 1
. 12 . 2196 . 1 1 11 . HD11 H -8.347 1.368 0.911 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2y 1
. 12 . 2197 . 1 1 11 . HD12 H -7.027 1.318 -0.256 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2y 1
. 12 . 2198 . 1 1 11 . HD13 H -8.326 2.494 -0.444 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2y 1
. 12 . 2199 . 1 1 11 . HD2 H -8.484 3.208 2.307 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2y 1
. 12 . 2200 . 1 1 11 . HG1 H -6.378 3.600 0.439 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2y 1
. 12 . 2201 . 1 1 11 . HG21 H -7.302 0.813 2.744 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2y 1
. 12 . 2202 . 1 1 11 . HG22 H -7.343 2.262 3.749 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2y 1
. 12 . 2203 . 1 1 11 . HG23 H -6.005 1.123 3.895 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2y 1
. 12 . 2204 . 1 1 11 . HG3 H -5.124 0.579 1.878 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2y 1
. 12 . 2205 . 1 1 11 . N N -4.515 4.335 1.764 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2y 1
. 12 . 2206 . 1 1 11 . OD2 O -7.849 3.773 1.859 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2y 1
. 12 . 2207 . 1 1 11 . OG3 O -5.064 1.454 1.487 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2y 1
. 12 . 2208 . 1 1 12 . C C -0.812 1.479 4.192 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2y 1
. 12 . 2209 . 1 1 12 . CA C -2.127 2.072 4.352 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2y 1
. 12 . 2210 . 1 1 12 . CB C -2.716 2.287 5.638 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2y 1
. 12 . 2211 . 1 1 12 . HB H -2.263 2.042 6.588 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2y 1
. 12 . 2212 . 1 1 12 . N N -2.899 2.466 3.314 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2y 1
. 12 . 2213 . 1 1 12 . O O -0.091 1.127 5.126 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2y 1
. 12 . 2214 . 1 1 12 . SG S -4.233 2.987 5.422 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2y 1
. 12 . 2215 . 1 1 13 THR C C 1.447 1.522 1.356 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2y 1
. 12 . 2216 . 1 1 13 THR CA C 0.847 0.773 2.545 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2y 1
. 12 . 2217 . 1 1 13 THR CB C 0.741 -0.736 2.240 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2y 1
. 12 . 2218 . 1 1 13 THR CG2 C 0.477 -1.539 3.500 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2y 1
. 12 . 2219 . 1 1 13 THR H H -1.068 1.623 2.209 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2y 1
. 12 . 2220 . 1 1 13 THR HA H 1.504 0.888 3.394 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2y 1
. 12 . 2221 . 1 1 13 THR HB H 1.666 -1.078 1.795 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2y 1
. 12 . 2222 . 1 1 13 THR HG21 H -0.494 -1.278 3.896 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2y 1
. 12 . 2223 . 1 1 13 THR HG22 H 1.237 -1.316 4.234 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2y 1
. 12 . 2224 . 1 1 13 THR HG23 H 0.499 -2.593 3.267 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2y 1
. 12 . 2225 . 1 1 13 THR N N -0.450 1.340 2.915 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2y 1
. 12 . 2226 . 1 1 13 THR OG1 O -0.401 -1.004 1.329 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2y 1
. 12 . 2227 . 1 1 14 . C C 4.146 1.918 -0.992 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2y 1
. 12 . 2228 . 1 1 14 . CA C 2.859 2.077 -0.227 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2y 1
. 12 . 2229 . 1 1 14 . CB C 1.845 3.055 -0.475 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2y 1
. 12 . 2230 . 1 1 14 . HB H 1.870 3.806 -1.250 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2y 1
. 12 . 2231 . 1 1 14 . N N 2.587 1.248 0.805 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2y 1
. 12 . 2232 . 1 1 14 . SG S 0.605 2.839 0.643 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2y 1
. 12 . 2233 . 1 1 15 . C C 7.323 1.637 0.918 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2y 1
. 12 . 2234 . 1 1 15 . CA C 6.337 1.485 -0.172 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2y 1
. 12 . 2235 . 1 1 15 . CB C 6.775 0.735 -1.363 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2y 1
. 12 . 2236 . 1 1 15 . HB2 H 7.017 -0.274 -1.071 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2y 1
. 12 . 2237 . 1 1 15 . HB3 H 7.658 1.202 -1.777 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2y 1
. 12 . 2238 . 1 1 15 . N N 5.188 2.023 0.039 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2y 1
. 12 . 2239 . 1 1 16 . C C 10.592 1.029 2.190 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2y 1
. 12 . 2240 . 1 1 16 . CA C 9.218 1.442 1.989 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2y 1
. 12 . 2241 . 1 1 16 . CB C 8.482 2.179 2.970 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2y 1
. 12 . 2242 . 1 1 16 . HB H 8.855 2.494 3.933 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2y 1
. 12 . 2243 . 1 1 16 . N N 8.523 1.167 0.863 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2y 1
. 12 . 2244 . 1 1 16 . O O 11.244 1.254 3.210 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2y 1
. 12 . 2245 . 1 1 16 . SG S 6.933 2.469 2.371 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2y 1
. 12 . 2246 . 1 1 17 DHA C C 12.731 -0.656 -0.340 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2y 1
. 12 . 2247 . 1 1 17 DHA CA C 12.439 -0.185 1.004 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2y 1
. 12 . 2248 . 1 1 17 DHA CB C 13.337 -0.278 1.973 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2y 1
. 12 . 2249 . 1 1 17 DHA H H 10.487 0.290 0.361 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2y 1
. 12 . 2250 . 1 1 17 DHA HB1 H 14.305 -0.711 1.771 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2y 1
. 12 . 2251 . 1 1 17 DHA HB2 H 13.104 0.078 2.964 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2y 1
. 12 . 2252 . 1 1 17 DHA N N 11.085 0.383 1.132 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2y 1
. 12 . 2253 . 1 1 17 DHA O O 11.848 -0.533 -1.189 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2y 1
. 12 . 2254 . 1 1 18 NH2 HN1 H 14.108 -1.509 -1.514 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . rr_2l2y 1
. 12 . 2255 . 1 1 18 NH2 HN2 H 14.583 -1.268 0.108 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . rr_2l2y 1
. 12 . 2256 . 1 1 18 NH2 N N 13.916 -1.194 -0.606 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . rr_2l2y 1
. 13 . 2257 . 1 1 1 QUA C10 C -3.703 -2.388 -2.002 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2y 1
. 13 . 2258 . 1 1 1 QUA C11 C -0.164 -1.327 0.084 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2y 1
. 13 . 2259 . 1 1 1 QUA C13 C -2.403 -2.674 -4.173 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2y 1
. 13 . 2260 . 1 1 1 QUA C14 C -2.414 -4.189 -4.357 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2y 1
. 13 . 2261 . 1 1 1 QUA C2 C -1.429 -1.701 -0.627 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2y 1
. 13 . 2262 . 1 1 1 QUA C3 C -1.330 -1.992 -1.983 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2y 1
. 13 . 2263 . 1 1 1 QUA C4 C -2.484 -2.340 -2.687 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2y 1
. 13 . 2264 . 1 1 1 QUA C5 C -4.976 -2.730 -2.665 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2y 1
. 13 . 2265 . 1 1 1 QUA C6 C -6.009 -3.106 -1.988 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2y 1
. 13 . 2266 . 1 1 1 QUA C7 C -5.956 -3.228 -0.467 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2y 1
. 13 . 2267 . 1 1 1 QUA C8 C -5.018 -2.145 0.133 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2y 1
. 13 . 2268 . 1 1 1 QUA C9 C -3.708 -2.085 -0.649 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2y 1
. 13 . 2269 . 1 1 1 QUA H13 H -3.258 -2.263 -4.684 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2y 1
. 13 . 2270 . 1 1 1 QUA H141 H -3.213 -4.620 -3.764 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2y 1
. 13 . 2271 . 1 1 1 QUA H142 H -1.468 -4.597 -4.034 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2y 1
. 13 . 2272 . 1 1 1 QUA H143 H -2.572 -4.423 -5.398 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2y 1
. 13 . 2273 . 1 1 1 QUA H15 H -0.443 -2.494 -4.314 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2y 1
. 13 . 2274 . 1 1 1 QUA H16 H -5.934 -0.634 1.010 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2y 1
. 13 . 2275 . 1 1 1 QUA HC3 H -0.374 -1.946 -2.485 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2y 1
. 13 . 2276 . 1 1 1 QUA HC5 H -5.056 -2.660 -3.737 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2y 1
. 13 . 2277 . 1 1 1 QUA HC6 H -6.922 -3.343 -2.510 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2y 1
. 13 . 2278 . 1 1 1 QUA HC71 H -6.946 -3.127 -0.050 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2y 1
. 13 . 2279 . 1 1 1 QUA HC8 H -4.811 -2.410 1.159 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2y 1
. 13 . 2280 . 1 1 1 QUA N1 N -2.601 -1.741 0.066 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2y 1
. 13 . 2281 . 1 1 1 QUA O12 O 0.937 -1.304 -0.467 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2y 1
. 13 . 2282 . 1 1 1 QUA O15 O -1.213 -2.134 -4.761 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2y 1
. 13 . 2283 . 1 1 1 QUA O16 O -5.681 -0.875 0.115 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2y 1
. 13 . 2284 . 1 1 2 ILE C C -4.445 -5.191 1.975 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2y 1
. 13 . 2285 . 1 1 2 ILE CA C -5.725 -5.118 1.150 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2y 1
. 13 . 2286 . 1 1 2 ILE CB C -6.386 -6.519 1.094 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2y 1
. 13 . 2287 . 1 1 2 ILE CD1 C -5.130 -7.230 -1.061 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2y 1
. 13 . 2288 . 1 1 2 ILE CG1 C -5.487 -7.558 0.384 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2y 1
. 13 . 2289 . 1 1 2 ILE CG2 C -7.746 -6.432 0.416 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2y 1
. 13 . 2290 . 1 1 2 ILE H H -4.478 -4.623 -0.373 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2y 1
. 13 . 2291 . 1 1 2 ILE HA H -6.412 -4.436 1.632 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2y 1
. 13 . 2292 . 1 1 2 ILE HB H -6.550 -6.843 2.111 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2y 1
. 13 . 2293 . 1 1 2 ILE HD11 H -4.358 -6.474 -1.083 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2y 1
. 13 . 2294 . 1 1 2 ILE HD12 H -6.003 -6.865 -1.578 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2y 1
. 13 . 2295 . 1 1 2 ILE HD13 H -4.771 -8.123 -1.552 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2y 1
. 13 . 2296 . 1 1 2 ILE HG12 H -4.563 -7.658 0.931 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2y 1
. 13 . 2297 . 1 1 2 ILE HG13 H -5.995 -8.512 0.386 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2y 1
. 13 . 2298 . 1 1 2 ILE HG21 H -7.646 -5.925 -0.532 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2y 1
. 13 . 2299 . 1 1 2 ILE HG22 H -8.429 -5.882 1.047 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2y 1
. 13 . 2300 . 1 1 2 ILE HG23 H -8.131 -7.428 0.252 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2y 1
. 13 . 2301 . 1 1 2 ILE N N -5.444 -4.603 -0.212 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2y 1
. 13 . 2302 . 1 1 2 ILE O O -4.443 -4.903 3.172 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2y 1
. 13 . 2303 . 1 1 3 ALA C C -0.951 -5.868 0.916 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2y 1
. 13 . 2304 . 1 1 3 ALA CA C -2.049 -5.670 1.956 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2y 1
. 13 . 2305 . 1 1 3 ALA CB C -2.030 -6.810 2.965 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2y 1
. 13 . 2306 . 1 1 3 ALA H H -3.433 -5.802 0.363 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2y 1
. 13 . 2307 . 1 1 3 ALA HA H -1.869 -4.746 2.486 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2y 1
. 13 . 2308 . 1 1 3 ALA HB1 H -2.272 -7.736 2.467 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2y 1
. 13 . 2309 . 1 1 3 ALA HB2 H -2.757 -6.619 3.742 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2y 1
. 13 . 2310 . 1 1 3 ALA HB3 H -1.047 -6.884 3.406 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2y 1
. 13 . 2311 . 1 1 3 ALA N N -3.355 -5.575 1.314 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2y 1
. 13 . 2312 . 1 1 3 ALA O O -0.903 -6.899 0.245 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2y 1
. 13 . 2313 . 1 1 4 DHA C C 2.082 -3.905 0.312 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2y 1
. 13 . 2314 . 1 1 4 DHA CA C 1.063 -4.829 -0.127 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2y 1
. 13 . 2315 . 1 1 4 DHA CB C 1.197 -5.540 -1.235 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2y 1
. 13 . 2316 . 1 1 4 DHA H H -0.173 -4.112 1.407 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2y 1
. 13 . 2317 . 1 1 4 DHA HB1 H 0.425 -6.232 -1.529 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2y 1
. 13 . 2318 . 1 1 4 DHA HB2 H 2.085 -5.435 -1.840 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2y 1
. 13 . 2319 . 1 1 4 DHA N N -0.068 -4.876 0.799 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2y 1
. 13 . 2320 . 1 1 4 DHA O O 1.876 -3.312 1.369 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2y 1
. 13 . 2321 . 1 1 5 ALA C C 4.445 -1.741 -1.107 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2y 1
. 13 . 2322 . 1 1 5 ALA CA C 4.191 -2.769 -0.014 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2y 1
. 13 . 2323 . 1 1 5 ALA CB C 5.458 -3.522 0.339 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2y 1
. 13 . 2324 . 1 1 5 ALA H H 3.275 -4.213 -1.256 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2y 1
. 13 . 2325 . 1 1 5 ALA HA H 3.846 -2.256 0.872 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2y 1
. 13 . 2326 . 1 1 5 ALA HB1 H 5.850 -4.001 -0.544 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2y 1
. 13 . 2327 . 1 1 5 ALA HB2 H 5.226 -4.272 1.082 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2y 1
. 13 . 2328 . 1 1 5 ALA HB3 H 6.189 -2.834 0.736 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2y 1
. 13 . 2329 . 1 1 5 ALA N N 3.163 -3.711 -0.422 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2y 1
. 13 . 2330 . 1 1 5 ALA O O 4.840 -2.093 -2.219 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2y 1
. 13 . 2331 . 1 1 6 SER C C 3.259 0.471 -2.830 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2y 1
. 13 . 2332 . 1 1 6 SER CA C 4.293 0.625 -1.814 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2y 1
. 13 . 2333 . 1 1 6 SER CB C 5.726 0.699 -2.417 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2y 1
. 13 . 2334 . 1 1 6 SER H H 3.969 -0.247 0.142 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2y 1
. 13 . 2335 . 1 1 6 SER HB2 H 5.918 -0.181 -3.012 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2y 1
. 13 . 2336 . 1 1 6 SER HB3 H 5.813 1.579 -3.038 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2y 1
. 13 . 2337 . 1 1 6 SER N N 4.205 -0.468 -0.784 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2y 1
. 13 . 2338 . 1 1 7 . C C -0.111 0.791 -3.981 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2y 1
. 13 . 2339 . 1 1 7 . CA C 1.307 0.520 -3.843 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2y 1
. 13 . 2340 . 1 1 7 . CB C 2.081 -0.050 -4.894 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2y 1
. 13 . 2341 . 1 1 7 . HB H 1.709 -0.337 -5.868 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2y 1
. 13 . 2342 . 1 1 7 . N N 2.008 0.791 -2.721 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2y 1
. 13 . 2343 . 1 1 7 . O O -0.764 0.573 -5.002 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2y 1
. 13 . 2344 . 1 1 7 . SG S 3.670 -0.204 -4.363 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2y 1
. 13 . 2345 . 1 1 8 THR C C -1.883 3.399 -2.751 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2y 1
. 13 . 2346 . 1 1 8 THR CA C -1.986 1.886 -2.878 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2y 1
. 13 . 2347 . 1 1 8 THR CB C -2.882 1.328 -1.751 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2y 1
. 13 . 2348 . 1 1 8 THR CG2 C -2.273 1.576 -0.378 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2y 1
. 13 . 2349 . 1 1 8 THR H H -0.150 1.258 -2.031 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2y 1
. 13 . 2350 . 1 1 8 THR HA H -2.450 1.651 -3.826 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2y 1
. 13 . 2351 . 1 1 8 THR HB H -2.984 0.265 -1.893 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2y 1
. 13 . 2352 . 1 1 8 THR HG1 H -4.807 1.389 -1.320 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2y 1
. 13 . 2353 . 1 1 8 THR HG21 H -1.269 1.186 -0.357 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2y 1
. 13 . 2354 . 1 1 8 THR HG22 H -2.868 1.079 0.372 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2y 1
. 13 . 2355 . 1 1 8 THR HG23 H -2.254 2.637 -0.177 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2y 1
. 13 . 2356 . 1 1 8 THR N N -0.655 1.292 -2.872 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2y 1
. 13 . 2357 . 1 1 8 THR O O -0.791 3.940 -2.575 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2y 1
. 13 . 2358 . 1 1 8 THR OG1 O -4.182 1.927 -1.813 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2y 1
. 13 . 2359 . 1 1 9 DBU C C -3.412 6.197 -1.606 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2y 1
. 13 . 2360 . 1 1 9 DBU CA C -3.107 5.534 -2.893 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2y 1
. 13 . 2361 . 1 1 9 DBU CB C -2.927 6.236 -3.999 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2y 1
. 13 . 2362 . 1 1 9 DBU CG C -2.599 5.568 -5.343 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2y 1
. 13 . 2363 . 1 1 9 DBU HG1 H -1.847 4.800 -5.186 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2y 1
. 13 . 2364 . 1 1 9 DBU HG2 H -2.219 6.307 -6.031 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2y 1
. 13 . 2365 . 1 1 9 DBU HG3 H -3.492 5.118 -5.750 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2y 1
. 13 . 2366 . 1 1 9 DBU N N -3.013 4.077 -2.840 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2y 1
. 13 . 2367 . 1 1 10 CYS C C -4.490 5.709 1.739 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . rr_2l2y 1
. 13 . 2368 . 1 1 10 CYS CA C -3.720 6.431 0.657 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . rr_2l2y 1
. 13 . 2369 . 1 1 10 CYS CB C -4.528 7.605 0.110 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . rr_2l2y 1
. 13 . 2370 . 1 1 10 CYS HA H -2.801 6.817 1.077 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . rr_2l2y 1
. 13 . 2371 . 1 1 10 CYS HB2 H -5.581 7.347 0.065 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB2 . . . . . . . . . rr_2l2y 1
. 13 . 2372 . 1 1 10 CYS HB3 H -4.372 8.486 0.706 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . rr_2l2y 1
. 13 . 2373 . 1 1 10 CYS N N -3.379 5.561 -0.470 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . rr_2l2y 1
. 13 . 2374 . 1 1 10 CYS O O -5.098 6.376 2.576 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . rr_2l2y 1
. 13 . 2375 . 1 1 10 CYS SG S -3.851 7.870 -1.535 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . rr_2l2y 1
. 13 . 2376 . 1 1 11 . C C -4.030 2.994 3.685 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2y 1
. 13 . 2377 . 1 1 11 . CA C -5.105 3.583 2.771 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2y 1
. 13 . 2378 . 1 1 11 . CB C -5.995 2.454 2.143 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2y 1
. 13 . 2379 . 1 1 11 . CD1 C -7.832 2.185 0.306 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2y 1
. 13 . 2380 . 1 1 11 . CG1 C -6.973 3.138 1.126 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2y 1
. 13 . 2381 . 1 1 11 . CG2 C -6.759 1.727 3.205 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2y 1
. 13 . 2382 . 1 1 11 . H H -4.007 3.917 0.994 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2y 1
. 13 . 2383 . 1 1 11 . HA H -5.734 4.244 3.349 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2y 1
. 13 . 2384 . 1 1 11 . HD11 H -7.197 1.464 -0.188 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2y 1
. 13 . 2385 . 1 1 11 . HD12 H -8.383 2.746 -0.434 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2y 1
. 13 . 2386 . 1 1 11 . HD13 H -8.523 1.672 0.957 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2y 1
. 13 . 2387 . 1 1 11 . HD2 H -8.670 3.561 2.041 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2y 1
. 13 . 2388 . 1 1 11 . HG1 H -6.404 3.747 0.441 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2y 1
. 13 . 2389 . 1 1 11 . HG21 H -6.068 1.245 3.881 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2y 1
. 13 . 2390 . 1 1 11 . HG22 H -7.391 0.980 2.747 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2y 1
. 13 . 2391 . 1 1 11 . HG23 H -7.369 2.427 3.755 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2y 1
. 13 . 2392 . 1 1 11 . HG3 H -4.771 0.928 2.065 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2y 1
. 13 . 2393 . 1 1 11 . N N -4.467 4.378 1.727 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2y 1
. 13 . 2394 . 1 1 11 . OD2 O -7.823 3.993 1.901 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2y 1
. 13 . 2395 . 1 1 11 . OG3 O -5.165 1.545 1.444 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2y 1
. 13 . 2396 . 1 1 12 . C C -0.841 1.459 4.165 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2y 1
. 13 . 2397 . 1 1 12 . CA C -2.153 2.058 4.320 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2y 1
. 13 . 2398 . 1 1 12 . CB C -2.766 2.226 5.602 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2y 1
. 13 . 2399 . 1 1 12 . HB H -2.334 1.938 6.550 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2y 1
. 13 . 2400 . 1 1 12 . N N -2.901 2.502 3.285 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2y 1
. 13 . 2401 . 1 1 12 . O O -0.143 1.066 5.100 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2y 1
. 13 . 2402 . 1 1 12 . SG S -4.270 2.951 5.387 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2y 1
. 13 . 2403 . 1 1 13 THR C C 1.439 1.552 1.335 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2y 1
. 13 . 2404 . 1 1 13 THR CA C 0.849 0.804 2.530 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2y 1
. 13 . 2405 . 1 1 13 THR CB C 0.763 -0.710 2.237 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2y 1
. 13 . 2406 . 1 1 13 THR CG2 C 0.540 -1.508 3.509 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2y 1
. 13 . 2407 . 1 1 13 THR H H -1.060 1.665 2.184 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2y 1
. 13 . 2408 . 1 1 13 THR HA H 1.504 0.935 3.379 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2y 1
. 13 . 2409 . 1 1 13 THR HB H 1.682 -1.040 1.773 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2y 1
. 13 . 2410 . 1 1 13 THR HG21 H 1.299 -1.250 4.233 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2y 1
. 13 . 2411 . 1 1 13 THR HG22 H 0.597 -2.563 3.286 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2y 1
. 13 . 2412 . 1 1 13 THR HG23 H -0.434 -1.277 3.913 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2y 1
. 13 . 2413 . 1 1 13 THR N N -0.456 1.359 2.893 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2y 1
. 13 . 2414 . 1 1 13 THR OG1 O -0.396 -1.002 1.355 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2y 1
. 13 . 2415 . 1 1 14 . C C 4.131 1.968 -1.013 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2y 1
. 13 . 2416 . 1 1 14 . CA C 2.841 2.116 -0.252 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2y 1
. 13 . 2417 . 1 1 14 . CB C 1.810 3.073 -0.511 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2y 1
. 13 . 2418 . 1 1 14 . HB H 1.822 3.816 -1.293 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2y 1
. 13 . 2419 . 1 1 14 . N N 2.583 1.291 0.789 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2y 1
. 13 . 2420 . 1 1 14 . SG S 0.574 2.847 0.609 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2y 1
. 13 . 2421 . 1 1 15 . C C 7.295 1.795 0.934 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2y 1
. 13 . 2422 . 1 1 15 . CA C 6.321 1.580 -0.158 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2y 1
. 13 . 2423 . 1 1 15 . CB C 6.770 0.774 -1.306 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2y 1
. 13 . 2424 . 1 1 15 . HB2 H 6.983 -0.228 -0.968 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2y 1
. 13 . 2425 . 1 1 15 . HB3 H 7.673 1.205 -1.717 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2y 1
. 13 . 2426 . 1 1 15 . N N 5.169 2.125 0.016 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2y 1
. 13 . 2427 . 1 1 16 . C C 10.538 1.254 2.307 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2y 1
. 13 . 2428 . 1 1 16 . CA C 9.172 1.659 2.048 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2y 1
. 13 . 2429 . 1 1 16 . CB C 8.425 2.467 2.963 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2y 1
. 13 . 2430 . 1 1 16 . HB H 8.786 2.846 3.908 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2y 1
. 13 . 2431 . 1 1 16 . N N 8.493 1.313 0.931 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2y 1
. 13 . 2432 . 1 1 16 . O O 11.172 1.558 3.316 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2y 1
. 13 . 2433 . 1 1 16 . SG S 6.890 2.727 2.319 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2y 1
. 13 . 2434 . 1 1 17 DHA C C 12.669 -0.769 0.020 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2y 1
. 13 . 2435 . 1 1 17 DHA CA C 12.392 -0.088 1.274 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2y 1
. 13 . 2436 . 1 1 17 DHA CB C 13.296 -0.041 2.242 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2y 1
. 13 . 2437 . 1 1 17 DHA H H 10.459 0.354 0.548 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2y 1
. 13 . 2438 . 1 1 17 DHA HB1 H 14.259 -0.513 2.104 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2y 1
. 13 . 2439 . 1 1 17 DHA HB2 H 13.077 0.468 3.168 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2y 1
. 13 . 2440 . 1 1 17 DHA N N 11.044 0.510 1.320 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2y 1
. 13 . 2441 . 1 1 17 DHA O O 11.783 -0.771 -0.834 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2y 1
. 13 . 2442 . 1 1 18 NH2 HN1 H 14.031 -1.812 -1.010 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . rr_2l2y 1
. 13 . 2443 . 1 1 18 NH2 HN2 H 14.518 -1.323 0.552 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . rr_2l2y 1
. 13 . 2444 . 1 1 18 NH2 N N 13.847 -1.355 -0.162 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . rr_2l2y 1
. 14 . 2445 . 1 1 1 QUA C10 C -3.802 -2.436 -2.011 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2y 1
. 14 . 2446 . 1 1 1 QUA C11 C -0.231 -1.394 0.027 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2y 1
. 14 . 2447 . 1 1 1 QUA C13 C -2.527 -2.796 -4.185 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2y 1
. 14 . 2448 . 1 1 1 QUA C14 C -2.552 -4.315 -4.332 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2y 1
. 14 . 2449 . 1 1 1 QUA C2 C -1.506 -1.760 -0.669 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2y 1
. 14 . 2450 . 1 1 1 QUA C3 C -1.422 -2.082 -2.020 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2y 1
. 14 . 2451 . 1 1 1 QUA C4 C -2.588 -2.426 -2.706 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2y 1
. 14 . 2452 . 1 1 1 QUA C5 C -5.087 -2.773 -2.653 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2y 1
. 14 . 2453 . 1 1 1 QUA C6 C -6.117 -3.121 -1.956 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2y 1
. 14 . 2454 . 1 1 1 QUA C7 C -6.046 -3.212 -0.434 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2y 1
. 14 . 2455 . 1 1 1 QUA C8 C -5.094 -2.121 0.128 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2y 1
. 14 . 2456 . 1 1 1 QUA C9 C -3.791 -2.101 -0.665 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2y 1
. 14 . 2457 . 1 1 1 QUA H13 H -3.385 -2.390 -4.696 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2y 1
. 14 . 2458 . 1 1 1 QUA H141 H -3.341 -4.726 -3.713 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2y 1
. 14 . 2459 . 1 1 1 QUA H142 H -1.602 -4.722 -4.019 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2y 1
. 14 . 2460 . 1 1 1 QUA H143 H -2.733 -4.573 -5.364 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2y 1
. 14 . 2461 . 1 1 1 QUA H15 H -1.429 -2.322 -5.754 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2y 1
. 14 . 2462 . 1 1 1 QUA H16 H -5.784 -0.544 -0.839 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2y 1
. 14 . 2463 . 1 1 1 QUA HC3 H -0.470 -2.066 -2.529 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2y 1
. 14 . 2464 . 1 1 1 QUA HC5 H -5.177 -2.723 -3.726 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2y 1
. 14 . 2465 . 1 1 1 QUA HC6 H -7.039 -3.357 -2.463 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2y 1
. 14 . 2466 . 1 1 1 QUA HC71 H -7.029 -3.097 -0.006 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2y 1
. 14 . 2467 . 1 1 1 QUA HC8 H -4.883 -2.354 1.161 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2y 1
. 14 . 2468 . 1 1 1 QUA N1 N -2.673 -1.762 0.034 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2y 1
. 14 . 2469 . 1 1 1 QUA O12 O 0.865 -1.389 -0.534 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2y 1
. 14 . 2470 . 1 1 1 QUA O15 O -1.339 -2.278 -4.800 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2y 1
. 14 . 2471 . 1 1 1 QUA O16 O -5.744 -0.844 0.072 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2y 1
. 14 . 2472 . 1 1 2 ILE C C -4.406 -5.065 2.002 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2y 1
. 14 . 2473 . 1 1 2 ILE CA C -5.732 -5.038 1.248 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2y 1
. 14 . 2474 . 1 1 2 ILE CB C -6.379 -6.445 1.297 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2y 1
. 14 . 2475 . 1 1 2 ILE CD1 C -5.253 -7.260 -0.893 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2y 1
. 14 . 2476 . 1 1 2 ILE CG1 C -5.509 -7.509 0.588 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2y 1
. 14 . 2477 . 1 1 2 ILE CG2 C -7.776 -6.406 0.695 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2y 1
. 14 . 2478 . 1 1 2 ILE H H -4.583 -4.628 -0.377 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2y 1
. 14 . 2479 . 1 1 2 ILE HA H -6.397 -4.340 1.735 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2y 1
. 14 . 2480 . 1 1 2 ILE HB H -6.482 -6.720 2.336 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2y 1
. 14 . 2481 . 1 1 2 ILE HD11 H -4.870 -8.162 -1.345 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2y 1
. 14 . 2482 . 1 1 2 ILE HD12 H -4.527 -6.468 -1.011 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2y 1
. 14 . 2483 . 1 1 2 ILE HD13 H -6.174 -6.979 -1.379 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2y 1
. 14 . 2484 . 1 1 2 ILE HG12 H -4.550 -7.562 1.077 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2y 1
. 14 . 2485 . 1 1 2 ILE HG13 H -5.998 -8.469 0.678 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2y 1
. 14 . 2486 . 1 1 2 ILE HG21 H -7.733 -5.967 -0.290 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2y 1
. 14 . 2487 . 1 1 2 ILE HG22 H -8.422 -5.812 1.325 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2y 1
. 14 . 2488 . 1 1 2 ILE HG23 H -8.166 -7.410 0.626 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2y 1
. 14 . 2489 . 1 1 2 ILE N N -5.536 -4.585 -0.153 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2y 1
. 14 . 2490 . 1 1 2 ILE O O -4.347 -4.745 3.189 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2y 1
. 14 . 2491 . 1 1 3 ALA C C -0.956 -5.727 0.801 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2y 1
. 14 . 2492 . 1 1 3 ALA CA C -2.014 -5.537 1.883 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2y 1
. 14 . 2493 . 1 1 3 ALA CB C -1.946 -6.678 2.890 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2y 1
. 14 . 2494 . 1 1 3 ALA H H -3.465 -5.689 0.353 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2y 1
. 14 . 2495 . 1 1 3 ALA HA H -1.819 -4.613 2.408 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2y 1
. 14 . 2496 . 1 1 3 ALA HB1 H -2.657 -6.501 3.685 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2y 1
. 14 . 2497 . 1 1 3 ALA HB2 H -0.950 -6.736 3.304 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2y 1
. 14 . 2498 . 1 1 3 ALA HB3 H -2.186 -7.608 2.396 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2y 1
. 14 . 2499 . 1 1 3 ALA N N -3.347 -5.452 1.297 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2y 1
. 14 . 2500 . 1 1 3 ALA O O -1.012 -6.688 0.035 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2y 1
. 14 . 2501 . 1 1 4 DHA C C 2.178 -3.886 0.261 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2y 1
. 14 . 2502 . 1 1 4 DHA CA C 1.123 -4.763 -0.191 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2y 1
. 14 . 2503 . 1 1 4 DHA CB C 1.217 -5.437 -1.325 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2y 1
. 14 . 2504 . 1 1 4 DHA H H -0.029 -4.094 1.429 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2y 1
. 14 . 2505 . 1 1 4 DHA HB1 H 0.421 -6.094 -1.632 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2y 1
. 14 . 2506 . 1 1 4 DHA HB2 H 2.098 -5.337 -1.941 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2y 1
. 14 . 2507 . 1 1 4 DHA N N 0.005 -4.805 0.754 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2y 1
. 14 . 2508 . 1 1 4 DHA O O 2.013 -3.326 1.341 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2y 1
. 14 . 2509 . 1 1 5 ALA C C 4.539 -1.723 -1.146 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2y 1
. 14 . 2510 . 1 1 5 ALA CA C 4.306 -2.789 -0.086 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2y 1
. 14 . 2511 . 1 1 5 ALA CB C 5.571 -3.577 0.189 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2y 1
. 14 . 2512 . 1 1 5 ALA H H 3.327 -4.176 -1.343 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2y 1
. 14 . 2513 . 1 1 5 ALA HA H 4.003 -2.307 0.833 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2y 1
. 14 . 2514 . 1 1 5 ALA HB1 H 5.351 -4.360 0.901 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2y 1
. 14 . 2515 . 1 1 5 ALA HB2 H 6.325 -2.920 0.595 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2y 1
. 14 . 2516 . 1 1 5 ALA HB3 H 5.928 -4.017 -0.729 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2y 1
. 14 . 2517 . 1 1 5 ALA N N 3.247 -3.696 -0.493 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2y 1
. 14 . 2518 . 1 1 5 ALA O O 4.951 -2.032 -2.265 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2y 1
. 14 . 2519 . 1 1 6 SER C C 3.325 0.523 -2.814 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2y 1
. 14 . 2520 . 1 1 6 SER CA C 4.345 0.661 -1.783 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2y 1
. 14 . 2521 . 1 1 6 SER CB C 5.784 0.777 -2.365 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2y 1
. 14 . 2522 . 1 1 6 SER H H 4.000 -0.280 0.138 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2y 1
. 14 . 2523 . 1 1 6 SER HB2 H 5.998 -0.078 -2.987 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2y 1
. 14 . 2524 . 1 1 6 SER HB3 H 5.862 1.679 -2.954 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2y 1
. 14 . 2525 . 1 1 6 SER N N 4.261 -0.465 -0.788 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2y 1
. 14 . 2526 . 1 1 7 . C C -0.038 0.847 -3.987 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2y 1
. 14 . 2527 . 1 1 7 . CA C 1.381 0.584 -3.844 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2y 1
. 14 . 2528 . 1 1 7 . CB C 2.172 0.044 -4.903 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2y 1
. 14 . 2529 . 1 1 7 . HB H 1.813 -0.221 -5.887 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2y 1
. 14 . 2530 . 1 1 7 . N N 2.069 0.830 -2.710 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2y 1
. 14 . 2531 . 1 1 7 . O O -0.680 0.650 -5.019 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2y 1
. 14 . 2532 . 1 1 7 . SG S 3.758 -0.109 -4.359 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2y 1
. 14 . 2533 . 1 1 8 THR C C -1.840 3.413 -2.693 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2y 1
. 14 . 2534 . 1 1 8 THR CA C -1.931 1.905 -2.876 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2y 1
. 14 . 2535 . 1 1 8 THR CB C -2.844 1.306 -1.785 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2y 1
. 14 . 2536 . 1 1 8 THR CG2 C -2.261 1.508 -0.394 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2y 1
. 14 . 2537 . 1 1 8 THR H H -0.101 1.258 -2.023 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2y 1
. 14 . 2538 . 1 1 8 THR HA H -2.377 1.701 -3.838 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2y 1
. 14 . 2539 . 1 1 8 THR HB H -2.943 0.248 -1.966 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2y 1
. 14 . 2540 . 1 1 8 THR HG1 H -4.664 1.474 -2.529 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2y 1
. 14 . 2541 . 1 1 8 THR HG21 H -2.870 0.987 0.330 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2y 1
. 14 . 2542 . 1 1 8 THR HG22 H -2.246 2.561 -0.158 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2y 1
. 14 . 2543 . 1 1 8 THR HG23 H -1.257 1.117 -0.368 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2y 1
. 14 . 2544 . 1 1 8 THR N N -0.596 1.315 -2.869 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2y 1
. 14 . 2545 . 1 1 8 THR O O -0.779 3.947 -2.370 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2y 1
. 14 . 2546 . 1 1 8 THR OG1 O -4.143 1.908 -1.850 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2y 1
. 14 . 2547 . 1 1 9 DBU C C -3.438 6.201 -1.664 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2y 1
. 14 . 2548 . 1 1 9 DBU CA C -3.050 5.554 -2.936 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2y 1
. 14 . 2549 . 1 1 9 DBU CB C -2.804 6.271 -4.020 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2y 1
. 14 . 2550 . 1 1 9 DBU CG C -2.389 5.624 -5.349 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2y 1
. 14 . 2551 . 1 1 9 DBU HG1 H -1.968 6.374 -6.002 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2y 1
. 14 . 2552 . 1 1 9 DBU HG2 H -3.254 5.181 -5.819 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2y 1
. 14 . 2553 . 1 1 9 DBU HG3 H -1.650 4.854 -5.157 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2y 1
. 14 . 2554 . 1 1 9 DBU N N -2.955 4.096 -2.898 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2y 1
. 14 . 2555 . 1 1 10 CYS C C -4.668 5.682 1.632 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . rr_2l2y 1
. 14 . 2556 . 1 1 10 CYS CA C -3.877 6.425 0.576 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . rr_2l2y 1
. 14 . 2557 . 1 1 10 CYS CB C -4.700 7.563 -0.018 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . rr_2l2y 1
. 14 . 2558 . 1 1 10 CYS HA H -2.992 6.848 1.034 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . rr_2l2y 1
. 14 . 2559 . 1 1 10 CYS HB2 H -5.735 7.258 -0.135 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB2 . . . . . . . . . rr_2l2y 1
. 14 . 2560 . 1 1 10 CYS HB3 H -4.625 8.447 0.588 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . rr_2l2y 1
. 14 . 2561 . 1 1 10 CYS N N -3.454 5.562 -0.528 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . rr_2l2y 1
. 14 . 2562 . 1 1 10 CYS O O -5.486 6.309 2.306 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . rr_2l2y 1
. 14 . 2563 . 1 1 10 CYS SG S -3.922 7.864 -1.612 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . rr_2l2y 1
. 14 . 2564 . 1 1 11 . C C -3.986 2.994 3.730 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2y 1
. 14 . 2565 . 1 1 11 . CA C -5.067 3.588 2.827 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2y 1
. 14 . 2566 . 1 1 11 . CB C -5.969 2.460 2.213 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2y 1
. 14 . 2567 . 1 1 11 . CD1 C -7.810 2.170 0.382 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2y 1
. 14 . 2568 . 1 1 11 . CG1 C -6.911 3.128 1.153 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2y 1
. 14 . 2569 . 1 1 11 . CG2 C -6.768 1.783 3.281 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2y 1
. 14 . 2570 . 1 1 11 . H H -3.815 3.937 1.157 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2y 1
. 14 . 2571 . 1 1 11 . HA H -5.685 4.253 3.411 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2y 1
. 14 . 2572 . 1 1 11 . HD11 H -8.327 2.710 -0.397 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2y 1
. 14 . 2573 . 1 1 11 . HD12 H -8.532 1.732 1.056 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2y 1
. 14 . 2574 . 1 1 11 . HD13 H -7.209 1.389 -0.058 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2y 1
. 14 . 2575 . 1 1 11 . HD2 H -8.344 3.588 2.432 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2y 1
. 14 . 2576 . 1 1 11 . HG1 H -6.314 3.670 0.438 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2y 1
. 14 . 2577 . 1 1 11 . HG21 H -7.382 1.012 2.839 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2y 1
. 14 . 2578 . 1 1 11 . HG22 H -7.401 2.508 3.774 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2y 1
. 14 . 2579 . 1 1 11 . HG23 H -6.103 1.338 4.006 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2y 1
. 14 . 2580 . 1 1 11 . HG3 H -4.827 0.869 2.204 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2y 1
. 14 . 2581 . 1 1 11 . N N -4.433 4.379 1.776 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2y 1
. 14 . 2582 . 1 1 11 . OD2 O -7.726 4.064 1.872 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2y 1
. 14 . 2583 . 1 1 11 . OG3 O -5.144 1.510 1.563 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2y 1
. 14 . 2584 . 1 1 12 . C C -0.826 1.391 4.172 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2y 1
. 14 . 2585 . 1 1 12 . CA C -2.119 2.025 4.346 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2y 1
. 14 . 2586 . 1 1 12 . CB C -2.696 2.238 5.636 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2y 1
. 14 . 2587 . 1 1 12 . HB H -2.250 1.961 6.580 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2y 1
. 14 . 2588 . 1 1 12 . N N -2.878 2.464 3.317 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2y 1
. 14 . 2589 . 1 1 12 . O O -0.117 0.995 5.098 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2y 1
. 14 . 2590 . 1 1 12 . SG S -4.187 2.996 5.438 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2y 1
. 14 . 2591 . 1 1 13 THR C C 1.425 1.482 1.345 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2y 1
. 14 . 2592 . 1 1 13 THR CA C 0.824 0.704 2.513 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2y 1
. 14 . 2593 . 1 1 13 THR CB C 0.720 -0.797 2.173 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2y 1
. 14 . 2594 . 1 1 13 THR CG2 C 0.507 -1.630 3.424 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2y 1
. 14 . 2595 . 1 1 13 THR H H -1.093 1.554 2.193 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2y 1
. 14 . 2596 . 1 1 13 THR HA H 1.481 0.800 3.365 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2y 1
. 14 . 2597 . 1 1 13 THR HB H 1.631 -1.120 1.689 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2y 1
. 14 . 2598 . 1 1 13 THR HG21 H 0.505 -2.677 3.162 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2y 1
. 14 . 2599 . 1 1 13 THR HG22 H -0.440 -1.370 3.872 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2y 1
. 14 . 2600 . 1 1 13 THR HG23 H 1.304 -1.436 4.126 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2y 1
. 14 . 2601 . 1 1 13 THR N N -0.471 1.265 2.894 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2y 1
. 14 . 2602 . 1 1 13 THR OG1 O -0.450 -1.055 1.297 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2y 1
. 14 . 2603 . 1 1 14 . C C 4.154 1.975 -0.943 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2y 1
. 14 . 2604 . 1 1 14 . CA C 2.850 2.094 -0.204 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2y 1
. 14 . 2605 . 1 1 14 . CB C 1.815 3.048 -0.461 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2y 1
. 14 . 2606 . 1 1 14 . HB H 1.835 3.807 -1.226 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2y 1
. 14 . 2607 . 1 1 14 . N N 2.581 1.245 0.813 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2y 1
. 14 . 2608 . 1 1 14 . SG S 0.561 2.785 0.632 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2y 1
. 14 . 2609 . 1 1 15 . C C 7.281 1.767 1.054 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2y 1
. 14 . 2610 . 1 1 15 . CA C 6.332 1.583 -0.065 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2y 1
. 14 . 2611 . 1 1 15 . CB C 6.815 0.833 -1.238 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2y 1
. 14 . 2612 . 1 1 15 . HB2 H 7.047 -0.177 -0.938 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2y 1
. 14 . 2613 . 1 1 15 . HB3 H 7.712 1.300 -1.621 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2y 1
. 14 . 2614 . 1 1 15 . N N 5.170 2.103 0.110 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2y 1
. 14 . 2615 . 1 1 16 . C C 10.505 1.231 2.475 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2y 1
. 14 . 2616 . 1 1 16 . CA C 9.135 1.619 2.203 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2y 1
. 14 . 2617 . 1 1 16 . CB C 8.352 2.369 3.137 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2y 1
. 14 . 2618 . 1 1 16 . HB H 8.683 2.713 4.106 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2y 1
. 14 . 2619 . 1 1 16 . N N 8.489 1.310 1.055 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2y 1
. 14 . 2620 . 1 1 16 . O O 11.107 1.500 3.512 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2y 1
. 14 . 2621 . 1 1 16 . SG S 6.826 2.626 2.471 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2y 1
. 14 . 2622 . 1 1 17 DHA C C 12.690 -0.747 0.202 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2y 1
. 14 . 2623 . 1 1 17 DHA CA C 12.425 0.015 1.410 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2y 1
. 14 . 2624 . 1 1 17 DHA CB C 13.364 0.186 2.330 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2y 1
. 14 . 2625 . 1 1 17 DHA H H 10.469 0.366 0.698 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2y 1
. 14 . 2626 . 1 1 17 DHA HB1 H 14.344 -0.243 2.186 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2y 1
. 14 . 2627 . 1 1 17 DHA HB2 H 13.154 0.755 3.222 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2y 1
. 14 . 2628 . 1 1 17 DHA N N 11.048 0.541 1.468 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2y 1
. 14 . 2629 . 1 1 17 DHA O O 11.771 -0.864 -0.609 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2y 1
. 14 . 2630 . 1 1 18 NH2 HN1 H 14.065 -1.793 -0.807 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . rr_2l2y 1
. 14 . 2631 . 1 1 18 NH2 HN2 H 14.587 -1.156 0.688 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . rr_2l2y 1
. 14 . 2632 . 1 1 18 NH2 N N 13.891 -1.281 0.010 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . rr_2l2y 1
. 15 . 2633 . 1 1 1 QUA C10 C -3.673 -2.464 -2.088 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2y 1
. 15 . 2634 . 1 1 1 QUA C11 C -0.175 -1.345 0.042 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2y 1
. 15 . 2635 . 1 1 1 QUA C13 C -2.330 -2.826 -4.220 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2y 1
. 15 . 2636 . 1 1 1 QUA C14 C -2.343 -4.346 -4.352 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2y 1
. 15 . 2637 . 1 1 1 QUA C2 C -1.425 -1.737 -0.687 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2y 1
. 15 . 2638 . 1 1 1 QUA C3 C -1.298 -2.072 -2.031 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2y 1
. 15 . 2639 . 1 1 1 QUA C4 C -2.439 -2.441 -2.747 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2y 1
. 15 . 2640 . 1 1 1 QUA C5 C -4.931 -2.829 -2.765 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2y 1
. 15 . 2641 . 1 1 1 QUA C6 C -5.980 -3.180 -2.099 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2y 1
. 15 . 2642 . 1 1 1 QUA C7 C -5.962 -3.250 -0.575 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2y 1
. 15 . 2643 . 1 1 1 QUA C8 C -5.032 -2.151 0.011 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2y 1
. 15 . 2644 . 1 1 1 QUA C9 C -3.706 -2.119 -0.745 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2y 1
. 15 . 2645 . 1 1 1 QUA H13 H -3.174 -2.430 -4.761 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2y 1
. 15 . 2646 . 1 1 1 QUA H141 H -3.125 -4.759 -3.725 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2y 1
. 15 . 2647 . 1 1 1 QUA H142 H -1.388 -4.742 -4.041 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2y 1
. 15 . 2648 . 1 1 1 QUA H143 H -2.527 -4.616 -5.381 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2y 1
. 15 . 2649 . 1 1 1 QUA H15 H -1.343 -1.802 -5.589 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2y 1
. 15 . 2650 . 1 1 1 QUA H16 H -6.633 -1.014 -0.191 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2y 1
. 15 . 2651 . 1 1 1 QUA HC3 H -0.333 -2.044 -2.514 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2y 1
. 15 . 2652 . 1 1 1 QUA HC5 H -4.986 -2.794 -3.841 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2y 1
. 15 . 2653 . 1 1 1 QUA HC6 H -6.881 -3.434 -2.634 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2y 1
. 15 . 2654 . 1 1 1 QUA HC71 H -6.959 -3.129 -0.184 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2y 1
. 15 . 2655 . 1 1 1 QUA HC8 H -4.847 -2.382 1.048 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2y 1
. 15 . 2656 . 1 1 1 QUA N1 N -2.613 -1.753 -0.017 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2y 1
. 15 . 2657 . 1 1 1 QUA O12 O 0.938 -1.335 -0.486 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2y 1
. 15 . 2658 . 1 1 1 QUA O15 O -1.127 -2.307 -4.802 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2y 1
. 15 . 2659 . 1 1 1 QUA O16 O -5.691 -0.880 -0.062 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2y 1
. 15 . 2660 . 1 1 2 ILE C C -4.449 -5.082 1.953 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2y 1
. 15 . 2661 . 1 1 2 ILE CA C -5.734 -5.062 1.133 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2y 1
. 15 . 2662 . 1 1 2 ILE CB C -6.384 -6.470 1.161 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2y 1
. 15 . 2663 . 1 1 2 ILE CD1 C -5.181 -7.293 -0.984 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2y 1
. 15 . 2664 . 1 1 2 ILE CG1 C -5.489 -7.537 0.488 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2y 1
. 15 . 2665 . 1 1 2 ILE CG2 C -7.757 -6.430 0.508 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2y 1
. 15 . 2666 . 1 1 2 ILE H H -4.503 -4.663 -0.431 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2y 1
. 15 . 2667 . 1 1 2 ILE HA H -6.424 -4.361 1.582 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2y 1
. 15 . 2668 . 1 1 2 ILE HB H -6.526 -6.742 2.198 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2y 1
. 15 . 2669 . 1 1 2 ILE HD11 H -4.808 -8.204 -1.426 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2y 1
. 15 . 2670 . 1 1 2 ILE HD12 H -4.430 -6.519 -1.078 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2y 1
. 15 . 2671 . 1 1 2 ILE HD13 H -6.078 -6.986 -1.499 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2y 1
. 15 . 2672 . 1 1 2 ILE HG12 H -4.548 -7.588 1.011 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2y 1
. 15 . 2673 . 1 1 2 ILE HG13 H -5.981 -8.495 0.564 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2y 1
. 15 . 2674 . 1 1 2 ILE HG21 H -7.680 -5.975 -0.468 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2y 1
. 15 . 2675 . 1 1 2 ILE HG22 H -8.431 -5.850 1.122 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2y 1
. 15 . 2676 . 1 1 2 ILE HG23 H -8.137 -7.435 0.408 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2y 1
. 15 . 2677 . 1 1 2 ILE N N -5.466 -4.621 -0.259 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2y 1
. 15 . 2678 . 1 1 2 ILE O O -4.442 -4.726 3.132 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2y 1
. 15 . 2679 . 1 1 3 ALA C C -0.960 -5.806 0.921 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2y 1
. 15 . 2680 . 1 1 3 ALA CA C -2.055 -5.564 1.953 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2y 1
. 15 . 2681 . 1 1 3 ALA CB C -2.036 -6.661 3.009 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2y 1
. 15 . 2682 . 1 1 3 ALA H H -3.441 -5.772 0.371 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2y 1
. 15 . 2683 . 1 1 3 ALA HA H -1.875 -4.619 2.443 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2y 1
. 15 . 2684 . 1 1 3 ALA HB1 H -2.780 -6.449 3.763 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2y 1
. 15 . 2685 . 1 1 3 ALA HB2 H -1.059 -6.702 3.468 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2y 1
. 15 . 2686 . 1 1 3 ALA HB3 H -2.256 -7.611 2.545 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2y 1
. 15 . 2687 . 1 1 3 ALA N N -3.361 -5.499 1.309 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2y 1
. 15 . 2688 . 1 1 3 ALA O O -0.956 -6.832 0.241 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2y 1
. 15 . 2689 . 1 1 4 DHA C C 2.128 -3.917 0.310 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2y 1
. 15 . 2690 . 1 1 4 DHA CA C 1.104 -4.848 -0.103 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2y 1
. 15 . 2691 . 1 1 4 DHA CB C 1.237 -5.593 -1.188 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2y 1
. 15 . 2692 . 1 1 4 DHA H H -0.101 -4.096 1.436 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2y 1
. 15 . 2693 . 1 1 4 DHA HB1 H 0.462 -6.288 -1.467 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2y 1
. 15 . 2694 . 1 1 4 DHA HB2 H 2.129 -5.512 -1.793 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2y 1
. 15 . 2695 . 1 1 4 DHA N N -0.030 -4.856 0.821 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2y 1
. 15 . 2696 . 1 1 4 DHA O O 1.925 -3.294 1.348 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2y 1
. 15 . 2697 . 1 1 5 ALA C C 4.450 -1.762 -1.144 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2y 1
. 15 . 2698 . 1 1 5 ALA CA C 4.239 -2.800 -0.051 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2y 1
. 15 . 2699 . 1 1 5 ALA CB C 5.523 -3.544 0.257 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2y 1
. 15 . 2700 . 1 1 5 ALA H H 3.315 -4.272 -1.253 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2y 1
. 15 . 2701 . 1 1 5 ALA HA H 3.919 -2.297 0.849 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2y 1
. 15 . 2702 . 1 1 5 ALA HB1 H 6.254 -2.854 0.649 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2y 1
. 15 . 2703 . 1 1 5 ALA HB2 H 5.900 -4.000 -0.646 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2y 1
. 15 . 2704 . 1 1 5 ALA HB3 H 5.317 -4.310 0.990 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2y 1
. 15 . 2705 . 1 1 5 ALA N N 3.207 -3.749 -0.431 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2y 1
. 15 . 2706 . 1 1 5 ALA O O 4.820 -2.101 -2.268 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2y 1
. 15 . 2707 . 1 1 6 SER C C 3.238 0.482 -2.825 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2y 1
. 15 . 2708 . 1 1 6 SER CA C 4.284 0.613 -1.816 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2y 1
. 15 . 2709 . 1 1 6 SER CB C 5.710 0.691 -2.433 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2y 1
. 15 . 2710 . 1 1 6 SER H H 3.961 -0.289 0.125 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2y 1
. 15 . 2711 . 1 1 6 SER HB2 H 5.890 -0.176 -3.050 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2y 1
. 15 . 2712 . 1 1 6 SER HB3 H 5.795 1.584 -3.034 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2y 1
. 15 . 2713 . 1 1 6 SER N N 4.201 -0.495 -0.802 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2y 1
. 15 . 2714 . 1 1 7 . C C -0.138 0.859 -3.939 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2y 1
. 15 . 2715 . 1 1 7 . CA C 1.276 0.568 -3.818 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2y 1
. 15 . 2716 . 1 1 7 . CB C 2.034 -0.004 -4.883 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2y 1
. 15 . 2717 . 1 1 7 . HB H 1.650 -0.278 -5.855 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2y 1
. 15 . 2718 . 1 1 7 . N N 1.992 0.818 -2.701 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2y 1
. 15 . 2719 . 1 1 7 . O O -0.801 0.670 -4.960 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2y 1
. 15 . 2720 . 1 1 7 . SG S 3.626 -0.184 -4.367 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2y 1
. 15 . 2721 . 1 1 8 THR C C -1.908 3.436 -2.619 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2y 1
. 15 . 2722 . 1 1 8 THR CA C -2.002 1.926 -2.791 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2y 1
. 15 . 2723 . 1 1 8 THR CB C -2.887 1.333 -1.674 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2y 1
. 15 . 2724 . 1 1 8 THR CG2 C -2.256 1.519 -0.303 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2y 1
. 15 . 2725 . 1 1 8 THR H H -0.153 1.286 -1.980 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2y 1
. 15 . 2726 . 1 1 8 THR HA H -2.473 1.716 -3.741 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2y 1
. 15 . 2727 . 1 1 8 THR HB H -3.005 0.276 -1.858 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2y 1
. 15 . 2728 . 1 1 8 THR HG1 H -4.197 2.678 -1.067 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2y 1
. 15 . 2729 . 1 1 8 THR HG21 H -2.824 0.971 0.433 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2y 1
. 15 . 2730 . 1 1 8 THR HG22 H -2.252 2.568 -0.046 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2y 1
. 15 . 2731 . 1 1 8 THR HG23 H -1.243 1.150 -0.322 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2y 1
. 15 . 2732 . 1 1 8 THR N N -0.667 1.336 -2.813 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2y 1
. 15 . 2733 . 1 1 8 THR O O -0.843 3.971 -2.311 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2y 1
. 15 . 2734 . 1 1 8 THR OG1 O -4.180 1.951 -1.693 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2y 1
. 15 . 2735 . 1 1 9 DBU C C -3.472 6.232 -1.590 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2y 1
. 15 . 2736 . 1 1 9 DBU CA C -3.117 5.575 -2.868 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2y 1
. 15 . 2737 . 1 1 9 DBU CB C -2.897 6.283 -3.962 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2y 1
. 15 . 2738 . 1 1 9 DBU CG C -2.516 5.625 -5.296 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2y 1
. 15 . 2739 . 1 1 9 DBU HG1 H -1.764 4.864 -5.117 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2y 1
. 15 . 2740 . 1 1 9 DBU HG2 H -2.119 6.372 -5.968 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2y 1
. 15 . 2741 . 1 1 9 DBU HG3 H -3.390 5.170 -5.737 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2y 1
. 15 . 2742 . 1 1 9 DBU N N -3.024 4.118 -2.820 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2y 1
. 15 . 2743 . 1 1 10 CYS C C -4.587 5.715 1.738 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . rr_2l2y 1
. 15 . 2744 . 1 1 10 CYS CA C -3.837 6.465 0.660 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . rr_2l2y 1
. 15 . 2745 . 1 1 10 CYS CB C -4.689 7.594 0.090 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . rr_2l2y 1
. 15 . 2746 . 1 1 10 CYS HA H -2.943 6.897 1.092 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . rr_2l2y 1
. 15 . 2747 . 1 1 10 CYS HB2 H -5.726 7.283 0.017 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB2 . . . . . . . . . rr_2l2y 1
. 15 . 2748 . 1 1 10 CYS HB3 H -4.594 8.483 0.687 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . rr_2l2y 1
. 15 . 2749 . 1 1 10 CYS N N -3.440 5.601 -0.452 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . rr_2l2y 1
. 15 . 2750 . 1 1 10 CYS O O -5.215 6.359 2.579 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . rr_2l2y 1
. 15 . 2751 . 1 1 10 CYS SG S -3.976 7.888 -1.536 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . rr_2l2y 1
. 15 . 2752 . 1 1 11 . C C -3.973 3.087 3.699 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2y 1
. 15 . 2753 . 1 1 11 . CA C -5.097 3.567 2.781 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2y 1
. 15 . 2754 . 1 1 11 . CB C -5.896 2.357 2.182 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2y 1
. 15 . 2755 . 1 1 11 . CD1 C -7.647 1.901 0.303 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2y 1
. 15 . 2756 . 1 1 11 . CG1 C -6.947 2.934 1.172 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2y 1
. 15 . 2757 . 1 1 11 . CG2 C -6.576 1.580 3.266 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2y 1
. 15 . 2758 . 1 1 11 . H H -4.086 3.943 0.963 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2y 1
. 15 . 2759 . 1 1 11 . HA H -5.775 4.188 3.347 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2y 1
. 15 . 2760 . 1 1 11 . HD11 H -8.317 2.400 -0.381 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2y 1
. 15 . 2761 . 1 1 11 . HD12 H -8.210 1.224 0.929 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2y 1
. 15 . 2762 . 1 1 11 . HD13 H -6.911 1.343 -0.258 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2y 1
. 15 . 2763 . 1 1 11 . HD2 H -8.798 3.296 1.754 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2y 1
. 15 . 2764 . 1 1 11 . HG1 H -6.460 3.643 0.520 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2y 1
. 15 . 2765 . 1 1 11 . HG21 H -7.186 0.806 2.826 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2y 1
. 15 . 2766 . 1 1 11 . HG22 H -7.199 2.244 3.847 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2y 1
. 15 . 2767 . 1 1 11 . HG23 H -5.835 1.130 3.908 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2y 1
. 15 . 2768 . 1 1 11 . HG3 H -4.484 2.033 0.865 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2y 1
. 15 . 2769 . 1 1 11 . N N -4.526 4.386 1.717 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2y 1
. 15 . 2770 . 1 1 11 . OD2 O -7.922 3.631 1.960 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2y 1
. 15 . 2771 . 1 1 11 . OG3 O -4.999 1.511 1.485 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2y 1
. 15 . 2772 . 1 1 12 . C C -0.765 1.595 4.176 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2y 1
. 15 . 2773 . 1 1 12 . CA C -2.064 2.219 4.337 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2y 1
. 15 . 2774 . 1 1 12 . CB C -2.599 2.551 5.621 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2y 1
. 15 . 2775 . 1 1 12 . HB H -2.112 2.378 6.570 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2y 1
. 15 . 2776 . 1 1 12 . N N -2.871 2.540 3.300 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2y 1
. 15 . 2777 . 1 1 12 . O O -0.015 1.304 5.107 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2y 1
. 15 . 2778 . 1 1 12 . SG S -4.113 3.256 5.406 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2y 1
. 15 . 2779 . 1 1 13 THR C C 1.437 1.527 1.342 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2y 1
. 15 . 2780 . 1 1 13 THR CA C 0.834 0.773 2.526 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2y 1
. 15 . 2781 . 1 1 13 THR CB C 0.710 -0.733 2.213 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2y 1
. 15 . 2782 . 1 1 13 THR CG2 C 0.433 -1.533 3.472 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2y 1
. 15 . 2783 . 1 1 13 THR H H -1.103 1.575 2.201 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2y 1
. 15 . 2784 . 1 1 13 THR HA H 1.495 0.876 3.373 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2y 1
. 15 . 2785 . 1 1 13 THR HB H 1.632 -1.085 1.770 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2y 1
. 15 . 2786 . 1 1 13 THR HG21 H 1.220 -1.360 4.189 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2y 1
. 15 . 2787 . 1 1 13 THR HG22 H 0.394 -2.584 3.227 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2y 1
. 15 . 2788 . 1 1 13 THR HG23 H -0.513 -1.226 3.893 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2y 1
. 15 . 2789 . 1 1 13 THR N N -0.454 1.356 2.902 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2y 1
. 15 . 2790 . 1 1 13 THR OG1 O -0.433 -0.989 1.300 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2y 1
. 15 . 2791 . 1 1 14 . C C 4.142 1.940 -0.989 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2y 1
. 15 . 2792 . 1 1 14 . CA C 2.852 2.094 -0.232 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2y 1
. 15 . 2793 . 1 1 14 . CB C 1.834 3.066 -0.483 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2y 1
. 15 . 2794 . 1 1 14 . HB H 1.858 3.818 -1.257 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2y 1
. 15 . 2795 . 1 1 14 . N N 2.581 1.260 0.798 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2y 1
. 15 . 2796 . 1 1 14 . SG S 0.590 2.841 0.628 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2y 1
. 15 . 2797 . 1 1 15 . C C 7.312 1.667 0.941 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2y 1
. 15 . 2798 . 1 1 15 . CA C 6.330 1.504 -0.153 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2y 1
. 15 . 2799 . 1 1 15 . CB C 6.767 0.734 -1.331 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2y 1
. 15 . 2800 . 1 1 15 . HB2 H 6.984 -0.277 -1.027 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2y 1
. 15 . 2801 . 1 1 15 . HB3 H 7.664 1.178 -1.739 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2y 1
. 15 . 2802 . 1 1 15 . N N 5.182 2.053 0.045 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2y 1
. 15 . 2803 . 1 1 16 . C C 10.562 1.040 2.261 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2y 1
. 15 . 2804 . 1 1 16 . CA C 9.196 1.469 2.033 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2y 1
. 15 . 2805 . 1 1 16 . CB C 8.464 2.243 2.988 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2y 1
. 15 . 2806 . 1 1 16 . HB H 8.834 2.580 3.945 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2y 1
. 15 . 2807 . 1 1 16 . N N 8.506 1.176 0.909 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2y 1
. 15 . 2808 . 1 1 16 . O O 11.209 1.299 3.273 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2y 1
. 15 . 2809 . 1 1 16 . SG S 6.925 2.543 2.369 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2y 1
. 15 . 2810 . 1 1 17 DHA C C 12.610 -1.010 -0.082 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2y 1
. 15 . 2811 . 1 1 17 DHA CA C 12.396 -0.267 1.151 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2y 1
. 15 . 2812 . 1 1 17 DHA CB C 13.354 -0.162 2.060 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2y 1
. 15 . 2813 . 1 1 17 DHA H H 10.439 0.168 0.490 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2y 1
. 15 . 2814 . 1 1 17 DHA HB1 H 14.311 -0.633 1.890 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2y 1
. 15 . 2815 . 1 1 17 DHA HB2 H 13.183 0.391 2.969 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2y 1
. 15 . 2816 . 1 1 17 DHA N N 11.046 0.320 1.245 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2y 1
. 15 . 2817 . 1 1 17 DHA O O 11.676 -1.064 -0.882 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2y 1
. 15 . 2818 . 1 1 18 NH2 HN1 H 13.923 -2.093 -1.134 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . rr_2l2y 1
. 15 . 2819 . 1 1 18 NH2 HN2 H 14.492 -1.519 0.370 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . rr_2l2y 1
. 15 . 2820 . 1 1 18 NH2 N N 13.783 -1.594 -0.302 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . rr_2l2y 1
. 16 . 2821 . 1 1 1 QUA C10 C -3.749 -2.422 -2.037 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2y 1
. 16 . 2822 . 1 1 1 QUA C11 C -0.194 -1.380 0.031 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2y 1
. 16 . 2823 . 1 1 1 QUA C13 C -2.453 -2.790 -4.198 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2y 1
. 16 . 2824 . 1 1 1 QUA C14 C -2.513 -4.308 -4.343 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2y 1
. 16 . 2825 . 1 1 1 QUA C2 C -1.464 -1.746 -0.676 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2y 1
. 16 . 2826 . 1 1 1 QUA C3 C -1.367 -2.072 -2.023 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2y 1
. 16 . 2827 . 1 1 1 QUA C4 C -2.528 -2.416 -2.720 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2y 1
. 16 . 2828 . 1 1 1 QUA C5 C -5.027 -2.760 -2.692 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2y 1
. 16 . 2829 . 1 1 1 QUA C6 C -6.068 -3.100 -2.006 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2y 1
. 16 . 2830 . 1 1 1 QUA C7 C -6.020 -3.183 -0.482 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2y 1
. 16 . 2831 . 1 1 1 QUA C8 C -5.061 -2.100 0.089 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2y 1
. 16 . 2832 . 1 1 1 QUA C9 C -3.750 -2.085 -0.692 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2y 1
. 16 . 2833 . 1 1 1 QUA H13 H -3.295 -2.366 -4.723 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2y 1
. 16 . 2834 . 1 1 1 QUA H141 H -1.563 -4.733 -4.056 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2y 1
. 16 . 2835 . 1 1 1 QUA H142 H -2.727 -4.564 -5.370 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2y 1
. 16 . 2836 . 1 1 1 QUA H143 H -3.291 -4.704 -3.701 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2y 1
. 16 . 2837 . 1 1 1 QUA H15 H -1.065 -2.794 -5.601 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2y 1
. 16 . 2838 . 1 1 1 QUA H16 H -5.495 -0.394 -0.804 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2y 1
. 16 . 2839 . 1 1 1 QUA HC3 H -0.411 -2.058 -2.525 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2y 1
. 16 . 2840 . 1 1 1 QUA HC5 H -5.104 -2.718 -3.766 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2y 1
. 16 . 2841 . 1 1 1 QUA HC6 H -6.983 -3.336 -2.524 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2y 1
. 16 . 2842 . 1 1 1 QUA HC71 H -7.006 -3.050 -0.071 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2y 1
. 16 . 2843 . 1 1 1 QUA HC8 H -4.861 -2.338 1.123 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2y 1
. 16 . 2844 . 1 1 1 QUA N1 N -2.638 -1.745 0.016 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2y 1
. 16 . 2845 . 1 1 1 QUA O12 O 0.907 -1.375 -0.521 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2y 1
. 16 . 2846 . 1 1 1 QUA O15 O -1.246 -2.302 -4.797 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2y 1
. 16 . 2847 . 1 1 1 QUA O16 O -5.702 -0.819 0.032 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2y 1
. 16 . 2848 . 1 1 2 ILE C C -4.435 -5.024 1.987 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2y 1
. 16 . 2849 . 1 1 2 ILE CA C -5.753 -4.996 1.219 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2y 1
. 16 . 2850 . 1 1 2 ILE CB C -6.410 -6.397 1.279 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2y 1
. 16 . 2851 . 1 1 2 ILE CD1 C -5.294 -7.226 -0.913 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2y 1
. 16 . 2852 . 1 1 2 ILE CG1 C -5.553 -7.471 0.568 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2y 1
. 16 . 2853 . 1 1 2 ILE CG2 C -7.813 -6.347 0.689 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2y 1
. 16 . 2854 . 1 1 2 ILE H H -4.583 -4.623 -0.399 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2y 1
. 16 . 2855 . 1 1 2 ILE HA H -6.418 -4.287 1.691 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2y 1
. 16 . 2856 . 1 1 2 ILE HB H -6.507 -6.667 2.320 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2y 1
. 16 . 2857 . 1 1 2 ILE HD11 H -4.949 -8.139 -1.372 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2y 1
. 16 . 2858 . 1 1 2 ILE HD12 H -4.537 -6.461 -1.029 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2y 1
. 16 . 2859 . 1 1 2 ILE HD13 H -6.205 -6.904 -1.394 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2y 1
. 16 . 2860 . 1 1 2 ILE HG12 H -4.594 -7.536 1.057 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2y 1
. 16 . 2861 . 1 1 2 ILE HG13 H -6.053 -8.425 0.658 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2y 1
. 16 . 2862 . 1 1 2 ILE HG21 H -7.774 -5.912 -0.298 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2y 1
. 16 . 2863 . 1 1 2 ILE HG22 H -8.448 -5.746 1.322 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2y 1
. 16 . 2864 . 1 1 2 ILE HG23 H -8.213 -7.348 0.625 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2y 1
. 16 . 2865 . 1 1 2 ILE N N -5.537 -4.562 -0.185 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2y 1
. 16 . 2866 . 1 1 2 ILE O O -4.383 -4.685 3.168 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2y 1
. 16 . 2867 . 1 1 3 ALA C C -0.981 -5.698 0.810 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2y 1
. 16 . 2868 . 1 1 3 ALA CA C -2.042 -5.499 1.888 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2y 1
. 16 . 2869 . 1 1 3 ALA CB C -1.969 -6.626 2.910 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2y 1
. 16 . 2870 . 1 1 3 ALA H H -3.489 -5.697 0.360 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2y 1
. 16 . 2871 . 1 1 3 ALA HA H -1.854 -4.566 2.398 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2y 1
. 16 . 2872 . 1 1 3 ALA HB1 H -0.979 -6.660 3.338 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2y 1
. 16 . 2873 . 1 1 3 ALA HB2 H -2.186 -7.566 2.426 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2y 1
. 16 . 2874 . 1 1 3 ALA HB3 H -2.693 -6.449 3.693 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2y 1
. 16 . 2875 . 1 1 3 ALA N N -3.373 -5.432 1.296 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2y 1
. 16 . 2876 . 1 1 3 ALA O O -1.048 -6.653 0.036 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2y 1
. 16 . 2877 . 1 1 4 DHA C C 2.174 -3.883 0.287 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2y 1
. 16 . 2878 . 1 1 4 DHA CA C 1.118 -4.758 -0.165 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2y 1
. 16 . 2879 . 1 1 4 DHA CB C 1.215 -5.437 -1.297 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2y 1
. 16 . 2880 . 1 1 4 DHA H H -0.035 -4.080 1.450 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2y 1
. 16 . 2881 . 1 1 4 DHA HB1 H 0.417 -6.091 -1.606 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2y 1
. 16 . 2882 . 1 1 4 DHA HB2 H 2.100 -5.342 -1.909 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2y 1
. 16 . 2883 . 1 1 4 DHA N N -0.006 -4.790 0.773 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2y 1
. 16 . 2884 . 1 1 4 DHA O O 2.005 -3.315 1.363 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2y 1
. 16 . 2885 . 1 1 5 ALA C C 4.539 -1.733 -1.130 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2y 1
. 16 . 2886 . 1 1 5 ALA CA C 4.304 -2.788 -0.058 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2y 1
. 16 . 2887 . 1 1 5 ALA CB C 5.568 -3.568 0.235 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2y 1
. 16 . 2888 . 1 1 5 ALA H H 3.337 -4.194 -1.304 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2y 1
. 16 . 2889 . 1 1 5 ALA HA H 3.994 -2.296 0.852 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2y 1
. 16 . 2890 . 1 1 5 ALA HB1 H 5.939 -4.007 -0.678 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2y 1
. 16 . 2891 . 1 1 5 ALA HB2 H 5.342 -4.351 0.945 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2y 1
. 16 . 2892 . 1 1 5 ALA HB3 H 6.313 -2.907 0.650 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2y 1
. 16 . 2893 . 1 1 5 ALA N N 3.249 -3.702 -0.461 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2y 1
. 16 . 2894 . 1 1 5 ALA O O 4.939 -2.056 -2.249 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2y 1
. 16 . 2895 . 1 1 6 SER C C 3.280 0.477 -2.795 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2y 1
. 16 . 2896 . 1 1 6 SER CA C 4.327 0.641 -1.794 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2y 1
. 16 . 2897 . 1 1 6 SER CB C 5.746 0.756 -2.422 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2y 1
. 16 . 2898 . 1 1 6 SER H H 4.054 -0.269 0.153 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2y 1
. 16 . 2899 . 1 1 6 SER HB2 H 5.947 -0.111 -3.032 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2y 1
. 16 . 2900 . 1 1 6 SER HB3 H 5.798 1.645 -3.033 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2y 1
. 16 . 2901 . 1 1 6 SER N N 4.278 -0.470 -0.779 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2y 1
. 16 . 2902 . 1 1 7 . C C -0.097 0.809 -3.912 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2y 1
. 16 . 2903 . 1 1 7 . CA C 1.318 0.527 -3.787 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2y 1
. 16 . 2904 . 1 1 7 . CB C 2.075 -0.072 -4.837 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2y 1
. 16 . 2905 . 1 1 7 . HB H 1.691 -0.374 -5.800 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2y 1
. 16 . 2906 . 1 1 7 . N N 2.035 0.812 -2.679 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2y 1
. 16 . 2907 . 1 1 7 . O O -0.764 0.587 -4.923 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2y 1
. 16 . 2908 . 1 1 7 . SG S 3.668 -0.231 -4.320 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2y 1
. 16 . 2909 . 1 1 8 THR C C -1.862 3.426 -2.633 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2y 1
. 16 . 2910 . 1 1 8 THR CA C -1.954 1.915 -2.791 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2y 1
. 16 . 2911 . 1 1 8 THR CB C -2.848 1.335 -1.675 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2y 1
. 16 . 2912 . 1 1 8 THR CG2 C -2.214 1.514 -0.304 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2y 1
. 16 . 2913 . 1 1 8 THR H H -0.105 1.298 -1.967 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2y 1
. 16 . 2914 . 1 1 8 THR HA H -2.420 1.697 -3.742 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2y 1
. 16 . 2915 . 1 1 8 THR HB H -2.981 0.281 -1.858 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2y 1
. 16 . 2916 . 1 1 8 THR HG1 H -4.750 1.432 -2.192 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2y 1
. 16 . 2917 . 1 1 8 THR HG21 H -2.793 0.979 0.433 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2y 1
. 16 . 2918 . 1 1 8 THR HG22 H -2.190 2.563 -0.050 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2y 1
. 16 . 2919 . 1 1 8 THR HG23 H -1.208 1.126 -0.322 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2y 1
. 16 . 2920 . 1 1 8 THR N N -0.622 1.323 -2.800 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2y 1
. 16 . 2921 . 1 1 8 THR O O -0.802 3.962 -2.309 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2y 1
. 16 . 2922 . 1 1 8 THR OG1 O -4.131 1.972 -1.695 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2y 1
. 16 . 2923 . 1 1 9 DBU C C -3.451 6.204 -1.628 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2y 1
. 16 . 2924 . 1 1 9 DBU CA C -3.076 5.560 -2.905 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2y 1
. 16 . 2925 . 1 1 9 DBU CB C -2.850 6.276 -3.993 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2y 1
. 16 . 2926 . 1 1 9 DBU CG C -2.452 5.627 -5.325 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2y 1
. 16 . 2927 . 1 1 9 DBU HG1 H -1.687 4.881 -5.144 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2y 1
. 16 . 2928 . 1 1 9 DBU HG2 H -2.069 6.382 -5.995 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2y 1
. 16 . 2929 . 1 1 9 DBU HG3 H -3.316 5.155 -5.769 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2y 1
. 16 . 2930 . 1 1 9 DBU N N -2.973 4.104 -2.862 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2y 1
. 16 . 2931 . 1 1 10 CYS C C -4.630 5.631 1.659 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . rr_2l2y 1
. 16 . 2932 . 1 1 10 CYS CA C -3.855 6.407 0.621 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . rr_2l2y 1
. 16 . 2933 . 1 1 10 CYS CB C -4.698 7.544 0.051 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . rr_2l2y 1
. 16 . 2934 . 1 1 10 CYS HA H -2.974 6.831 1.083 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . rr_2l2y 1
. 16 . 2935 . 1 1 10 CYS HB2 H -5.736 7.236 -0.037 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB2 . . . . . . . . . rr_2l2y 1
. 16 . 2936 . 1 1 10 CYS HB3 H -4.610 8.428 0.658 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . rr_2l2y 1
. 16 . 2937 . 1 1 10 CYS N N -3.431 5.563 -0.497 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . rr_2l2y 1
. 16 . 2938 . 1 1 10 CYS O O -5.373 6.244 2.426 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . rr_2l2y 1
. 16 . 2939 . 1 1 10 CYS SG S -3.970 7.854 -1.567 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . rr_2l2y 1
. 16 . 2940 . 1 1 11 . C C -4.042 2.902 3.622 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2y 1
. 16 . 2941 . 1 1 11 . CA C -5.107 3.465 2.682 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2y 1
. 16 . 2942 . 1 1 11 . CB C -5.915 2.313 1.989 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2y 1
. 16 . 2943 . 1 1 11 . CD1 C -7.532 1.989 -0.034 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2y 1
. 16 . 2944 . 1 1 11 . CG1 C -6.848 2.966 0.911 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2y 1
. 16 . 2945 . 1 1 11 . CG2 C -6.718 1.551 2.994 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2y 1
. 16 . 2946 . 1 1 11 . H H -3.886 3.895 1.012 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2y 1
. 16 . 2947 . 1 1 11 . HA H -5.789 4.080 3.247 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2y 1
. 16 . 2948 . 1 1 11 . HD11 H -6.784 1.416 -0.562 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2y 1
. 16 . 2949 . 1 1 11 . HD12 H -8.132 2.537 -0.745 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2y 1
. 16 . 2950 . 1 1 11 . HD13 H -8.164 1.322 0.532 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2y 1
. 16 . 2951 . 1 1 11 . HD2 H -7.490 3.975 2.481 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2y 1
. 16 . 2952 . 1 1 11 . HG1 H -6.273 3.657 0.315 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2y 1
. 16 . 2953 . 1 1 11 . HG21 H -7.350 2.234 3.542 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2y 1
. 16 . 2954 . 1 1 11 . HG22 H -6.054 1.046 3.681 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2y 1
. 16 . 2955 . 1 1 11 . HG23 H -7.333 0.822 2.489 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2y 1
. 16 . 2956 . 1 1 11 . HG3 H -4.518 1.917 0.676 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2y 1
. 16 . 2957 . 1 1 11 . N N -4.463 4.311 1.685 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2y 1
. 16 . 2958 . 1 1 11 . OD2 O -7.845 3.702 1.632 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2y 1
. 16 . 2959 . 1 1 11 . OG3 O -5.008 1.436 1.345 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2y 1
. 16 . 2960 . 1 1 12 . C C -0.852 1.395 4.154 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2y 1
. 16 . 2961 . 1 1 12 . CA C -2.168 1.989 4.294 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2y 1
. 16 . 2962 . 1 1 12 . CB C -2.791 2.182 5.568 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2y 1
. 16 . 2963 . 1 1 12 . HB H -2.367 1.916 6.524 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2y 1
. 16 . 2964 . 1 1 12 . N N -2.908 2.407 3.245 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2y 1
. 16 . 2965 . 1 1 12 . O O -0.152 1.022 5.097 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2y 1
. 16 . 2966 . 1 1 12 . SG S -4.299 2.895 5.323 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2y 1
. 16 . 2967 . 1 1 13 THR C C 1.444 1.498 1.356 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2y 1
. 16 . 2968 . 1 1 13 THR CA C 0.837 0.723 2.523 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2y 1
. 16 . 2969 . 1 1 13 THR CB C 0.740 -0.780 2.187 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2y 1
. 16 . 2970 . 1 1 13 THR CG2 C 0.511 -1.610 3.438 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2y 1
. 16 . 2971 . 1 1 13 THR H H -1.076 1.568 2.172 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2y 1
. 16 . 2972 . 1 1 13 THR HA H 1.482 0.826 3.382 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2y 1
. 16 . 2973 . 1 1 13 THR HB H 1.656 -1.104 1.715 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2y 1
. 16 . 2974 . 1 1 13 THR HG21 H 0.528 -2.659 3.181 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2y 1
. 16 . 2975 . 1 1 13 THR HG22 H -0.448 -1.361 3.864 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2y 1
. 16 . 2976 . 1 1 13 THR HG23 H 1.291 -1.402 4.155 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2y 1
. 16 . 2977 . 1 1 13 THR N N -0.468 1.277 2.883 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2y 1
. 16 . 2978 . 1 1 13 THR OG1 O -0.422 -1.043 1.300 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2y 1
. 16 . 2979 . 1 1 14 . C C 4.153 1.968 -0.971 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2y 1
. 16 . 2980 . 1 1 14 . CA C 2.862 2.098 -0.207 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2y 1
. 16 . 2981 . 1 1 14 . CB C 1.841 3.074 -0.438 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2y 1
. 16 . 2982 . 1 1 14 . HB H 1.865 3.842 -1.196 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2y 1
. 16 . 2983 . 1 1 14 . N N 2.590 1.243 0.805 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2y 1
. 16 . 2984 . 1 1 14 . SG S 0.597 2.826 0.668 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2y 1
. 16 . 2985 . 1 1 15 . C C 7.346 1.810 0.928 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2y 1
. 16 . 2986 . 1 1 15 . CA C 6.359 1.605 -0.153 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2y 1
. 16 . 2987 . 1 1 15 . CB C 6.811 0.844 -1.330 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2y 1
. 16 . 2988 . 1 1 15 . HB2 H 7.067 -0.158 -1.022 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2y 1
. 16 . 2989 . 1 1 15 . HB3 H 7.688 1.316 -1.749 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2y 1
. 16 . 2990 . 1 1 15 . N N 5.197 2.119 0.053 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2y 1
. 16 . 2991 . 1 1 16 . C C 10.640 1.333 2.203 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2y 1
. 16 . 2992 . 1 1 16 . CA C 9.253 1.698 1.995 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2y 1
. 16 . 2993 . 1 1 16 . CB C 8.498 2.437 2.962 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2y 1
. 16 . 2994 . 1 1 16 . HB H 8.866 2.790 3.915 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2y 1
. 16 . 2995 . 1 1 16 . N N 8.561 1.374 0.880 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2y 1
. 16 . 2996 . 1 1 16 . O O 11.289 1.615 3.208 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2y 1
. 16 . 2997 . 1 1 16 . SG S 6.939 2.666 2.362 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2y 1
. 16 . 2998 . 1 1 17 DHA C C 12.739 -0.621 -0.174 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2y 1
. 16 . 2999 . 1 1 17 DHA CA C 12.523 0.139 1.047 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2y 1
. 16 . 3000 . 1 1 17 DHA CB C 13.503 0.326 1.920 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2y 1
. 16 . 3001 . 1 1 17 DHA H H 10.529 0.459 0.433 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2y 1
. 16 . 3002 . 1 1 17 DHA HB1 H 14.481 -0.090 1.728 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2y 1
. 16 . 3003 . 1 1 17 DHA HB2 H 13.329 0.893 2.821 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2y 1
. 16 . 3004 . 1 1 17 DHA N N 11.143 0.645 1.173 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2y 1
. 16 . 3005 . 1 1 17 DHA O O 11.782 -0.753 -0.937 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2y 1
. 16 . 3006 . 1 1 18 NH2 HN1 H 14.078 -1.647 -1.250 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . rr_2l2y 1
. 16 . 3007 . 1 1 18 NH2 HN2 H 14.666 -1.001 0.217 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . rr_2l2y 1
. 16 . 3008 . 1 1 18 NH2 N N 13.938 -1.138 -0.425 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . rr_2l2y 1
. 17 . 3009 . 1 1 1 QUA C10 C -3.745 -2.413 -2.042 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2y 1
. 17 . 3010 . 1 1 1 QUA C11 C -0.197 -1.369 0.038 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2y 1
. 17 . 3011 . 1 1 1 QUA C13 C -2.452 -2.739 -4.209 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2y 1
. 17 . 3012 . 1 1 1 QUA C14 C -2.474 -4.255 -4.373 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2y 1
. 17 . 3013 . 1 1 1 QUA C2 C -1.463 -1.734 -0.675 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2y 1
. 17 . 3014 . 1 1 1 QUA C3 C -1.367 -2.041 -2.028 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2y 1
. 17 . 3015 . 1 1 1 QUA C4 C -2.525 -2.385 -2.727 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2y 1
. 17 . 3016 . 1 1 1 QUA C5 C -5.022 -2.751 -2.697 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2y 1
. 17 . 3017 . 1 1 1 QUA C6 C -6.057 -3.110 -2.015 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2y 1
. 17 . 3018 . 1 1 1 QUA C7 C -6.001 -3.217 -0.492 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2y 1
. 17 . 3019 . 1 1 1 QUA C8 C -5.054 -2.132 0.092 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2y 1
. 17 . 3020 . 1 1 1 QUA C9 C -3.746 -2.094 -0.691 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2y 1
. 17 . 3021 . 1 1 1 QUA H13 H -3.306 -2.329 -4.724 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2y 1
. 17 . 3022 . 1 1 1 QUA H141 H -1.506 -4.658 -4.119 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2y 1
. 17 . 3023 . 1 1 1 QUA H142 H -2.711 -4.505 -5.396 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2y 1
. 17 . 3024 . 1 1 1 QUA H143 H -3.223 -4.681 -3.714 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2y 1
. 17 . 3025 . 1 1 1 QUA H15 H -1.389 -2.130 -5.759 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2y 1
. 17 . 3026 . 1 1 1 QUA H16 H -5.052 -0.165 -0.065 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2y 1
. 17 . 3027 . 1 1 1 QUA HC3 H -0.411 -2.011 -2.530 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2y 1
. 17 . 3028 . 1 1 1 QUA HC5 H -5.102 -2.690 -3.770 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2y 1
. 17 . 3029 . 1 1 1 QUA HC6 H -6.972 -3.345 -2.533 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2y 1
. 17 . 3030 . 1 1 1 QUA HC71 H -6.988 -3.104 -0.074 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2y 1
. 17 . 3031 . 1 1 1 QUA HC8 H -4.848 -2.383 1.122 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2y 1
. 17 . 3032 . 1 1 1 QUA N1 N -2.636 -1.755 0.019 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2y 1
. 17 . 3033 . 1 1 1 QUA O12 O 0.908 -1.374 -0.503 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2y 1
. 17 . 3034 . 1 1 1 QUA O15 O -1.260 -2.213 -4.811 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2y 1
. 17 . 3035 . 1 1 1 QUA O16 O -5.707 -0.857 0.056 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2y 1
. 17 . 3036 . 1 1 2 ILE C C -4.429 -5.121 1.953 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2y 1
. 17 . 3037 . 1 1 2 ILE CA C -5.734 -5.071 1.164 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2y 1
. 17 . 3038 . 1 1 2 ILE CB C -6.396 -6.472 1.170 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2y 1
. 17 . 3039 . 1 1 2 ILE CD1 C -5.183 -7.274 -0.976 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2y 1
. 17 . 3040 . 1 1 2 ILE CG1 C -5.506 -7.538 0.489 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2y 1
. 17 . 3041 . 1 1 2 ILE CG2 C -7.764 -6.411 0.505 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2y 1
. 17 . 3042 . 1 1 2 ILE H H -4.537 -4.629 -0.415 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2y 1
. 17 . 3043 . 1 1 2 ILE HA H -6.407 -4.376 1.648 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2y 1
. 17 . 3044 . 1 1 2 ILE HB H -6.548 -6.758 2.201 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2y 1
. 17 . 3045 . 1 1 2 ILE HD11 H -4.785 -8.175 -1.422 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2y 1
. 17 . 3046 . 1 1 2 ILE HD12 H -4.446 -6.485 -1.052 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2y 1
. 17 . 3047 . 1 1 2 ILE HD13 H -6.079 -6.981 -1.501 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2y 1
. 17 . 3048 . 1 1 2 ILE HG12 H -4.571 -7.609 1.021 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2y 1
. 17 . 3049 . 1 1 2 ILE HG13 H -6.009 -8.493 0.545 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2y 1
. 17 . 3050 . 1 1 2 ILE HG21 H -8.430 -5.812 1.110 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2y 1
. 17 . 3051 . 1 1 2 ILE HG22 H -8.163 -7.409 0.409 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2y 1
. 17 . 3052 . 1 1 2 ILE HG23 H -7.669 -5.965 -0.474 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2y 1
. 17 . 3053 . 1 1 2 ILE N N -5.496 -4.594 -0.221 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2y 1
. 17 . 3054 . 1 1 2 ILE O O -4.397 -4.825 3.147 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2y 1
. 17 . 3055 . 1 1 3 ALA C C -0.956 -5.765 0.809 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2y 1
. 17 . 3056 . 1 1 3 ALA CA C -2.031 -5.576 1.874 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2y 1
. 17 . 3057 . 1 1 3 ALA CB C -1.974 -6.713 2.886 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2y 1
. 17 . 3058 . 1 1 3 ALA H H -3.453 -5.730 0.318 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2y 1
. 17 . 3059 . 1 1 3 ALA HA H -1.849 -4.648 2.397 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2y 1
. 17 . 3060 . 1 1 3 ALA HB1 H -0.981 -6.767 3.310 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2y 1
. 17 . 3061 . 1 1 3 ALA HB2 H -2.206 -7.645 2.395 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2y 1
. 17 . 3062 . 1 1 3 ALA HB3 H -2.691 -6.532 3.673 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2y 1
. 17 . 3063 . 1 1 3 ALA N N -3.354 -5.498 1.265 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2y 1
. 17 . 3064 . 1 1 3 ALA O O -0.987 -6.736 0.053 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2y 1
. 17 . 3065 . 1 1 4 DHA C C 2.173 -3.906 0.304 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2y 1
. 17 . 3066 . 1 1 4 DHA CA C 1.136 -4.799 -0.155 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2y 1
. 17 . 3067 . 1 1 4 DHA CB C 1.262 -5.492 -1.276 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2y 1
. 17 . 3068 . 1 1 4 DHA H H -0.063 -4.106 1.421 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2y 1
. 17 . 3069 . 1 1 4 DHA HB1 H 0.478 -6.161 -1.591 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2y 1
. 17 . 3070 . 1 1 4 DHA HB2 H 2.158 -5.394 -1.871 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2y 1
. 17 . 3071 . 1 1 4 DHA N N -0.004 -4.833 0.765 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2y 1
. 17 . 3072 . 1 1 4 DHA O O 1.977 -3.325 1.369 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2y 1
. 17 . 3073 . 1 1 5 ALA C C 4.534 -1.757 -1.102 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2y 1
. 17 . 3074 . 1 1 5 ALA CA C 4.297 -2.799 -0.019 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2y 1
. 17 . 3075 . 1 1 5 ALA CB C 5.568 -3.561 0.299 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2y 1
. 17 . 3076 . 1 1 5 ALA H H 3.368 -4.236 -1.257 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2y 1
. 17 . 3077 . 1 1 5 ALA HA H 3.970 -2.299 0.881 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2y 1
. 17 . 3078 . 1 1 5 ALA HB1 H 6.305 -2.884 0.701 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2y 1
. 17 . 3079 . 1 1 5 ALA HB2 H 5.946 -4.021 -0.601 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2y 1
. 17 . 3080 . 1 1 5 ALA HB3 H 5.344 -4.327 1.029 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2y 1
. 17 . 3081 . 1 1 5 ALA N N 3.260 -3.730 -0.425 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2y 1
. 17 . 3082 . 1 1 5 ALA O O 4.955 -2.090 -2.209 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2y 1
. 17 . 3083 . 1 1 6 SER C C 3.253 0.443 -2.794 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2y 1
. 17 . 3084 . 1 1 6 SER CA C 4.305 0.607 -1.799 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2y 1
. 17 . 3085 . 1 1 6 SER CB C 5.722 0.707 -2.432 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2y 1
. 17 . 3086 . 1 1 6 SER H H 4.005 -0.286 0.152 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2y 1
. 17 . 3087 . 1 1 6 SER HB2 H 5.915 -0.165 -3.038 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2y 1
. 17 . 3088 . 1 1 6 SER HB3 H 5.780 1.592 -3.048 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2y 1
. 17 . 3089 . 1 1 6 SER N N 4.251 -0.492 -0.773 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2y 1
. 17 . 3090 . 1 1 7 . C C -0.125 0.803 -3.904 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2y 1
. 17 . 3091 . 1 1 7 . CA C 1.288 0.504 -3.781 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2y 1
. 17 . 3092 . 1 1 7 . CB C 2.033 -0.120 -4.824 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2y 1
. 17 . 3093 . 1 1 7 . HB H 1.642 -0.430 -5.781 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2y 1
. 17 . 3094 . 1 1 7 . N N 2.010 0.795 -2.679 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2y 1
. 17 . 3095 . 1 1 7 . O O -0.798 0.581 -4.912 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2y 1
. 17 . 3096 . 1 1 7 . SG S 3.626 -0.291 -4.309 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2y 1
. 17 . 3097 . 1 1 8 THR C C -1.861 3.444 -2.617 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2y 1
. 17 . 3098 . 1 1 8 THR CA C -1.969 1.935 -2.782 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2y 1
. 17 . 3099 . 1 1 8 THR CB C -2.871 1.362 -1.668 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2y 1
. 17 . 3100 . 1 1 8 THR CG2 C -2.244 1.542 -0.294 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2y 1
. 17 . 3101 . 1 1 8 THR H H -0.125 1.296 -1.960 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2y 1
. 17 . 3102 . 1 1 8 THR HA H -2.437 1.726 -3.734 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2y 1
. 17 . 3103 . 1 1 8 THR HB H -3.008 0.307 -1.848 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2y 1
. 17 . 3104 . 1 1 8 THR HG1 H -4.804 1.405 -2.062 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2y 1
. 17 . 3105 . 1 1 8 THR HG21 H -2.207 2.593 -0.046 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2y 1
. 17 . 3106 . 1 1 8 THR HG22 H -1.242 1.140 -0.301 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2y 1
. 17 . 3107 . 1 1 8 THR HG23 H -2.836 1.019 0.443 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2y 1
. 17 . 3108 . 1 1 8 THR N N -0.643 1.327 -2.792 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2y 1
. 17 . 3109 . 1 1 8 THR O O -0.807 3.965 -2.250 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2y 1
. 17 . 3110 . 1 1 8 THR OG1 O -4.150 2.006 -1.695 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2y 1
. 17 . 3111 . 1 1 9 DBU C C -3.463 6.240 -1.663 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2y 1
. 17 . 3112 . 1 1 9 DBU CA C -3.033 5.599 -2.924 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2y 1
. 17 . 3113 . 1 1 9 DBU CB C -2.743 6.322 -3.994 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2y 1
. 17 . 3114 . 1 1 9 DBU CG C -2.286 5.683 -5.312 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2y 1
. 17 . 3115 . 1 1 9 DBU HG1 H -3.130 5.221 -5.800 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2y 1
. 17 . 3116 . 1 1 9 DBU HG2 H -1.537 4.928 -5.102 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2y 1
. 17 . 3117 . 1 1 9 DBU HG3 H -1.865 6.440 -5.956 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2y 1
. 17 . 3118 . 1 1 9 DBU N N -2.953 4.141 -2.889 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2y 1
. 17 . 3119 . 1 1 10 CYS C C -4.731 5.685 1.608 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . rr_2l2y 1
. 17 . 3120 . 1 1 10 CYS CA C -3.951 6.453 0.565 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . rr_2l2y 1
. 17 . 3121 . 1 1 10 CYS CB C -4.805 7.558 -0.050 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . rr_2l2y 1
. 17 . 3122 . 1 1 10 CYS HA H -3.090 6.910 1.037 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . rr_2l2y 1
. 17 . 3123 . 1 1 10 CYS HB2 H -5.825 7.214 -0.190 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB2 . . . . . . . . . rr_2l2y 1
. 17 . 3124 . 1 1 10 CYS HB3 H -4.778 8.446 0.557 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . rr_2l2y 1
. 17 . 3125 . 1 1 10 CYS N N -3.480 5.602 -0.528 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . rr_2l2y 1
. 17 . 3126 . 1 1 10 CYS O O -5.565 6.285 2.287 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . rr_2l2y 1
. 17 . 3127 . 1 1 10 CYS SG S -4.001 7.886 -1.625 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . rr_2l2y 1
. 17 . 3128 . 1 1 11 . C C -3.975 3.038 3.706 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2y 1
. 17 . 3129 . 1 1 11 . CA C -5.075 3.572 2.787 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2y 1
. 17 . 3130 . 1 1 11 . CB C -5.919 2.399 2.176 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2y 1
. 17 . 3131 . 1 1 11 . CD1 C -7.697 2.003 0.305 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2y 1
. 17 . 3132 . 1 1 11 . CG1 C -6.899 3.014 1.116 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2y 1
. 17 . 3133 . 1 1 11 . CG2 C -6.683 1.686 3.246 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2y 1
. 17 . 3134 . 1 1 11 . H H -3.851 3.960 1.107 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2y 1
. 17 . 3135 . 1 1 11 . HA H -5.730 4.210 3.360 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2y 1
. 17 . 3136 . 1 1 11 . HD11 H -8.267 2.518 -0.454 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2y 1
. 17 . 3137 . 1 1 11 . HD12 H -8.372 1.468 0.958 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2y 1
. 17 . 3138 . 1 1 11 . HD13 H -7.022 1.304 -0.165 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2y 1
. 17 . 3139 . 1 1 11 . HD2 H -7.323 4.600 2.212 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2y 1
. 17 . 3140 . 1 1 11 . HG1 H -6.337 3.625 0.427 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2y 1
. 17 . 3141 . 1 1 11 . HG21 H -7.332 2.385 3.751 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2y 1
. 17 . 3142 . 1 1 11 . HG22 H -5.994 1.256 3.957 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2y 1
. 17 . 3143 . 1 1 11 . HG23 H -7.278 0.900 2.804 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2y 1
. 17 . 3144 . 1 1 11 . HG3 H -5.118 1.604 0.575 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2y 1
. 17 . 3145 . 1 1 11 . N N -4.470 4.384 1.737 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2y 1
. 17 . 3146 . 1 1 11 . OD2 O -7.803 3.854 1.844 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2y 1
. 17 . 3147 . 1 1 11 . OG3 O -5.050 1.489 1.527 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2y 1
. 17 . 3148 . 1 1 12 . C C -0.791 1.491 4.185 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2y 1
. 17 . 3149 . 1 1 12 . CA C -2.089 2.122 4.344 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2y 1
. 17 . 3150 . 1 1 12 . CB C -2.649 2.401 5.631 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2y 1
. 17 . 3151 . 1 1 12 . HB H -2.186 2.180 6.582 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2y 1
. 17 . 3152 . 1 1 12 . N N -2.869 2.497 3.306 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2y 1
. 17 . 3153 . 1 1 12 . O O -0.067 1.143 5.117 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2y 1
. 17 . 3154 . 1 1 12 . SG S -4.152 3.131 5.414 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2y 1
. 17 . 3155 . 1 1 13 THR C C 1.443 1.501 1.355 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2y 1
. 17 . 3156 . 1 1 13 THR CA C 0.838 0.735 2.530 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2y 1
. 17 . 3157 . 1 1 13 THR CB C 0.716 -0.767 2.202 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2y 1
. 17 . 3158 . 1 1 13 THR CG2 C 0.456 -1.585 3.453 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2y 1
. 17 . 3159 . 1 1 13 THR H H -1.081 1.576 2.204 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2y 1
. 17 . 3160 . 1 1 13 THR HA H 1.497 0.831 3.380 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2y 1
. 17 . 3161 . 1 1 13 THR HB H 1.633 -1.111 1.743 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2y 1
. 17 . 3162 . 1 1 13 THR HG21 H 1.249 -1.418 4.165 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2y 1
. 17 . 3163 . 1 1 13 THR HG22 H 0.419 -2.633 3.194 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2y 1
. 17 . 3164 . 1 1 13 THR HG23 H -0.487 -1.288 3.886 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2y 1
. 17 . 3165 . 1 1 13 THR N N -0.452 1.313 2.907 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2y 1
. 17 . 3166 . 1 1 13 THR OG1 O -0.437 -1.014 1.300 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2y 1
. 17 . 3167 . 1 1 14 . C C 4.142 1.942 -0.986 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2y 1
. 17 . 3168 . 1 1 14 . CA C 2.857 2.085 -0.217 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2y 1
. 17 . 3169 . 1 1 14 . CB C 1.841 3.064 -0.450 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2y 1
. 17 . 3170 . 1 1 14 . HB H 1.864 3.827 -1.213 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2y 1
. 17 . 3171 . 1 1 14 . N N 2.586 1.237 0.802 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2y 1
. 17 . 3172 . 1 1 14 . SG S 0.600 2.828 0.663 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2y 1
. 17 . 3173 . 1 1 15 . C C 7.345 1.778 0.898 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2y 1
. 17 . 3174 . 1 1 15 . CA C 6.350 1.571 -0.175 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2y 1
. 17 . 3175 . 1 1 15 . CB C 6.790 0.791 -1.345 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2y 1
. 17 . 3176 . 1 1 15 . HB2 H 7.034 -0.209 -1.027 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2y 1
. 17 . 3177 . 1 1 15 . HB3 H 7.673 1.248 -1.770 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2y 1
. 17 . 3178 . 1 1 15 . N N 5.193 2.097 0.031 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2y 1
. 17 . 3179 . 1 1 16 . C C 10.640 1.276 2.153 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2y 1
. 17 . 3180 . 1 1 16 . CA C 9.257 1.655 1.952 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2y 1
. 17 . 3181 . 1 1 16 . CB C 8.518 2.414 2.915 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2y 1
. 17 . 3182 . 1 1 16 . HB H 8.896 2.772 3.861 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2y 1
. 17 . 3183 . 1 1 16 . N N 8.553 1.328 0.846 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2y 1
. 17 . 3184 . 1 1 16 . O O 11.302 1.562 3.150 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2y 1
. 17 . 3185 . 1 1 16 . SG S 6.958 2.655 2.324 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2y 1
. 17 . 3186 . 1 1 17 DHA C C 12.666 -0.806 -0.173 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2y 1
. 17 . 3187 . 1 1 17 DHA CA C 12.497 0.047 0.993 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2y 1
. 17 . 3188 . 1 1 17 DHA CB C 13.510 0.298 1.810 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2y 1
. 17 . 3189 . 1 1 17 DHA H H 10.496 0.363 0.405 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2y 1
. 17 . 3190 . 1 1 17 DHA HB1 H 14.480 -0.134 1.616 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2y 1
. 17 . 3191 . 1 1 17 DHA HB2 H 13.369 0.934 2.670 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2y 1
. 17 . 3192 . 1 1 17 DHA N N 11.124 0.565 1.130 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2y 1
. 17 . 3193 . 1 1 17 DHA O O 11.682 -0.992 -0.887 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2y 1
. 17 . 3194 . 1 1 18 NH2 HN1 H 13.960 -1.923 -1.212 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . rr_2l2y 1
. 17 . 3195 . 1 1 18 NH2 HN2 H 14.603 -1.168 0.177 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . rr_2l2y 1
. 17 . 3196 . 1 1 18 NH2 N N 13.853 -1.349 -0.425 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . rr_2l2y 1
. 18 . 3197 . 1 1 1 QUA C10 C -3.702 -2.421 -2.028 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2y 1
. 18 . 3198 . 1 1 1 QUA C11 C -0.172 -1.353 0.066 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2y 1
. 18 . 3199 . 1 1 1 QUA C13 C -2.383 -2.813 -4.168 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2y 1
. 18 . 3200 . 1 1 1 QUA C14 C -2.430 -4.332 -4.294 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2y 1
. 18 . 3201 . 1 1 1 QUA C2 C -1.433 -1.728 -0.649 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2y 1
. 18 . 3202 . 1 1 1 QUA C3 C -1.322 -2.069 -1.992 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2y 1
. 18 . 3203 . 1 1 1 QUA C4 C -2.474 -2.421 -2.697 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2y 1
. 18 . 3204 . 1 1 1 QUA C5 C -4.972 -2.764 -2.692 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2y 1
. 18 . 3205 . 1 1 1 QUA C6 C -6.019 -3.099 -2.014 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2y 1
. 18 . 3206 . 1 1 1 QUA C7 C -5.981 -3.171 -0.489 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2y 1
. 18 . 3207 . 1 1 1 QUA C8 C -5.038 -2.077 0.080 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2y 1
. 18 . 3208 . 1 1 1 QUA C9 C -3.719 -2.069 -0.685 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2y 1
. 18 . 3209 . 1 1 1 QUA H13 H -3.221 -2.400 -4.706 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2y 1
. 18 . 3210 . 1 1 1 QUA H141 H -3.203 -4.727 -3.644 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2y 1
. 18 . 3211 . 1 1 1 QUA H142 H -1.475 -4.748 -4.009 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2y 1
. 18 . 3212 . 1 1 1 QUA H143 H -2.650 -4.603 -5.316 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2y 1
. 18 . 3213 . 1 1 1 QUA H15 H -0.416 -2.702 -4.301 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2y 1
. 18 . 3214 . 1 1 1 QUA H16 H -6.101 -0.596 0.837 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2y 1
. 18 . 3215 . 1 1 1 QUA HC3 H -0.360 -2.060 -2.482 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2y 1
. 18 . 3216 . 1 1 1 QUA HC5 H -5.039 -2.728 -3.767 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2y 1
. 18 . 3217 . 1 1 1 QUA HC6 H -6.930 -3.339 -2.537 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2y 1
. 18 . 3218 . 1 1 1 QUA HC71 H -6.973 -3.047 -0.085 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2y 1
. 18 . 3219 . 1 1 1 QUA HC8 H -4.848 -2.300 1.119 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2y 1
. 18 . 3220 . 1 1 1 QUA N1 N -2.614 -1.721 0.031 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2y 1
. 18 . 3221 . 1 1 1 QUA O12 O 0.933 -1.347 -0.477 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2y 1
. 18 . 3222 . 1 1 1 QUA O15 O -1.170 -2.325 -4.760 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2y 1
. 18 . 3223 . 1 1 1 QUA O16 O -5.682 -0.799 -0.003 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2y 1
. 18 . 3224 . 1 1 2 ILE C C -4.407 -5.081 1.983 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2y 1
. 18 . 3225 . 1 1 2 ILE CA C -5.722 -4.983 1.213 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2y 1
. 18 . 3226 . 1 1 2 ILE CB C -6.442 -6.353 1.251 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2y 1
. 18 . 3227 . 1 1 2 ILE CD1 C -5.313 -7.220 -0.916 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2y 1
. 18 . 3228 . 1 1 2 ILE CG1 C -5.617 -7.461 0.556 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2y 1
. 18 . 3229 . 1 1 2 ILE CG2 C -7.825 -6.240 0.624 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2y 1
. 18 . 3230 . 1 1 2 ILE H H -4.525 -4.589 -0.380 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2y 1
. 18 . 3231 . 1 1 2 ILE HA H -6.355 -4.251 1.693 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2y 1
. 18 . 3232 . 1 1 2 ILE HB H -6.578 -6.623 2.289 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2y 1
. 18 . 3233 . 1 1 2 ILE HD11 H -4.528 -6.481 -1.011 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2y 1
. 18 . 3234 . 1 1 2 ILE HD12 H -6.200 -6.866 -1.417 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2y 1
. 18 . 3235 . 1 1 2 ILE HD13 H -4.990 -8.144 -1.370 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2y 1
. 18 . 3236 . 1 1 2 ILE HG12 H -4.674 -7.570 1.069 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2y 1
. 18 . 3237 . 1 1 2 ILE HG13 H -6.161 -8.393 0.630 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2y 1
. 18 . 3238 . 1 1 2 ILE HG21 H -8.272 -7.221 0.559 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2y 1
. 18 . 3239 . 1 1 2 ILE HG22 H -7.740 -5.816 -0.365 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2y 1
. 18 . 3240 . 1 1 2 ILE HG23 H -8.446 -5.603 1.237 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2y 1
. 18 . 3241 . 1 1 2 ILE N N -5.484 -4.542 -0.184 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2y 1
. 18 . 3242 . 1 1 2 ILE O O -4.354 -4.805 3.181 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2y 1
. 18 . 3243 . 1 1 3 ALA C C -0.956 -5.803 0.809 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2y 1
. 18 . 3244 . 1 1 3 ALA CA C -2.029 -5.622 1.880 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2y 1
. 18 . 3245 . 1 1 3 ALA CB C -2.014 -6.799 2.844 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2y 1
. 18 . 3246 . 1 1 3 ALA H H -3.461 -5.674 0.323 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2y 1
. 18 . 3247 . 1 1 3 ALA HA H -1.816 -4.723 2.441 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2y 1
. 18 . 3248 . 1 1 3 ALA HB1 H -2.298 -7.699 2.318 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2y 1
. 18 . 3249 . 1 1 3 ALA HB2 H -2.712 -6.617 3.648 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2y 1
. 18 . 3250 . 1 1 3 ALA HB3 H -1.020 -6.919 3.252 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2y 1
. 18 . 3251 . 1 1 3 ALA N N -3.348 -5.476 1.277 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2y 1
. 18 . 3252 . 1 1 3 ALA O O -0.978 -6.780 0.060 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2y 1
. 18 . 3253 . 1 1 4 DHA C C 2.146 -3.899 0.280 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2y 1
. 18 . 3254 . 1 1 4 DHA CA C 1.123 -4.815 -0.168 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2y 1
. 18 . 3255 . 1 1 4 DHA CB C 1.261 -5.522 -1.279 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2y 1
. 18 . 3256 . 1 1 4 DHA H H -0.087 -4.123 1.400 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2y 1
. 18 . 3257 . 1 1 4 DHA HB1 H 0.487 -6.206 -1.585 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2y 1
. 18 . 3258 . 1 1 4 DHA HB2 H 2.154 -5.418 -1.877 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2y 1
. 18 . 3259 . 1 1 4 DHA N N -0.018 -4.856 0.753 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2y 1
. 18 . 3260 . 1 1 4 DHA O O 1.941 -3.309 1.337 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2y 1
. 18 . 3261 . 1 1 5 ALA C C 4.496 -1.726 -1.132 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2y 1
. 18 . 3262 . 1 1 5 ALA CA C 4.262 -2.769 -0.048 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2y 1
. 18 . 3263 . 1 1 5 ALA CB C 5.537 -3.519 0.276 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2y 1
. 18 . 3264 . 1 1 5 ALA H H 3.345 -4.218 -1.283 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2y 1
. 18 . 3265 . 1 1 5 ALA HA H 3.928 -2.270 0.851 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2y 1
. 18 . 3266 . 1 1 5 ALA HB1 H 6.252 -2.843 0.719 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2y 1
. 18 . 3267 . 1 1 5 ALA HB2 H 5.946 -3.939 -0.630 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2y 1
. 18 . 3268 . 1 1 5 ALA HB3 H 5.311 -4.315 0.972 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2y 1
. 18 . 3269 . 1 1 5 ALA N N 3.232 -3.711 -0.453 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2y 1
. 18 . 3270 . 1 1 5 ALA O O 4.885 -2.060 -2.251 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2y 1
. 18 . 3271 . 1 1 6 SER C C 3.254 0.483 -2.810 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2y 1
. 18 . 3272 . 1 1 6 SER CA C 4.300 0.646 -1.808 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2y 1
. 18 . 3273 . 1 1 6 SER CB C 5.719 0.756 -2.439 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2y 1
. 18 . 3274 . 1 1 6 SER H H 4.029 -0.252 0.144 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2y 1
. 18 . 3275 . 1 1 6 SER HB2 H 5.918 -0.116 -3.040 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2y 1
. 18 . 3276 . 1 1 6 SER HB3 H 5.769 1.640 -3.060 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2y 1
. 18 . 3277 . 1 1 6 SER N N 4.248 -0.459 -0.789 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2y 1
. 18 . 3278 . 1 1 7 . C C -0.122 0.806 -3.935 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2y 1
. 18 . 3279 . 1 1 7 . CA C 1.294 0.528 -3.806 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2y 1
. 18 . 3280 . 1 1 7 . CB C 2.055 -0.066 -4.855 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2y 1
. 18 . 3281 . 1 1 7 . HB H 1.674 -0.367 -5.820 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2y 1
. 18 . 3282 . 1 1 7 . N N 2.006 0.813 -2.695 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2y 1
. 18 . 3283 . 1 1 7 . O O -0.783 0.586 -4.950 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2y 1
. 18 . 3284 . 1 1 7 . SG S 3.646 -0.220 -4.335 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2y 1
. 18 . 3285 . 1 1 8 THR C C -1.874 3.420 -2.659 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2y 1
. 18 . 3286 . 1 1 8 THR CA C -1.981 1.912 -2.821 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2y 1
. 18 . 3287 . 1 1 8 THR CB C -2.885 1.338 -1.711 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2y 1
. 18 . 3288 . 1 1 8 THR CG2 C -2.265 1.521 -0.333 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2y 1
. 18 . 3289 . 1 1 8 THR H H -0.144 1.275 -1.986 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2y 1
. 18 . 3290 . 1 1 8 THR HA H -2.443 1.701 -3.776 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2y 1
. 18 . 3291 . 1 1 8 THR HB H -3.017 0.282 -1.891 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2y 1
. 18 . 3292 . 1 1 8 THR HG1 H -4.823 1.400 -1.342 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2y 1
. 18 . 3293 . 1 1 8 THR HG21 H -2.841 0.973 0.397 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2y 1
. 18 . 3294 . 1 1 8 THR HG22 H -2.263 2.569 -0.074 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2y 1
. 18 . 3295 . 1 1 8 THR HG23 H -1.253 1.151 -0.344 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2y 1
. 18 . 3296 . 1 1 8 THR N N -0.653 1.312 -2.823 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2y 1
. 18 . 3297 . 1 1 8 THR O O -0.805 3.946 -2.349 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2y 1
. 18 . 3298 . 1 1 8 THR OG1 O -4.168 1.975 -1.744 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2y 1
. 18 . 3299 . 1 1 9 DBU C C -3.418 6.206 -1.616 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2y 1
. 18 . 3300 . 1 1 9 DBU CA C -3.063 5.567 -2.901 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2y 1
. 18 . 3301 . 1 1 9 DBU CB C -2.836 6.288 -3.985 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2y 1
. 18 . 3302 . 1 1 9 DBU CG C -2.457 5.643 -5.327 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2y 1
. 18 . 3303 . 1 1 9 DBU HG1 H -3.341 5.236 -5.794 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2y 1
. 18 . 3304 . 1 1 9 DBU HG2 H -1.743 4.846 -5.150 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2y 1
. 18 . 3305 . 1 1 9 DBU HG3 H -2.014 6.386 -5.974 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2y 1
. 18 . 3306 . 1 1 9 DBU N N -2.981 4.110 -2.870 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2y 1
. 18 . 3307 . 1 1 10 CYS C C -4.578 5.646 1.691 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . rr_2l2y 1
. 18 . 3308 . 1 1 10 CYS CA C -3.801 6.401 0.637 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . rr_2l2y 1
. 18 . 3309 . 1 1 10 CYS CB C -4.628 7.554 0.078 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . rr_2l2y 1
. 18 . 3310 . 1 1 10 CYS HA H -2.904 6.808 1.085 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . rr_2l2y 1
. 18 . 3311 . 1 1 10 CYS HB2 H -5.668 7.260 -0.015 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB2 . . . . . . . . . rr_2l2y 1
. 18 . 3312 . 1 1 10 CYS HB3 H -4.530 8.430 0.694 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . rr_2l2y 1
. 18 . 3313 . 1 1 10 CYS N N -3.409 5.553 -0.488 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . rr_2l2y 1
. 18 . 3314 . 1 1 10 CYS O O -5.249 6.286 2.502 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . rr_2l2y 1
. 18 . 3315 . 1 1 10 CYS SG S -3.891 7.870 -1.534 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . rr_2l2y 1
. 18 . 3316 . 1 1 11 . C C -4.055 2.939 3.643 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2y 1
. 18 . 3317 . 1 1 11 . CA C -5.129 3.499 2.709 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2y 1
. 18 . 3318 . 1 1 11 . CB C -5.971 2.348 2.056 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2y 1
. 18 . 3319 . 1 1 11 . CD1 C -7.695 2.011 0.120 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2y 1
. 18 . 3320 . 1 1 11 . CG1 C -6.863 2.990 0.937 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2y 1
. 18 . 3321 . 1 1 11 . CG2 C -6.821 1.665 3.083 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2y 1
. 18 . 3322 . 1 1 11 . H H -3.988 3.877 0.971 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2y 1
. 18 . 3323 . 1 1 11 . HA H -5.791 4.138 3.277 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2y 1
. 18 . 3324 . 1 1 11 . HD11 H -7.050 1.255 -0.302 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2y 1
. 18 . 3325 . 1 1 11 . HD12 H -8.195 2.542 -0.677 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2y 1
. 18 . 3326 . 1 1 11 . HD13 H -8.430 1.543 0.756 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2y 1
. 18 . 3327 . 1 1 11 . HD2 H -8.623 3.546 1.635 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2y 1
. 18 . 3328 . 1 1 11 . HG1 H -6.235 3.541 0.255 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2y 1
. 18 . 3329 . 1 1 11 . HG21 H -7.503 2.379 3.519 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2y 1
. 18 . 3330 . 1 1 11 . HG22 H -6.190 1.251 3.854 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2y 1
. 18 . 3331 . 1 1 11 . HG23 H -7.383 0.871 2.615 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2y 1
. 18 . 3332 . 1 1 11 . HG3 H -4.836 0.753 2.118 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2y 1
. 18 . 3333 . 1 1 11 . N N -4.493 4.318 1.685 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2y 1
. 18 . 3334 . 1 1 11 . OD2 O -7.736 3.913 1.601 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2y 1
. 18 . 3335 . 1 1 11 . OG3 O -5.093 1.408 1.465 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2y 1
. 18 . 3336 . 1 1 12 . C C -0.857 1.440 4.164 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2y 1
. 18 . 3337 . 1 1 12 . CA C -2.173 2.032 4.306 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2y 1
. 18 . 3338 . 1 1 12 . CB C -2.790 2.228 5.582 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2y 1
. 18 . 3339 . 1 1 12 . HB H -2.360 1.966 6.538 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2y 1
. 18 . 3340 . 1 1 12 . N N -2.922 2.447 3.259 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2y 1
. 18 . 3341 . 1 1 12 . O O -0.157 1.068 5.105 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2y 1
. 18 . 3342 . 1 1 12 . SG S -4.300 2.937 5.344 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2y 1
. 18 . 3343 . 1 1 13 THR C C 1.431 1.530 1.352 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2y 1
. 18 . 3344 . 1 1 13 THR CA C 0.834 0.770 2.534 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2y 1
. 18 . 3345 . 1 1 13 THR CB C 0.742 -0.738 2.223 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2y 1
. 18 . 3346 . 1 1 13 THR CG2 C 0.510 -1.551 3.483 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2y 1
. 18 . 3347 . 1 1 13 THR H H -1.078 1.619 2.181 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2y 1
. 18 . 3348 . 1 1 13 THR HA H 1.484 0.890 3.388 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2y 1
. 18 . 3349 . 1 1 13 THR HB H 1.664 -1.067 1.760 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2y 1
. 18 . 3350 . 1 1 13 THR HG21 H 1.273 -1.316 4.210 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2y 1
. 18 . 3351 . 1 1 13 THR HG22 H 0.552 -2.603 3.245 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2y 1
. 18 . 3352 . 1 1 13 THR HG23 H -0.461 -1.313 3.891 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2y 1
. 18 . 3353 . 1 1 13 THR N N -0.472 1.325 2.893 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2y 1
. 18 . 3354 . 1 1 13 THR OG1 O -0.411 -1.015 1.332 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2y 1
. 18 . 3355 . 1 1 14 . C C 4.132 1.974 -0.987 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2y 1
. 18 . 3356 . 1 1 14 . CA C 2.841 2.111 -0.224 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2y 1
. 18 . 3357 . 1 1 14 . CB C 1.813 3.075 -0.472 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2y 1
. 18 . 3358 . 1 1 14 . HB H 1.829 3.828 -1.244 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2y 1
. 18 . 3359 . 1 1 14 . N N 2.578 1.274 0.805 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2y 1
. 18 . 3360 . 1 1 14 . SG S 0.573 2.838 0.640 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2y 1
. 18 . 3361 . 1 1 15 . C C 7.325 1.790 0.913 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2y 1
. 18 . 3362 . 1 1 15 . CA C 6.336 1.604 -0.169 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2y 1
. 18 . 3363 . 1 1 15 . CB C 6.789 0.855 -1.354 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2y 1
. 18 . 3364 . 1 1 15 . HB2 H 7.061 -0.144 -1.052 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2y 1
. 18 . 3365 . 1 1 15 . HB3 H 7.656 1.342 -1.777 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2y 1
. 18 . 3366 . 1 1 15 . N N 5.173 2.115 0.041 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2y 1
. 18 . 3367 . 1 1 16 . C C 10.630 1.302 2.148 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2y 1
. 18 . 3368 . 1 1 16 . CA C 9.239 1.663 1.962 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2y 1
. 18 . 3369 . 1 1 16 . CB C 8.486 2.368 2.955 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2y 1
. 18 . 3370 . 1 1 16 . HB H 8.858 2.694 3.914 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2y 1
. 18 . 3371 . 1 1 16 . N N 8.542 1.366 0.845 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2y 1
. 18 . 3372 . 1 1 16 . O O 11.282 1.549 3.161 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2y 1
. 18 . 3373 . 1 1 16 . SG S 6.920 2.601 2.374 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2y 1
. 18 . 3374 . 1 1 17 DHA C C 12.792 -0.346 -0.396 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2y 1
. 18 . 3375 . 1 1 17 DHA CA C 12.513 0.166 0.937 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2y 1
. 18 . 3376 . 1 1 17 DHA CB C 13.440 0.150 1.885 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2y 1
. 18 . 3377 . 1 1 17 DHA H H 10.534 0.563 0.317 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2y 1
. 18 . 3378 . 1 1 17 DHA HB1 H 14.420 -0.250 1.673 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2y 1
. 18 . 3379 . 1 1 17 DHA HB2 H 13.218 0.533 2.868 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2y 1
. 18 . 3380 . 1 1 17 DHA N N 11.138 0.680 1.081 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2y 1
. 18 . 3381 . 1 1 17 DHA O O 11.884 -0.297 -1.226 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2y 1
. 18 . 3382 . 1 1 18 NH2 HN1 H 14.176 -1.187 -1.571 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . rr_2l2y 1
. 18 . 3383 . 1 1 18 NH2 HN2 H 14.681 -0.859 0.026 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . rr_2l2y 1
. 18 . 3384 . 1 1 18 NH2 N N 13.994 -0.843 -0.672 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . rr_2l2y 1
. 19 . 3385 . 1 1 1 QUA C10 C -3.714 -2.407 -1.997 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2y 1
. 19 . 3386 . 1 1 1 QUA C11 C -0.184 -1.333 0.092 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2y 1
. 19 . 3387 . 1 1 1 QUA C13 C -2.413 -2.693 -4.167 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2y 1
. 19 . 3388 . 1 1 1 QUA C14 C -2.437 -4.207 -4.351 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2y 1
. 19 . 3389 . 1 1 1 QUA C2 C -1.444 -1.710 -0.622 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2y 1
. 19 . 3390 . 1 1 1 QUA C3 C -1.343 -2.003 -1.978 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2y 1
. 19 . 3391 . 1 1 1 QUA C4 C -2.495 -2.356 -2.681 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2y 1
. 19 . 3392 . 1 1 1 QUA C5 C -4.986 -2.757 -2.657 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2y 1
. 19 . 3393 . 1 1 1 QUA C6 C -6.016 -3.135 -1.978 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2y 1
. 19 . 3394 . 1 1 1 QUA C7 C -5.964 -3.250 -0.456 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2y 1
. 19 . 3395 . 1 1 1 QUA C8 C -5.028 -2.162 0.138 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2y 1
. 19 . 3396 . 1 1 1 QUA C9 C -3.720 -2.101 -0.644 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2y 1
. 19 . 3397 . 1 1 1 QUA H13 H -3.264 -2.275 -4.681 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2y 1
. 19 . 3398 . 1 1 1 QUA H141 H -2.652 -4.442 -5.383 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2y 1
. 19 . 3399 . 1 1 1 QUA H142 H -3.200 -4.640 -3.714 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2y 1
. 19 . 3400 . 1 1 1 QUA H143 H -1.474 -4.617 -4.083 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2y 1
. 19 . 3401 . 1 1 1 QUA H15 H -1.408 -1.843 -5.638 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2y 1
. 19 . 3402 . 1 1 1 QUA H16 H -6.531 -0.980 -0.342 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2y 1
. 19 . 3403 . 1 1 1 QUA HC3 H -0.387 -1.955 -2.478 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2y 1
. 19 . 3404 . 1 1 1 QUA HC5 H -5.066 -2.691 -3.729 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2y 1
. 19 . 3405 . 1 1 1 QUA HC6 H -6.929 -3.378 -2.499 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2y 1
. 19 . 3406 . 1 1 1 QUA HC71 H -6.953 -3.148 -0.041 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2y 1
. 19 . 3407 . 1 1 1 QUA HC8 H -4.819 -2.422 1.166 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2y 1
. 19 . 3408 . 1 1 1 QUA N1 N -2.616 -1.753 0.071 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2y 1
. 19 . 3409 . 1 1 1 QUA O12 O 0.917 -1.295 -0.457 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2y 1
. 19 . 3410 . 1 1 1 QUA O15 O -1.217 -2.161 -4.753 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2y 1
. 19 . 3411 . 1 1 1 QUA O16 O -5.693 -0.893 0.115 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2y 1
. 19 . 3412 . 1 1 2 ILE C C -4.438 -5.150 2.008 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2y 1
. 19 . 3413 . 1 1 2 ILE CA C -5.719 -5.124 1.180 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2y 1
. 19 . 3414 . 1 1 2 ILE CB C -6.339 -6.546 1.147 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2y 1
. 19 . 3415 . 1 1 2 ILE CD1 C -5.050 -7.262 -0.986 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2y 1
. 19 . 3416 . 1 1 2 ILE CG1 C -5.405 -7.570 0.463 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2y 1
. 19 . 3417 . 1 1 2 ILE CG2 C -7.697 -6.514 0.461 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2y 1
. 19 . 3418 . 1 1 2 ILE H H -4.485 -4.646 -0.360 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2y 1
. 19 . 3419 . 1 1 2 ILE HA H -6.427 -4.454 1.649 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2y 1
. 19 . 3420 . 1 1 2 ILE HB H -6.500 -6.855 2.170 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2y 1
. 19 . 3421 . 1 1 2 ILE HD11 H -5.936 -6.951 -1.521 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2y 1
. 19 . 3422 . 1 1 2 ILE HD12 H -4.646 -8.148 -1.453 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2y 1
. 19 . 3423 . 1 1 2 ILE HD13 H -4.312 -6.472 -1.023 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2y 1
. 19 . 3424 . 1 1 2 ILE HG12 H -4.480 -7.630 1.016 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2y 1
. 19 . 3425 . 1 1 2 ILE HG13 H -5.883 -8.539 0.483 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2y 1
. 19 . 3426 . 1 1 2 ILE HG21 H -8.392 -5.949 1.063 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2y 1
. 19 . 3427 . 1 1 2 ILE HG22 H -8.062 -7.523 0.341 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2y 1
. 19 . 3428 . 1 1 2 ILE HG23 H -7.600 -6.049 -0.509 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2y 1
. 19 . 3429 . 1 1 2 ILE N N -5.450 -4.624 -0.192 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2y 1
. 19 . 3430 . 1 1 2 ILE O O -4.448 -4.850 3.202 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2y 1
. 19 . 3431 . 1 1 3 ALA C C -0.936 -5.821 0.969 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2y 1
. 19 . 3432 . 1 1 3 ALA CA C -2.034 -5.592 2.002 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2y 1
. 19 . 3433 . 1 1 3 ALA CB C -2.021 -6.709 3.039 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2y 1
. 19 . 3434 . 1 1 3 ALA H H -3.404 -5.731 0.400 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2y 1
. 19 . 3435 . 1 1 3 ALA HA H -1.852 -4.654 2.509 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2y 1
. 19 . 3436 . 1 1 3 ALA HB1 H -2.760 -6.503 3.800 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2y 1
. 19 . 3437 . 1 1 3 ALA HB2 H -1.044 -6.766 3.494 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2y 1
. 19 . 3438 . 1 1 3 ALA HB3 H -2.250 -7.648 2.559 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2y 1
. 19 . 3439 . 1 1 3 ALA N N -3.337 -5.512 1.353 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2y 1
. 19 . 3440 . 1 1 3 ALA O O -0.899 -6.865 0.318 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2y 1
. 19 . 3441 . 1 1 4 DHA C C 2.110 -3.898 0.284 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2y 1
. 19 . 3442 . 1 1 4 DHA CA C 1.071 -4.817 -0.119 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2y 1
. 19 . 3443 . 1 1 4 DHA CB C 1.168 -5.538 -1.224 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2y 1
. 19 . 3444 . 1 1 4 DHA H H -0.111 -4.083 1.449 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2y 1
. 19 . 3445 . 1 1 4 DHA HB1 H 0.379 -6.225 -1.494 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2y 1
. 19 . 3446 . 1 1 4 DHA HB2 H 2.040 -5.448 -1.854 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2y 1
. 19 . 3447 . 1 1 4 DHA N N -0.039 -4.845 0.835 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2y 1
. 19 . 3448 . 1 1 4 DHA O O 1.940 -3.294 1.341 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2y 1
. 19 . 3449 . 1 1 5 ALA C C 4.447 -1.747 -1.183 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2y 1
. 19 . 3450 . 1 1 5 ALA CA C 4.231 -2.800 -0.105 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2y 1
. 19 . 3451 . 1 1 5 ALA CB C 5.504 -3.575 0.166 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2y 1
. 19 . 3452 . 1 1 5 ALA H H 3.245 -4.218 -1.325 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2y 1
. 19 . 3453 . 1 1 5 ALA HA H 3.937 -2.306 0.810 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2y 1
. 19 . 3454 . 1 1 5 ALA HB1 H 5.862 -4.011 -0.754 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2y 1
. 19 . 3455 . 1 1 5 ALA HB2 H 5.293 -4.359 0.879 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2y 1
. 19 . 3456 . 1 1 5 ALA HB3 H 6.252 -2.911 0.570 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2y 1
. 19 . 3457 . 1 1 5 ALA N N 3.171 -3.720 -0.484 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2y 1
. 19 . 3458 . 1 1 5 ALA O O 4.821 -2.071 -2.310 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2y 1
. 19 . 3459 . 1 1 6 SER C C 3.266 0.505 -2.854 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2y 1
. 19 . 3460 . 1 1 6 SER CA C 4.291 0.634 -1.824 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2y 1
. 19 . 3461 . 1 1 6 SER CB C 5.727 0.732 -2.417 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2y 1
. 19 . 3462 . 1 1 6 SER H H 3.959 -0.291 0.104 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2y 1
. 19 . 3463 . 1 1 6 SER HB2 H 5.929 -0.131 -3.032 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2y 1
. 19 . 3464 . 1 1 6 SER HB3 H 5.811 1.627 -3.015 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2y 1
. 19 . 3465 . 1 1 6 SER N N 4.201 -0.485 -0.825 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2y 1
. 19 . 3466 . 1 1 7 . C C -0.094 0.847 -4.029 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2y 1
. 19 . 3467 . 1 1 7 . CA C 1.324 0.577 -3.885 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2y 1
. 19 . 3468 . 1 1 7 . CB C 2.111 0.036 -4.945 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2y 1
. 19 . 3469 . 1 1 7 . HB H 1.751 -0.226 -5.929 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2y 1
. 19 . 3470 . 1 1 7 . N N 2.013 0.818 -2.749 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2y 1
. 19 . 3471 . 1 1 7 . O O -0.737 0.660 -5.062 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2y 1
. 19 . 3472 . 1 1 7 . SG S 3.695 -0.127 -4.400 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2y 1
. 19 . 3473 . 1 1 8 THR C C -1.846 3.429 -2.732 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2y 1
. 19 . 3474 . 1 1 8 THR CA C -1.971 1.923 -2.912 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2y 1
. 19 . 3475 . 1 1 8 THR CB C -2.894 1.343 -1.817 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2y 1
. 19 . 3476 . 1 1 8 THR CG2 C -2.306 1.542 -0.429 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2y 1
. 19 . 3477 . 1 1 8 THR H H -0.159 1.231 -2.063 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2y 1
. 19 . 3478 . 1 1 8 THR HA H -2.424 1.728 -3.874 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2y 1
. 19 . 3479 . 1 1 8 THR HB H -3.008 0.286 -1.993 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2y 1
. 19 . 3480 . 1 1 8 THR HG1 H -4.778 1.530 -1.269 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2y 1
. 19 . 3481 . 1 1 8 THR HG21 H -2.914 1.020 0.296 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2y 1
. 19 . 3482 . 1 1 8 THR HG22 H -2.289 2.596 -0.190 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2y 1
. 19 . 3483 . 1 1 8 THR HG23 H -1.302 1.151 -0.404 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2y 1
. 19 . 3484 . 1 1 8 THR N N -0.649 1.309 -2.909 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2y 1
. 19 . 3485 . 1 1 8 THR O O -0.760 3.941 -2.457 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2y 1
. 19 . 3486 . 1 1 8 THR OG1 O -4.183 1.963 -1.883 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2y 1
. 19 . 3487 . 1 1 9 DBU C C -3.396 6.233 -1.630 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2y 1
. 19 . 3488 . 1 1 9 DBU CA C -3.017 5.595 -2.909 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2y 1
. 19 . 3489 . 1 1 9 DBU CB C -2.751 6.322 -3.980 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2y 1
. 19 . 3490 . 1 1 9 DBU CG C -2.345 5.686 -5.317 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2y 1
. 19 . 3491 . 1 1 9 DBU HG1 H -3.217 5.265 -5.795 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2y 1
. 19 . 3492 . 1 1 9 DBU HG2 H -1.621 4.900 -5.134 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2y 1
. 19 . 3493 . 1 1 9 DBU HG3 H -1.907 6.438 -5.956 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2y 1
. 19 . 3494 . 1 1 9 DBU N N -2.953 4.136 -2.888 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2y 1
. 19 . 3495 . 1 1 10 CYS C C -4.645 5.688 1.649 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . rr_2l2y 1
. 19 . 3496 . 1 1 10 CYS CA C -3.836 6.433 0.610 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . rr_2l2y 1
. 19 . 3497 . 1 1 10 CYS CB C -4.636 7.595 0.031 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . rr_2l2y 1
. 19 . 3498 . 1 1 10 CYS HA H -2.945 6.833 1.079 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . rr_2l2y 1
. 19 . 3499 . 1 1 10 CYS HB2 H -5.676 7.314 -0.090 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB2 . . . . . . . . . rr_2l2y 1
. 19 . 3500 . 1 1 10 CYS HB3 H -4.543 8.472 0.647 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . rr_2l2y 1
. 19 . 3501 . 1 1 10 CYS N N -3.423 5.579 -0.504 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . rr_2l2y 1
. 19 . 3502 . 1 1 10 CYS O O -5.445 6.319 2.340 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . rr_2l2y 1
. 19 . 3503 . 1 1 10 CYS SG S -3.853 7.901 -1.560 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . rr_2l2y 1
. 19 . 3504 . 1 1 11 . C C -4.024 2.988 3.710 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2y 1
. 19 . 3505 . 1 1 11 . CA C -5.092 3.575 2.789 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2y 1
. 19 . 3506 . 1 1 11 . CB C -5.969 2.445 2.145 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2y 1
. 19 . 3507 . 1 1 11 . CD1 C -7.787 2.166 0.292 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2y 1
. 19 . 3508 . 1 1 11 . CG1 C -6.930 3.123 1.109 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2y 1
. 19 . 3509 . 1 1 11 . CG2 C -6.751 1.717 3.194 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2y 1
. 19 . 3510 . 1 1 11 . H H -3.842 3.936 1.123 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2y 1
. 19 . 3511 . 1 1 11 . HA H -5.731 4.230 3.363 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2y 1
. 19 . 3512 . 1 1 11 . HD11 H -8.331 2.723 -0.459 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2y 1
. 19 . 3513 . 1 1 11 . HD12 H -8.487 1.664 0.943 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2y 1
. 19 . 3514 . 1 1 11 . HD13 H -7.154 1.436 -0.190 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2y 1
. 19 . 3515 . 1 1 11 . HD2 H -8.667 3.977 1.490 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2y 1
. 19 . 3516 . 1 1 11 . HG1 H -6.349 3.718 0.422 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2y 1
. 19 . 3517 . 1 1 11 . HG21 H -6.073 1.242 3.885 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2y 1
. 19 . 3518 . 1 1 11 . HG22 H -7.370 0.966 2.726 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2y 1
. 19 . 3519 . 1 1 11 . HG23 H -7.376 2.417 3.728 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2y 1
. 19 . 3520 . 1 1 11 . HG3 H -4.373 2.010 1.102 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2y 1
. 19 . 3521 . 1 1 11 . N N -4.445 4.377 1.757 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2y 1
. 19 . 3522 . 1 1 11 . OD2 O -7.783 3.993 1.863 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2y 1
. 19 . 3523 . 1 1 11 . OG3 O -5.124 1.537 1.466 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2y 1
. 19 . 3524 . 1 1 12 . C C -0.844 1.439 4.196 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2y 1
. 19 . 3525 . 1 1 12 . CA C -2.152 2.045 4.352 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2y 1
. 19 . 3526 . 1 1 12 . CB C -2.762 2.227 5.634 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2y 1
. 19 . 3527 . 1 1 12 . HB H -2.332 1.943 6.583 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2y 1
. 19 . 3528 . 1 1 12 . N N -2.898 2.486 3.316 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2y 1
. 19 . 3529 . 1 1 12 . O O -0.144 1.047 5.129 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2y 1
. 19 . 3530 . 1 1 12 . SG S -4.263 2.959 5.413 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2y 1
. 19 . 3531 . 1 1 13 THR C C 1.419 1.511 1.354 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2y 1
. 19 . 3532 . 1 1 13 THR CA C 0.831 0.767 2.551 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2y 1
. 19 . 3533 . 1 1 13 THR CB C 0.732 -0.744 2.257 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2y 1
. 19 . 3534 . 1 1 13 THR CG2 C 0.493 -1.541 3.528 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2y 1
. 19 . 3535 . 1 1 13 THR H H -1.072 1.644 2.215 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2y 1
. 19 . 3536 . 1 1 13 THR HA H 1.493 0.893 3.395 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2y 1
. 19 . 3537 . 1 1 13 THR HB H 1.652 -1.083 1.801 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2y 1
. 19 . 3538 . 1 1 13 THR HG21 H 0.542 -2.597 3.305 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2y 1
. 19 . 3539 . 1 1 13 THR HG22 H -0.485 -1.303 3.922 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2y 1
. 19 . 3540 . 1 1 13 THR HG23 H 1.247 -1.291 4.259 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2y 1
. 19 . 3541 . 1 1 13 THR N N -0.467 1.333 2.922 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2y 1
. 19 . 3542 . 1 1 13 THR OG1 O -0.421 -1.026 1.368 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2y 1
. 19 . 3543 . 1 1 14 . C C 4.121 1.951 -0.983 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2y 1
. 19 . 3544 . 1 1 14 . CA C 2.825 2.084 -0.231 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2y 1
. 19 . 3545 . 1 1 14 . CB C 1.783 3.026 -0.500 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2y 1
. 19 . 3546 . 1 1 14 . HB H 1.790 3.766 -1.288 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2y 1
. 19 . 3547 . 1 1 14 . N N 2.571 1.262 0.815 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2y 1
. 19 . 3548 . 1 1 14 . SG S 0.543 2.792 0.614 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2y 1
. 19 . 3549 . 1 1 15 . C C 7.263 1.711 0.987 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2y 1
. 19 . 3550 . 1 1 15 . CA C 6.303 1.541 -0.123 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2y 1
. 19 . 3551 . 1 1 15 . CB C 6.769 0.788 -1.300 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2y 1
. 19 . 3552 . 1 1 15 . HB2 H 7.002 -0.221 -1.000 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2y 1
. 19 . 3553 . 1 1 15 . HB3 H 7.664 1.252 -1.693 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2y 1
. 19 . 3554 . 1 1 15 . N N 5.146 2.069 0.062 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2y 1
. 19 . 3555 . 1 1 16 . C C 10.519 1.196 2.337 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2y 1
. 19 . 3556 . 1 1 16 . CA C 9.138 1.566 2.101 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2y 1
. 19 . 3557 . 1 1 16 . CB C 8.358 2.276 3.068 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2y 1
. 19 . 3558 . 1 1 16 . HB H 8.699 2.598 4.041 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2y 1
. 19 . 3559 . 1 1 16 . N N 8.478 1.275 0.957 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2y 1
. 19 . 3560 . 1 1 16 . O O 11.135 1.444 3.373 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2y 1
. 19 . 3561 . 1 1 16 . SG S 6.815 2.523 2.434 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2y 1
. 19 . 3562 . 1 1 17 DHA C C 12.750 -0.537 -0.090 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2y 1
. 19 . 3563 . 1 1 17 DHA CA C 12.447 0.056 1.202 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2y 1
. 19 . 3564 . 1 1 17 DHA CB C 13.362 0.116 2.159 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2y 1
. 19 . 3565 . 1 1 17 DHA H H 10.480 0.414 0.521 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2y 1
. 19 . 3566 . 1 1 17 DHA HB1 H 14.350 -0.281 1.985 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2y 1
. 19 . 3567 . 1 1 17 DHA HB2 H 13.124 0.559 3.113 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2y 1
. 19 . 3568 . 1 1 17 DHA N N 11.061 0.557 1.296 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2y 1
. 19 . 3569 . 1 1 17 DHA O O 11.853 -0.556 -0.932 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2y 1
. 19 . 3570 . 1 1 18 NH2 HN1 H 14.166 -1.427 -1.190 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . rr_2l2y 1
. 19 . 3571 . 1 1 18 NH2 HN2 H 14.641 -0.985 0.390 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . rr_2l2y 1
. 19 . 3572 . 1 1 18 NH2 N N 13.964 -1.029 -0.318 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . rr_2l2y 1
. 20 . 3573 . 1 1 1 QUA C10 C -3.695 -2.426 -2.055 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2y 1
. 20 . 3574 . 1 1 1 QUA C11 C -0.171 -1.364 0.054 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2y 1
. 20 . 3575 . 1 1 1 QUA C13 C -2.370 -2.807 -4.193 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2y 1
. 20 . 3576 . 1 1 1 QUA C14 C -2.425 -4.326 -4.326 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2y 1
. 20 . 3577 . 1 1 1 QUA C2 C -1.430 -1.737 -0.666 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2y 1
. 20 . 3578 . 1 1 1 QUA C3 C -1.315 -2.071 -2.010 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2y 1
. 20 . 3579 . 1 1 1 QUA C4 C -2.466 -2.423 -2.721 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2y 1
. 20 . 3580 . 1 1 1 QUA C5 C -4.964 -2.769 -2.724 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2y 1
. 20 . 3581 . 1 1 1 QUA C6 C -6.010 -3.108 -2.050 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2y 1
. 20 . 3582 . 1 1 1 QUA C7 C -5.977 -3.184 -0.527 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2y 1
. 20 . 3583 . 1 1 1 QUA C8 C -5.035 -2.093 0.052 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2y 1
. 20 . 3584 . 1 1 1 QUA C9 C -3.714 -2.080 -0.711 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2y 1
. 20 . 3585 . 1 1 1 QUA H13 H -3.204 -2.388 -4.732 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2y 1
. 20 . 3586 . 1 1 1 QUA H141 H -3.209 -4.721 -3.691 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2y 1
. 20 . 3587 . 1 1 1 QUA H142 H -1.476 -4.748 -4.028 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2y 1
. 20 . 3588 . 1 1 1 QUA H143 H -2.628 -4.590 -5.353 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2y 1
. 20 . 3589 . 1 1 1 QUA H15 H -1.352 -1.595 -5.372 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2y 1
. 20 . 3590 . 1 1 1 QUA H16 H -5.188 -0.241 -0.616 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2y 1
. 20 . 3591 . 1 1 1 QUA HC3 H -0.353 -2.059 -2.499 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2y 1
. 20 . 3592 . 1 1 1 QUA HC5 H -5.027 -2.729 -3.799 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2y 1
. 20 . 3593 . 1 1 1 QUA HC6 H -6.920 -3.346 -2.576 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2y 1
. 20 . 3594 . 1 1 1 QUA HC71 H -6.970 -3.062 -0.125 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2y 1
. 20 . 3595 . 1 1 1 QUA HC8 H -4.847 -2.323 1.090 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2y 1
. 20 . 3596 . 1 1 1 QUA N1 N -2.613 -1.734 0.010 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2y 1
. 20 . 3597 . 1 1 1 QUA O12 O 0.937 -1.358 -0.484 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2y 1
. 20 . 3598 . 1 1 1 QUA O15 O -1.154 -2.322 -4.777 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2y 1
. 20 . 3599 . 1 1 1 QUA O16 O -5.680 -0.815 -0.024 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2y 1
. 20 . 3600 . 1 1 2 ILE C C -4.391 -5.077 1.940 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2y 1
. 20 . 3601 . 1 1 2 ILE CA C -5.709 -4.993 1.176 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2y 1
. 20 . 3602 . 1 1 2 ILE CB C -6.422 -6.366 1.227 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2y 1
. 20 . 3603 . 1 1 2 ILE CD1 C -5.353 -7.217 -0.976 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2y 1
. 20 . 3604 . 1 1 2 ILE CG1 C -5.613 -7.467 0.504 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2y 1
. 20 . 3605 . 1 1 2 ILE CG2 C -7.823 -6.255 0.642 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2y 1
. 20 . 3606 . 1 1 2 ILE H H -4.523 -4.605 -0.426 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2y 1
. 20 . 3607 . 1 1 2 ILE HA H -6.344 -4.260 1.655 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2y 1
. 20 . 3608 . 1 1 2 ILE HB H -6.526 -6.641 2.267 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2y 1
. 20 . 3609 . 1 1 2 ILE HD11 H -5.058 -8.143 -1.449 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2y 1
. 20 . 3610 . 1 1 2 ILE HD12 H -4.559 -6.491 -1.091 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2y 1
. 20 . 3611 . 1 1 2 ILE HD13 H -6.250 -6.845 -1.446 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2y 1
. 20 . 3612 . 1 1 2 ILE HG12 H -4.655 -7.573 0.987 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2y 1
. 20 . 3613 . 1 1 2 ILE HG13 H -6.150 -8.401 0.588 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2y 1
. 20 . 3614 . 1 1 2 ILE HG21 H -7.771 -5.804 -0.338 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2y 1
. 20 . 3615 . 1 1 2 ILE HG22 H -8.434 -5.642 1.288 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2y 1
. 20 . 3616 . 1 1 2 ILE HG23 H -8.259 -7.240 0.564 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2y 1
. 20 . 3617 . 1 1 2 ILE N N -5.481 -4.555 -0.224 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2y 1
. 20 . 3618 . 1 1 2 ILE O O -4.329 -4.763 3.130 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2y 1
. 20 . 3619 . 1 1 3 ALA C C -0.944 -5.811 0.773 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2y 1
. 20 . 3620 . 1 1 3 ALA CA C -2.017 -5.635 1.844 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2y 1
. 20 . 3621 . 1 1 3 ALA CB C -1.989 -6.810 2.814 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2y 1
. 20 . 3622 . 1 1 3 ALA H H -3.457 -5.736 0.299 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2y 1
. 20 . 3623 . 1 1 3 ALA HA H -1.811 -4.732 2.402 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2y 1
. 20 . 3624 . 1 1 3 ALA HB1 H -2.693 -6.634 3.613 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2y 1
. 20 . 3625 . 1 1 3 ALA HB2 H -0.995 -6.913 3.225 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2y 1
. 20 . 3626 . 1 1 3 ALA HB3 H -2.257 -7.715 2.289 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2y 1
. 20 . 3627 . 1 1 3 ALA N N -3.339 -5.503 1.244 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2y 1
. 20 . 3628 . 1 1 3 ALA O O -0.982 -6.771 0.004 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2y 1
. 20 . 3629 . 1 1 4 DHA C C 2.170 -3.911 0.286 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2y 1
. 20 . 3630 . 1 1 4 DHA CA C 1.164 -4.844 -0.162 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2y 1
. 20 . 3631 . 1 1 4 DHA CB C 1.327 -5.569 -1.259 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2y 1
. 20 . 3632 . 1 1 4 DHA H H -0.061 -4.150 1.392 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2y 1
. 20 . 3633 . 1 1 4 DHA HB1 H 0.565 -6.268 -1.566 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2y 1
. 20 . 3634 . 1 1 4 DHA HB2 H 2.230 -5.468 -1.843 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2y 1
. 20 . 3635 . 1 1 4 DHA N N 0.009 -4.879 0.739 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2y 1
. 20 . 3636 . 1 1 4 DHA O O 1.941 -3.305 1.329 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2y 1
. 20 . 3637 . 1 1 5 ALA C C 4.508 -1.728 -1.106 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2y 1
. 20 . 3638 . 1 1 5 ALA CA C 4.280 -2.768 -0.020 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2y 1
. 20 . 3639 . 1 1 5 ALA CB C 5.563 -3.500 0.316 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2y 1
. 20 . 3640 . 1 1 5 ALA H H 3.395 -4.238 -1.253 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2y 1
. 20 . 3641 . 1 1 5 ALA HA H 3.933 -2.269 0.873 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2y 1
. 20 . 3642 . 1 1 5 ALA HB1 H 5.982 -3.925 -0.584 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2y 1
. 20 . 3643 . 1 1 5 ALA HB2 H 5.342 -4.292 1.019 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2y 1
. 20 . 3644 . 1 1 5 ALA HB3 H 6.268 -2.812 0.757 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2y 1
. 20 . 3645 . 1 1 5 ALA N N 3.265 -3.725 -0.429 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2y 1
. 20 . 3646 . 1 1 5 ALA O O 4.906 -2.064 -2.222 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2y 1
. 20 . 3647 . 1 1 6 SER C C 3.241 0.466 -2.797 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2y 1
. 20 . 3648 . 1 1 6 SER CA C 4.290 0.637 -1.798 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2y 1
. 20 . 3649 . 1 1 6 SER CB C 5.708 0.748 -2.429 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2y 1
. 20 . 3650 . 1 1 6 SER H H 4.019 -0.251 0.158 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2y 1
. 20 . 3651 . 1 1 6 SER HB2 H 5.908 -0.122 -3.034 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2y 1
. 20 . 3652 . 1 1 6 SER HB3 H 5.761 1.634 -3.044 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2y 1
. 20 . 3653 . 1 1 6 SER N N 4.244 -0.462 -0.772 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2y 1
. 20 . 3654 . 1 1 7 . C C -0.142 0.776 -3.910 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2y 1
. 20 . 3655 . 1 1 7 . CA C 1.276 0.503 -3.785 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2y 1
. 20 . 3656 . 1 1 7 . CB C 2.034 -0.096 -4.834 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2y 1
. 20 . 3657 . 1 1 7 . HB H 1.650 -0.403 -5.796 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2y 1
. 20 . 3658 . 1 1 7 . N N 1.992 0.794 -2.678 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2y 1
. 20 . 3659 . 1 1 7 . O O -0.807 0.544 -4.919 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2y 1
. 20 . 3660 . 1 1 7 . SG S 3.629 -0.245 -4.319 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2y 1
. 20 . 3661 . 1 1 8 THR C C -1.910 3.396 -2.664 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2y 1
. 20 . 3662 . 1 1 8 THR CA C -2.003 1.883 -2.799 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2y 1
. 20 . 3663 . 1 1 8 THR CB C -2.896 1.318 -1.674 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2y 1
. 20 . 3664 . 1 1 8 THR CG2 C -2.273 1.534 -0.303 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2y 1
. 20 . 3665 . 1 1 8 THR H H -0.156 1.268 -1.966 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2y 1
. 20 . 3666 . 1 1 8 THR HA H -2.469 1.651 -3.747 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2y 1
. 20 . 3667 . 1 1 8 THR HB H -3.013 0.258 -1.834 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2y 1
. 20 . 3668 . 1 1 8 THR HG1 H -4.839 1.345 -1.331 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2y 1
. 20 . 3669 . 1 1 8 THR HG21 H -2.221 2.592 -0.091 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2y 1
. 20 . 3670 . 1 1 8 THR HG22 H -1.280 1.116 -0.290 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2y 1
. 20 . 3671 . 1 1 8 THR HG23 H -2.879 1.048 0.448 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2y 1
. 20 . 3672 . 1 1 8 THR N N -0.670 1.292 -2.801 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2y 1
. 20 . 3673 . 1 1 8 THR O O -0.841 3.938 -2.388 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2y 1
. 20 . 3674 . 1 1 8 THR OG1 O -4.187 1.937 -1.714 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2y 1
. 20 . 3675 . 1 1 9 DBU C C -3.454 6.202 -1.656 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2y 1
. 20 . 3676 . 1 1 9 DBU CA C -3.130 5.524 -2.930 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2y 1
. 20 . 3677 . 1 1 9 DBU CB C -2.942 6.212 -4.042 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2y 1
. 20 . 3678 . 1 1 9 DBU CG C -2.597 5.528 -5.373 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2y 1
. 20 . 3679 . 1 1 9 DBU HG1 H -2.209 6.258 -6.066 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2y 1
. 20 . 3680 . 1 1 9 DBU HG2 H -3.486 5.075 -5.786 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2y 1
. 20 . 3681 . 1 1 9 DBU HG3 H -1.850 4.761 -5.197 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2y 1
. 20 . 3682 . 1 1 9 DBU N N -3.031 4.070 -2.858 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2y 1
. 20 . 3683 . 1 1 10 CYS C C -4.567 5.754 1.684 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . rr_2l2y 1
. 20 . 3684 . 1 1 10 CYS CA C -3.793 6.467 0.596 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . rr_2l2y 1
. 20 . 3685 . 1 1 10 CYS CB C -4.611 7.620 0.020 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . rr_2l2y 1
. 20 . 3686 . 1 1 10 CYS HA H -2.883 6.872 1.020 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . rr_2l2y 1
. 20 . 3687 . 1 1 10 CYS HB2 H -5.660 7.344 -0.040 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB2 . . . . . . . . . rr_2l2y 1
. 20 . 3688 . 1 1 10 CYS HB3 H -4.481 8.511 0.606 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . rr_2l2y 1
. 20 . 3689 . 1 1 10 CYS N N -3.431 5.582 -0.512 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . rr_2l2y 1
. 20 . 3690 . 1 1 10 CYS O O -5.297 6.420 2.421 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . rr_2l2y 1
. 20 . 3691 . 1 1 10 CYS SG S -3.907 7.873 -1.616 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . rr_2l2y 1
. 20 . 3692 . 1 1 11 . C C -3.998 3.034 3.743 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2y 1
. 20 . 3693 . 1 1 11 . CA C -5.064 3.663 2.843 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2y 1
. 20 . 3694 . 1 1 11 . CB C -6.008 2.568 2.233 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2y 1
. 20 . 3695 . 1 1 11 . CD1 C -7.851 2.351 0.395 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2y 1
. 20 . 3696 . 1 1 11 . CG1 C -6.950 3.277 1.199 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2y 1
. 20 . 3697 . 1 1 11 . CG2 C -6.810 1.901 3.305 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2y 1
. 20 . 3698 . 1 1 11 . H H -3.849 3.969 1.138 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2y 1
. 20 . 3699 . 1 1 11 . HA H -5.658 4.347 3.431 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2y 1
. 20 . 3700 . 1 1 11 . HD11 H -7.252 1.580 -0.069 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2y 1
. 20 . 3701 . 1 1 11 . HD12 H -8.359 2.919 -0.369 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2y 1
. 20 . 3702 . 1 1 11 . HD13 H -8.579 1.896 1.050 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2y 1
. 20 . 3703 . 1 1 11 . HD2 H -8.463 4.530 1.396 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2y 1
. 20 . 3704 . 1 1 11 . HG1 H -6.351 3.846 0.505 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2y 1
. 20 . 3705 . 1 1 11 . HG21 H -7.476 1.177 2.861 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2y 1
. 20 . 3706 . 1 1 11 . HG22 H -7.388 2.642 3.837 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2y 1
. 20 . 3707 . 1 1 11 . HG23 H -6.147 1.399 3.995 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2y 1
. 20 . 3708 . 1 1 11 . HG3 H -5.637 0.741 1.637 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2y 1
. 20 . 3709 . 1 1 11 . N N -4.415 4.435 1.789 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2y 1
. 20 . 3710 . 1 1 11 . OD2 O -7.762 4.186 1.955 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2y 1
. 20 . 3711 . 1 1 11 . OG3 O -5.223 1.603 1.556 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2y 1
. 20 . 3712 . 1 1 12 . C C -0.845 1.410 4.187 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2y 1
. 20 . 3713 . 1 1 12 . CA C -2.140 2.040 4.356 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2y 1
. 20 . 3714 . 1 1 12 . CB C -2.741 2.209 5.643 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2y 1
. 20 . 3715 . 1 1 12 . HB H -2.312 1.898 6.584 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2y 1
. 20 . 3716 . 1 1 12 . N N -2.883 2.517 3.330 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2y 1
. 20 . 3717 . 1 1 12 . O O -0.151 0.993 5.115 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2y 1
. 20 . 3718 . 1 1 12 . SG S -4.229 2.975 5.446 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2y 1
. 20 . 3719 . 1 1 13 THR C C 1.423 1.516 1.357 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2y 1
. 20 . 3720 . 1 1 13 THR CA C 0.829 0.750 2.537 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2y 1
. 20 . 3721 . 1 1 13 THR CB C 0.734 -0.756 2.217 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2y 1
. 20 . 3722 . 1 1 13 THR CG2 C 0.492 -1.575 3.474 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2y 1
. 20 . 3723 . 1 1 13 THR H H -1.082 1.614 2.208 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2y 1
. 20 . 3724 . 1 1 13 THR HA H 1.485 0.862 3.388 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2y 1
. 20 . 3725 . 1 1 13 THR HB H 1.656 -1.085 1.759 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2y 1
. 20 . 3726 . 1 1 13 THR HG21 H 1.245 -1.337 4.209 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2y 1
. 20 . 3727 . 1 1 13 THR HG22 H 0.543 -2.626 3.231 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2y 1
. 20 . 3728 . 1 1 13 THR HG23 H -0.485 -1.345 3.870 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2y 1
. 20 . 3729 . 1 1 13 THR N N -0.471 1.310 2.911 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2y 1
. 20 . 3730 . 1 1 13 THR OG1 O -0.417 -1.025 1.319 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2y 1
. 20 . 3731 . 1 1 14 . C C 4.119 1.969 -0.983 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2y 1
. 20 . 3732 . 1 1 14 . CA C 2.829 2.105 -0.218 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2y 1
. 20 . 3733 . 1 1 14 . CB C 1.800 3.070 -0.460 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2y 1
. 20 . 3734 . 1 1 14 . HB H 1.815 3.827 -1.228 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2y 1
. 20 . 3735 . 1 1 14 . N N 2.568 1.263 0.806 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2y 1
. 20 . 3736 . 1 1 14 . SG S 0.562 2.828 0.654 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2y 1
. 20 . 3737 . 1 1 15 . C C 7.314 1.807 0.918 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2y 1
. 20 . 3738 . 1 1 15 . CA C 6.325 1.605 -0.164 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2y 1
. 20 . 3739 . 1 1 15 . CB C 6.776 0.839 -1.339 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2y 1
. 20 . 3740 . 1 1 15 . HB2 H 7.033 -0.161 -1.028 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2y 1
. 20 . 3741 . 1 1 15 . HB3 H 7.652 1.311 -1.762 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2y 1
. 20 . 3742 . 1 1 15 . N N 5.163 2.121 0.041 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2y 1
. 20 . 3743 . 1 1 16 . C C 10.611 1.328 2.176 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2y 1
. 20 . 3744 . 1 1 16 . CA C 9.224 1.692 1.977 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2y 1
. 20 . 3745 . 1 1 16 . CB C 8.471 2.424 2.950 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2y 1
. 20 . 3746 . 1 1 16 . HB H 8.841 2.770 3.904 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2y 1
. 20 . 3747 . 1 1 16 . N N 8.529 1.374 0.862 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2y 1
. 20 . 3748 . 1 1 16 . O O 11.262 1.600 3.185 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2y 1
. 20 . 3749 . 1 1 16 . SG S 6.909 2.653 2.358 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2y 1
. 20 . 3750 . 1 1 17 DHA C C 12.703 -0.605 -0.220 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2y 1
. 20 . 3751 . 1 1 17 DHA CA C 12.498 0.170 0.993 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2y 1
. 20 . 3752 . 1 1 17 DHA CB C 13.490 0.386 1.844 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2y 1
. 20 . 3753 . 1 1 17 DHA H H 10.494 0.466 0.402 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2y 1
. 20 . 3754 . 1 1 17 DHA HB1 H 14.471 -0.018 1.642 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2y 1
. 20 . 3755 . 1 1 17 DHA HB2 H 13.322 0.963 2.739 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2y 1
. 20 . 3756 . 1 1 17 DHA N N 11.113 0.657 1.138 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2y 1
. 20 . 3757 . 1 1 17 DHA O O 11.735 -0.762 -0.964 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2y 1
. 20 . 3758 . 1 1 18 NH2 HN1 H 14.036 -1.631 -1.303 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . rr_2l2y 1
. 20 . 3759 . 1 1 18 NH2 HN2 H 14.641 -0.953 0.143 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . rr_2l2y 1
. 20 . 3760 . 1 1 18 NH2 N N 13.904 -1.109 -0.484 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . rr_2l2y 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_2l2y
_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 2l2y.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_2l2y 1
1 2l2y.mr . . XPLOR/CNS 2 distance NOE simple 157 rr_2l2y 1
1 2l2y.mr . . XPLOR/CNS 3 distance NOE ambi 13 rr_2l2y 1
1 2l2y.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_2l2y 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_2l2y
_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: '2l2y'" . . . . distance "general distance" . 133 rr_2l2y 1
2 "From CCPN project: '2l2y'" . . . . distance "general distance" . 9 rr_2l2y 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 2l2y.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_2l2y 1
1 2l2y.mr . . XPLOR/CNS 2 distance NOE simple 157 rr_2l2y 1
1 2l2y.mr . . XPLOR/CNS 3 distance NOE ambi 13 rr_2l2y 1
1 2l2y.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_2l2y 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_2
_Gen_dist_constraint_list.Entry_ID rr_2l2y
_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_2l2y 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 1 1 QUA HC3 H . . . 1 1 1 1 QUA H13 H . . . . . 3.61 1.66 5.56 . . . . . A . . QUA HC3 . . A . . QUA H13 . . . 0 . HC3 . . . . . 0 . H13 . . rr_2l2y 1
2 1 . . 1 1 1 1 QUA HC3 H . . . 1 1 1 1 QUA M14 H . . . . . 3.01 1.88 4.14 . . . . . A . . QUA HC3 . . A . . QUA M14 . . . 0 . HC3 . . . . . 0 . H14# . . rr_2l2y 1
3 1 . . 1 1 1 1 QUA HC3 H . . . 1 1 1 1 QUA HC5 H . . . . . 4.35 1.51 6.50 . . . . . A . . QUA HC3 . . A . . QUA HC5 . . . 0 . HC3 . . . . . 0 . HC5 . . rr_2l2y 1
4 1 . . 1 1 1 1 QUA H13 H . . . 1 1 1 1 QUA HC5 H . . . . . 2.05 1.52 2.58 . . . . . A . . QUA H13 . . A . . QUA HC5 . . . 0 . H13 . . . . . 0 . HC5 . . rr_2l2y 1
5 1 . . 1 1 1 1 QUA M14 H . . . 1 1 1 1 QUA HC5 H . . . . . 2.66 1.77 3.55 . . . . . A . . QUA M14 . . A . . QUA HC5 . . . 0 . H14# . . . . . 0 . HC5 . . rr_2l2y 1
6 1 . . 1 1 1 1 QUA HC5 H . . . 1 1 1 1 QUA HC6 H . . . . . 1.84 1.42 2.26 . . . . . A . . QUA HC5 . . A . . QUA HC6 . . . 0 . HC5 . . . . . 0 . HC6 . . rr_2l2y 1
7 1 . . 1 1 1 1 QUA H13 H . . . 1 1 1 1 QUA HC6 H . . . . . 4.05 2.00 6.10 . . . . . A . . QUA H13 . . A . . QUA HC6 . . . 0 . H13 . . . . . 0 . HC6 . . rr_2l2y 1
8 1 . . 1 1 1 1 QUA HC6 H . . . 1 1 1 1 QUA HC71 H . . . . . 2.66 1.77 3.55 . . . . . A . . QUA HC6 . . A . . QUA HC71 . . . 0 . HC6 . . . . . 0 . HC71 . . rr_2l2y 1
9 1 . . 1 1 1 1 QUA HC6 H . . . 1 1 1 1 QUA HC8 H . . . . . 4.50 1.46 6.50 . . . . . A . . QUA HC6 . . A . . QUA HC8 . . . 0 . HC6 . . . . . 0 . HC8 . . rr_2l2y 1
10 1 . . 1 1 1 1 QUA H13 H . . . 1 1 1 1 QUA M14 H . . . . . 2.44 1.69 3.19 . . . . . A . . QUA H13 . . A . . QUA M14 . . . 0 . H13 . . . . . 0 . H14# . . rr_2l2y 1
11 1 . . 1 1 2 2 ILE HA H . . . 1 1 2 2 ILE HB H . . . . . 2.49 1.71 3.27 . . . . . A . 1 ILE HA . . A . 1 ILE HB . . . 1 . HA . . . . . 1 . HB . . rr_2l2y 1
12 1 . . 1 1 2 2 ILE HA H . . . 1 1 2 2 ILE HG12 H . . . . . 4.43 1.49 6.50 . . . . . A . 1 ILE HA . . A . 1 ILE HG12 . . . 1 . HA . . . . . 1 . HG12 . . rr_2l2y 1
13 1 . . 1 1 2 2 ILE HA H . . . 1 1 2 2 ILE MG H . . . . . 2.49 1.71 3.27 . . . . . A . 1 ILE HA . . A . 1 ILE MG . . . 1 . HA . . . . . 1 . HG2# . . rr_2l2y 1
14 1 . . 1 1 2 2 ILE HA H . . . 1 1 2 2 ILE MD H . . . . . 4.18 1.12 6.50 . . . . . A . 1 ILE HA . . A . 1 ILE MD . . . 1 . HA . . . . . 1 . HD1# . . rr_2l2y 1
15 1 . . 1 1 2 2 ILE HB H . . . 1 1 2 2 ILE HG12 H . . . . . 2.84 1.83 3.85 . . . . . A . 1 ILE HB . . A . 1 ILE HG12 . . . 1 . HB . . . . . 1 . HG12 . . rr_2l2y 1
16 1 . . 1 1 2 2 ILE HB H . . . 1 1 2 2 ILE HG13 H . . . . . 2.78 1.81 3.75 . . . . . A . 1 ILE HB . . A . 1 ILE HG13 . . . 1 . HB . . . . . 1 . HG13 . . rr_2l2y 1
17 1 . . 1 1 2 2 ILE MD H . . . 1 1 2 2 ILE HG13 H . . . . . 2.20 1.59 2.81 . . . . . A . 1 ILE MD . . A . 1 ILE HG13 . . . 1 . HD1# . . . . . 1 . HG13 . . rr_2l2y 1
18 1 . . 1 1 3 3 ALA H H . . . 1 1 3 3 ALA HA H . . . . . 2.79 1.82 3.76 . . . . . A . 2 ALA H . . A . 2 ALA HA . . . 2 . H . . . . . 2 . HA . . rr_2l2y 1
19 1 . . 1 1 3 3 ALA H H . . . 1 1 3 3 ALA MB H . . . . . 2.63 1.59 3.67 . . . . . A . 2 ALA H . . A . 2 ALA MB . . . 2 . H . . . . . 2 . HB# . . rr_2l2y 1
20 1 . . 1 1 3 3 ALA HA H . . . 1 1 3 3 ALA MB H . . . . . 2.45 1.70 3.20 . . . . . A . 2 ALA HA . . A . 2 ALA MB . . . 2 . HA . . . . . 2 . HB# . . rr_2l2y 1
21 1 . . 1 1 4 4 DHA H H . . . 1 1 4 4 DHA HB1 H . . . . . 3.38 1.66 5.10 . . . . . A . 3 DHA H . . A . 3 DHA HB1 . . . 3 . H . . . . . 3 . HB1 . . rr_2l2y 1
22 1 . . 1 1 4 4 DHA H H . . . 1 1 4 4 DHA HB2 H . . . . . 3.77 1.64 5.90 . . . . . A . 3 DHA H . . A . 3 DHA HB2 . . . 3 . H . . . . . 3 . HB2 . . rr_2l2y 1
23 1 . . 1 1 4 4 DHA HB1 H . . . 1 1 4 4 DHA HB2 H . . . . . 1.67 1.32 2.20 . . . . . A . 3 DHA HB1 . . A . 3 DHA HB2 . . . 3 . HB1 . . . . . 3 . HB2 . . rr_2l2y 1
24 1 . . 1 1 5 5 ALA H H . . . 1 1 5 5 ALA HA H . . . . . 2.70 1.79 3.61 . . . . . A . 4 ALA H . . A . 4 ALA HA . . . 4 . H . . . . . 4 . HA . . rr_2l2y 1
25 1 . . 1 1 5 5 ALA H H . . . 1 1 5 5 ALA MB H . . . . . 2.49 1.71 3.27 . . . . . A . 4 ALA H . . A . 4 ALA MB . . . 4 . H . . . . . 4 . HB# . . rr_2l2y 1
26 1 . . 1 1 5 5 ALA HA H . . . 1 1 5 5 ALA MB H . . . . . 2.37 1.67 3.07 . . . . . A . 4 ALA HA . . A . 4 ALA MB . . . 4 . HA . . . . . 4 . HB# . . rr_2l2y 1
27 1 . . 1 1 6 6 SER H H . . . 1 1 6 6 SER HB2 H . . . . . 3.59 1.66 5.52 . . . . . A . 5 SER H . . A . 5 SER HB2 . . . 5 . H . . . . . 5 . HB2 . . rr_2l2y 1
28 1 . . 1 1 6 6 SER H H . . . 1 1 6 6 SER HB3 H . . . . . 3.95 1.22 6.50 . . . . . A . 5 SER H . . A . 5 SER HB3 . . . 5 . H . . . . . 5 . HB3 . . rr_2l2y 1
29 1 . . 1 1 6 6 SER HB2 H . . . 1 1 6 6 SER HB3 H . . . . . 1.93 1.46 2.40 . . . . . A . 5 SER HB2 . . A . 5 SER HB3 . . . 5 . HB2 . . . . . 5 . HB3 . . rr_2l2y 1
30 1 . . 1 1 8 8 THR H H . . . 1 1 8 8 THR HA H . . . . . 2.57 1.74 3.40 . . . . . A . 7 THR H . . A . 7 THR HA . . . 7 . H . . . . . 7 . HA . . rr_2l2y 1
31 1 . . 1 1 8 8 THR H H . . . 1 1 8 8 THR MG H . . . . . 2.66 1.78 3.54 . . . . . A . 7 THR H . . A . 7 THR MG . . . 7 . H . . . . . 7 . HG2# . . rr_2l2y 1
32 1 . . 1 1 8 8 THR HA H . . . 1 1 8 8 THR HB H . . . . . 2.95 1.86 4.04 . . . . . A . 7 THR HA . . A . 7 THR HB . . . 7 . HA . . . . . 7 . HB . . rr_2l2y 1
33 1 . . 1 1 10 10 CYS HA H . . . 1 1 10 10 CYS HB2 H . . . . . 4.15 1.57 6.50 . . . . . A . 9 CYS HA . . A . 9 CYS HB2 . . . 9 . HA . . . . . 9 . HB2 . . rr_2l2y 1
34 1 . . 1 1 10 10 CYS HA H . . . 1 1 10 10 CYS HB3 H . . . . . 2.76 1.81 3.71 . . . . . A . 9 CYS HA . . A . 9 CYS HB3 . . . 9 . HA . . . . . 9 . HB3 . . rr_2l2y 1
35 1 . . 1 1 11 11 Ts9 H H . . . 1 1 11 11 Ts9 HA H . . . . . 2.56 1.74 3.38 . . . . . A . 10 TS9 H . . A . 10 TS9 HA . . . 10 . H . . . . . 10 . HA . . rr_2l2y 1
36 1 . . 1 1 11 11 Ts9 H H . . . 1 1 11 11 Ts9 HG1 H . . . . . 2.61 1.76 3.46 . . . . . A . 10 TS9 H . . A . 10 TS9 HG1 . . . 10 . H . . . . . 10 . HG1 . . rr_2l2y 1
37 1 . . 1 1 11 11 Ts9 HA H . . . 1 1 11 11 Ts9 HG1 H . . . . . 3.22 1.92 4.52 . . . . . A . 10 TS9 HA . . A . 10 TS9 HG1 . . . 10 . HA . . . . . 10 . HG1 . . rr_2l2y 1
38 1 . . 1 1 13 13 THR H H . . . 1 1 13 13 THR HA H . . . . . 2.28 1.63 2.93 . . . . . A . 12 THR H . . A . 12 THR HA . . . 12 . H . . . . . 12 . HA . . rr_2l2y 1
39 1 . . 1 1 13 13 THR H H . . . 1 1 13 13 THR HB H . . . . . 3.89 1.62 6.16 . . . . . A . 12 THR H . . A . 12 THR HB . . . 12 . H . . . . . 12 . HB . . rr_2l2y 1
40 1 . . 1 1 13 13 THR H H . . . 1 1 13 13 THR MG H . . . . . 2.82 1.83 3.81 . . . . . A . 12 THR H . . A . 12 THR MG . . . 12 . H . . . . . 12 . HG2# . . rr_2l2y 1
41 1 . . 1 1 13 13 THR HA H . . . 1 1 13 13 THR HB H . . . . . 2.60 1.76 3.44 . . . . . A . 12 THR HA . . A . 12 THR HB . . . 12 . HA . . . . . 12 . HB . . rr_2l2y 1
42 1 . . 1 1 13 13 THR HA H . . . 1 1 13 13 THR MG H . . . . . 2.43 1.69 3.17 . . . . . A . 12 THR HA . . A . 12 THR MG . . . 12 . HA . . . . . 12 . HG2# . . rr_2l2y 1
43 1 . . 1 1 13 13 THR HB H . . . 1 1 13 13 THR MG H . . . . . 2.13 1.56 2.70 . . . . . A . 12 THR HB . . A . 12 THR MG . . . 12 . HB . . . . . 12 . HG2# . . rr_2l2y 1
44 1 . . 1 1 15 15 Mh6 HB2 H . . . 1 1 15 15 Mh6 HB3 H . . . . . 2.28 1.63 2.93 . . . . . A . 14 MH6 HB2 . . A . 14 MH6 HB3 . . . 14 . HB2 . . . . . 14 . HB3 . . rr_2l2y 1
45 1 . . 1 1 17 17 DHA H H . . . 1 1 17 17 DHA HB1 H . . . . . 3.21 1.67 4.75 . . . . . A . 16 DHA H . . A . 16 DHA HB1 . . . 16 . H . . . . . 16 . HB1 . . rr_2l2y 1
46 1 . . 1 1 17 17 DHA H H . . . 1 1 17 17 DHA HB2 H . . . . . 3.58 1.66 5.50 . . . . . A . 16 DHA H . . A . 16 DHA HB2 . . . 16 . H . . . . . 16 . HB2 . . rr_2l2y 1
47 1 . . 1 1 17 17 DHA HB1 H . . . 1 1 17 17 DHA HB2 H . . . . . 1.81 1.40 2.22 . . . . . A . 16 DHA HB1 . . A . 16 DHA HB2 . . . 16 . HB1 . . . . . 16 . HB2 . . rr_2l2y 1
48 1 . . 1 1 18 18 NH2 HN1 H . . . 1 1 18 18 NH2 HN2 H . . . . . 1.63 1.30 2.20 . . . . . A . 17 NH2 HN1 . . A . 17 NH2 HN2 . . . 17 . HN1 . . . . . 17 . HN2 . . rr_2l2y 1
49 1 . . 1 1 1 1 QUA HC6 H . . . 1 1 2 2 ILE HA H . . . . . 4.74 1.38 6.50 . . . . . A . . QUA HC6 . . A . 1 ILE HA . . . 0 . HC6 . . . . . 1 . HA . . rr_2l2y 1
50 1 . . 1 1 1 1 QUA HC6 H . . . 1 1 2 2 ILE MG H . . . . . 3.67 1.31 6.03 . . . . . A . . QUA HC6 . . A . 1 ILE MG . . . 0 . HC6 . . . . . 1 . HG2# . . rr_2l2y 1
51 1 . . 1 1 1 1 QUA HC71 H . . . 1 1 2 2 ILE HA H . . . . . 2.34 1.66 3.02 . . . . . A . . QUA HC71 . . A . 1 ILE HA . . . 0 . HC71 . . . . . 1 . HA . . rr_2l2y 1
52 1 . . 1 1 1 1 QUA HC8 H . . . 1 1 2 2 ILE HA H . . . . . 2.23 1.61 2.85 . . . . . A . . QUA HC8 . . A . 1 ILE HA . . . 0 . HC8 . . . . . 1 . HA . . rr_2l2y 1
53 1 . . 1 1 1 1 QUA HC8 H . . . 1 1 2 2 ILE HB H . . . . . 5.21 1.14 6.50 . . . . . A . . QUA HC8 . . A . 1 ILE HB . . . 0 . HC8 . . . . . 1 . HB . . rr_2l2y 1
54 1 . . 1 1 1 1 QUA HC8 H . . . 1 1 2 2 ILE HG12 H . . . . . 5.24 0.44 6.50 . . . . . A . . QUA HC8 . . A . 1 ILE HG12 . . . 0 . HC8 . . . . . 1 . HG12 . . rr_2l2y 1
55 1 . . 1 1 1 1 QUA M14 H . . . 1 1 2 2 ILE MD H . . . . . 2.13 1.34 2.92 . . . . . A . . QUA M14 . . A . 1 ILE MD . . . 0 . H14# . . . . . 1 . HD1# . . rr_2l2y 1
56 1 . . 1 1 2 2 ILE HA H . . . 1 1 3 3 ALA H H . . . . . 3.31 1.67 4.95 . . . . . A . 1 ILE HA . . A . 2 ALA H . . . 1 . HA . . . . . 2 . H . . rr_2l2y 1
57 1 . . 1 1 2 2 ILE HA H . . . 1 1 3 3 ALA HA H . . . . . 4.10 1.16 6.50 . . . . . A . 1 ILE HA . . A . 2 ALA HA . . . 1 . HA . . . . . 2 . HA . . rr_2l2y 1
58 1 . . 1 1 2 2 ILE HB H . . . 1 1 3 3 ALA H H . . . . . 3.58 1.66 5.50 . . . . . A . 1 ILE HB . . A . 2 ALA H . . . 1 . HB . . . . . 2 . H . . rr_2l2y 1
59 1 . . 1 1 2 2 ILE HG12 H . . . 1 1 3 3 ALA H H . . . . . 3.18 1.66 4.70 . . . . . A . 1 ILE HG12 . . A . 2 ALA H . . . 1 . HG12 . . . . . 2 . H . . rr_2l2y 1
60 1 . . 1 1 2 2 ILE HG13 H . . . 1 1 3 3 ALA H H . . . . . 3.97 1.61 6.33 . . . . . A . 1 ILE HG13 . . A . 2 ALA H . . . 1 . HG13 . . . . . 2 . H . . rr_2l2y 1
61 1 . . 1 1 2 2 ILE MG H . . . 1 1 3 3 ALA H H . . . . . 3.98 1.60 6.36 . . . . . A . 1 ILE MG . . A . 2 ALA H . . . 1 . HG2# . . . . . 2 . H . . rr_2l2y 1
62 1 . . 1 1 3 3 ALA HA H . . . 1 1 4 4 DHA H H . . . . . 2.06 1.53 2.59 . . . . . A . 2 ALA HA . . A . 3 DHA H . . . 2 . HA . . . . . 3 . H . . rr_2l2y 1
63 1 . . 1 1 3 3 ALA MB H . . . 1 1 4 4 DHA H H . . . . . 2.74 1.80 3.68 . . . . . A . 2 ALA MB . . A . 3 DHA H . . . 2 . HB# . . . . . 3 . H . . rr_2l2y 1
64 1 . . 1 1 3 3 ALA MB H . . . 1 1 4 4 DHA HB1 H . . . . . 3.81 1.27 6.35 . . . . . A . 2 ALA MB . . A . 3 DHA HB1 . . . 2 . HB# . . . . . 3 . HB1 . . rr_2l2y 1
65 1 . . 1 1 3 3 ALA MB H . . . 1 1 4 4 DHA HB2 H . . . . . 4.07 1.17 6.50 . . . . . A . 2 ALA MB . . A . 3 DHA HB2 . . . 2 . HB# . . . . . 3 . HB2 . . rr_2l2y 1
66 1 . . 1 1 4 4 DHA H H . . . 1 1 5 5 ALA H H . . . . . 3.27 1.67 4.87 . . . . . A . 3 DHA H . . A . 4 ALA H . . . 3 . H . . . . . 4 . H . . rr_2l2y 1
67 1 . . 1 1 4 4 DHA H H . . . 1 1 5 5 ALA MB H . . . . . 3.23 1.66 4.80 . . . . . A . 3 DHA H . . A . 4 ALA MB . . . 3 . H . . . . . 4 . HB# . . rr_2l2y 1
68 1 . . 1 1 4 4 DHA HB1 H . . . 1 1 5 5 ALA H H . . . . . 3.48 1.97 4.99 . . . . . A . 3 DHA HB1 . . A . 4 ALA H . . . 3 . HB1 . . . . . 4 . H . . rr_2l2y 1
69 1 . . 1 1 4 4 DHA HB1 H . . . 1 1 5 5 ALA MB H . . . . . 3.36 1.66 5.06 . . . . . A . 3 DHA HB1 . . A . 4 ALA MB . . . 3 . HB1 . . . . . 4 . HB# . . rr_2l2y 1
70 1 . . 1 1 4 4 DHA HB2 H . . . 1 1 5 5 ALA H H . . . . . 1.81 1.40 2.22 . . . . . A . 3 DHA HB2 . . A . 4 ALA H . . . 3 . HB2 . . . . . 4 . H . . rr_2l2y 1
71 1 . . 1 1 4 4 DHA HB2 H . . . 1 1 5 5 ALA MB H . . . . . 4.01 1.60 6.42 . . . . . A . 3 DHA HB2 . . A . 4 ALA MB . . . 3 . HB2 . . . . . 4 . HB# . . rr_2l2y 1
72 1 . . 1 1 5 5 ALA H H . . . 1 1 6 6 SER H H . . . . . 3.57 1.66 5.48 . . . . . A . 4 ALA H . . A . 5 SER H . . . 4 . H . . . . . 5 . H . . rr_2l2y 1
73 1 . . 1 1 5 5 ALA HA H . . . 1 1 6 6 SER H H . . . . . 2.16 1.58 2.74 . . . . . A . 4 ALA HA . . A . 5 SER H . . . 4 . HA . . . . . 5 . H . . rr_2l2y 1
74 1 . . 1 1 5 5 ALA MB H . . . 1 1 6 6 SER H H . . . . . 3.49 1.67 5.31 . . . . . A . 4 ALA MB . . A . 5 SER H . . . 4 . HB# . . . . . 5 . H . . rr_2l2y 1
75 1 . . 1 1 5 5 ALA MB H . . . 1 1 6 6 SER HB2 H . . . . . 3.68 1.31 6.05 . . . . . A . 4 ALA MB . . A . 5 SER HB2 . . . 4 . HB# . . . . . 5 . HB2 . . rr_2l2y 1
76 1 . . 1 1 6 6 SER HB2 H . . . 1 1 7 7 Bb9 HB H . . . . . 3.73 1.64 5.82 . . . . . A . 5 SER HB2 . . A . 6 BB9 HB . . . 5 . HB2 . . . . . 6 . HB . . rr_2l2y 1
77 1 . . 1 1 8 8 THR H H . . . 1 1 7 7 Bb9 HB H . . . . . 3.92 1.61 6.23 . . . . . A . 7 THR H . . A . 6 BB9 HB . . . 7 . H . . . . . 6 . HB . . rr_2l2y 1
78 1 . . 1 1 8 8 THR HA H . . . 1 1 7 7 Bb9 HB H . . . . . 4.74 0.81 6.50 . . . . . A . 7 THR HA . . A . 6 BB9 HB . . . 7 . HA . . . . . 6 . HB . . rr_2l2y 1
79 1 . . 1 1 8 8 THR HA H . . . 1 1 9 9 DBU HG* H . . . . . 2.64 1.77 3.51 . . . . . A . 7 THR HA . . A . 8 DBU HG* . . . 7 . HA . . . . . 8 . HG# . . rr_2l2y 1
80 1 . . 1 1 10 10 CYS HA H . . . 1 1 11 11 Ts9 H H . . . . . 3.28 1.67 4.89 . . . . . A . 9 CYS HA . . A . 10 TS9 H . . . 9 . HA . . . . . 10 . H . . rr_2l2y 1
81 1 . . 1 1 10 10 CYS HB2 H . . . 1 1 11 11 Ts9 HA H . . . . . 4.31 1.05 6.50 . . . . . A . 9 CYS HB2 . . A . 10 TS9 HA . . . 9 . HB2 . . . . . 10 . HA . . rr_2l2y 1
82 1 . . 1 1 11 11 Ts9 HA H . . . 1 1 12 12 Bb9 HB H . . . . . 4.74 0.81 6.50 . . . . . A . 10 TS9 HA . . A . 11 BB9 HB . . . 10 . HA . . . . . 11 . HB . . rr_2l2y 1
83 1 . . 1 1 13 13 THR HA H . . . 1 1 12 12 Bb9 HB H . . . . . 4.32 1.05 6.50 . . . . . A . 12 THR HA . . A . 11 BB9 HB . . . 12 . HA . . . . . 11 . HB . . rr_2l2y 1
84 1 . . 1 1 13 13 THR MG H . . . 1 1 12 12 Bb9 HB H . . . . . 3.30 1.40 5.20 . . . . . A . 12 THR MG . . A . 11 BB9 HB . . . 12 . HG2# . . . . . 11 . HB . . rr_2l2y 1
85 1 . . 1 1 17 17 DHA H H . . . 1 1 16 16 Bb9 HB H . . . . . 3.97 1.21 6.50 . . . . . A . 16 DHA H . . A . 15 BB9 HB . . . 16 . H . . . . . 15 . HB . . rr_2l2y 1
86 1 . . 1 1 17 17 DHA HB1 H . . . 1 1 16 16 Bb9 HB H . . . . . 4.35 1.51 6.50 . . . . . A . 16 DHA HB1 . . A . 15 BB9 HB . . . 16 . HB1 . . . . . 15 . HB . . rr_2l2y 1
87 1 . . 1 1 17 17 DHA HB2 H . . . 1 1 18 18 NH2 HN1 H . . . . . 3.29 1.94 4.64 . . . . . A . 16 DHA HB2 . . A . 17 NH2 HN1 . . . 16 . HB2 . . . . . 17 . HN1 . . rr_2l2y 1
88 1 . . 1 1 17 17 DHA HB2 H . . . 1 1 18 18 NH2 HN2 H . . . . . 2.22 1.48 2.96 . . . . . A . 16 DHA HB2 . . A . 17 NH2 HN2 . . . 16 . HB2 . . . . . 17 . HN2 . . rr_2l2y 1
89 1 . . 1 1 1 1 QUA HC3 H . . . 1 1 13 13 THR MG H . . . . . 3.98 1.20 6.50 . . . . . A . . QUA HC3 . . A . 12 THR MG . . . 0 . HC3 . . . . . 12 . HG2# . . rr_2l2y 1
90 1 . . 1 1 6 6 SER H H . . . 1 1 14 14 Bb9 HB H . . . . . 4.33 1.05 6.50 . . . . . A . 5 SER H . . A . 13 BB9 HB . . . 5 . H . . . . . 13 . HB . . rr_2l2y 1
91 1 . . 1 1 6 6 SER HB2 H . . . 1 1 14 14 Bb9 HB H . . . . . 5.51 0.20 6.50 . . . . . A . 5 SER HB2 . . A . 13 BB9 HB . . . 5 . HB2 . . . . . 13 . HB . . rr_2l2y 1
92 1 . . 1 1 6 6 SER HB3 H . . . 1 1 14 14 Bb9 HB H . . . . . 4.42 1.49 6.50 . . . . . A . 5 SER HB3 . . A . 13 BB9 HB . . . 5 . HB3 . . . . . 13 . HB . . rr_2l2y 1
93 1 . . 1 1 6 6 SER H H . . . 1 1 15 15 Mh6 HB2 H . . . . . 3.20 1.67 4.73 . . . . . A . 5 SER H . . A . 14 MH6 HB2 . . . 5 . H . . . . . 14 . HB2 . . rr_2l2y 1
94 1 . . 1 1 6 6 SER HB2 H . . . 1 1 15 15 Mh6 HB2 H . . . . . 2.94 1.86 4.02 . . . . . A . 5 SER HB2 . . A . 14 MH6 HB2 . . . 5 . HB2 . . . . . 14 . HB2 . . rr_2l2y 1
95 1 . . 1 1 6 6 SER HB2 H . . . 1 1 15 15 Mh6 HB3 H . . . . . 3.23 1.67 4.79 . . . . . A . 5 SER HB2 . . A . 14 MH6 HB3 . . . 5 . HB2 . . . . . 14 . HB3 . . rr_2l2y 1
96 1 . . 1 1 6 6 SER HB3 H . . . 1 1 15 15 Mh6 HB2 H . . . . . 2.64 1.77 3.51 . . . . . A . 5 SER HB3 . . A . 14 MH6 HB2 . . . 5 . HB3 . . . . . 14 . HB2 . . rr_2l2y 1
97 1 . . 1 1 6 6 SER HB3 H . . . 1 1 15 15 Mh6 HB3 H . . . . . 2.79 1.82 3.76 . . . . . A . 5 SER HB3 . . A . 14 MH6 HB3 . . . 5 . HB3 . . . . . 14 . HB3 . . rr_2l2y 1
98 1 . . 1 1 1 1 QUA HC3 H . . . 1 1 4 4 DHA HB1 H . . . . . 3.46 1.66 5.26 . . . . . A . . QUA HC3 . . A . 3 DHA HB1 . . . 0 . HC3 . . . . . 3 . HB1 . . rr_2l2y 1
99 1 . . 1 1 1 1 QUA HC3 H . . . 1 1 7 7 Bb9 HB H . . . . . 3.22 1.93 4.51 . . . . . A . . QUA HC3 . . A . 6 BB9 HB . . . 0 . HC3 . . . . . 6 . HB . . rr_2l2y 1
100 1 . . 1 1 1 1 QUA HC3 H . . . 1 1 8 8 THR HA H . . . . . 4.44 1.48 6.50 . . . . . A . . QUA HC3 . . A . 7 THR HA . . . 0 . HC3 . . . . . 7 . HA . . rr_2l2y 1
101 1 . . 1 1 1 1 QUA HC3 H . . . 1 1 8 8 THR HB H . . . . . 4.11 1.15 6.50 . . . . . A . . QUA HC3 . . A . 7 THR HB . . . 0 . HC3 . . . . . 7 . HB . . rr_2l2y 1
102 1 . . 1 1 1 1 QUA HC3 H . . . 1 1 8 8 THR MG H . . . . . 3.89 1.25 6.50 . . . . . A . . QUA HC3 . . A . 7 THR MG . . . 0 . HC3 . . . . . 7 . HG2# . . rr_2l2y 1
103 1 . . 1 1 1 1 QUA HC8 H . . . 1 1 3 3 ALA H H . . . . . 3.54 1.66 5.42 . . . . . A . . QUA HC8 . . A . 2 ALA H . . . 0 . HC8 . . . . . 2 . H . . rr_2l2y 1
104 1 . . 1 1 1 1 QUA H13 H . . . 1 1 7 7 Bb9 HB H . . . . . 4.34 1.51 6.50 . . . . . A . . QUA H13 . . A . 6 BB9 HB . . . 0 . H13 . . . . . 6 . HB . . rr_2l2y 1
105 1 . . 1 1 1 1 QUA M14 H . . . 1 1 4 4 DHA HB1 H . . . . . 2.55 1.73 3.37 . . . . . A . . QUA M14 . . A . 3 DHA HB1 . . . 0 . H14# . . . . . 3 . HB1 . . rr_2l2y 1
106 1 . . 1 1 1 1 QUA M14 H . . . 1 1 4 4 DHA HB2 H . . . . . 3.14 1.90 4.38 . . . . . A . . QUA M14 . . A . 3 DHA HB2 . . . 0 . H14# . . . . . 3 . HB2 . . rr_2l2y 1
107 1 . . 1 1 1 1 QUA M14 H . . . 1 1 7 7 Bb9 HB H . . . . . 4.37 1.51 6.50 . . . . . A . . QUA M14 . . A . 6 BB9 HB . . . 0 . H14# . . . . . 6 . HB . . rr_2l2y 1
108 1 . . 1 1 3 3 ALA H H . . . 1 1 13 13 THR MG H . . . . . 4.07 1.17 6.50 . . . . . A . 2 ALA H . . A . 12 THR MG . . . 2 . H . . . . . 12 . HG2# . . rr_2l2y 1
109 1 . . 1 1 3 3 ALA HA H . . . 1 1 13 13 THR MG H . . . . . 3.04 1.88 4.20 . . . . . A . 2 ALA HA . . A . 12 THR MG . . . 2 . HA . . . . . 12 . HG2# . . rr_2l2y 1
110 1 . . 1 1 4 4 DHA H H . . . 1 1 8 8 THR H H . . . . . 3.76 1.29 6.23 . . . . . A . 3 DHA H . . A . 7 THR H . . . 3 . H . . . . . 7 . H . . rr_2l2y 1
111 1 . . 1 1 4 4 DHA H H . . . 1 1 13 13 THR HB H . . . . . 3.50 1.66 5.34 . . . . . A . 3 DHA H . . A . 12 THR HB . . . 3 . H . . . . . 12 . HB . . rr_2l2y 1
112 1 . . 1 1 4 4 DHA H H . . . 1 1 13 13 THR MG H . . . . . 2.48 1.71 3.25 . . . . . A . 3 DHA H . . A . 12 THR MG . . . 3 . H . . . . . 12 . HG2# . . rr_2l2y 1
113 1 . . 1 1 5 5 ALA HA H . . . 1 1 8 8 THR H H . . . . . 4.11 1.57 6.50 . . . . . A . 4 ALA HA . . A . 7 THR H . . . 4 . HA . . . . . 7 . H . . rr_2l2y 1
114 1 . . 1 1 5 5 ALA HA H . . . 1 1 13 13 THR HA H . . . . . 4.94 0.67 6.50 . . . . . A . 4 ALA HA . . A . 12 THR HA . . . 4 . HA . . . . . 12 . HA . . rr_2l2y 1
115 1 . . 1 1 5 5 ALA HA H . . . 1 1 13 13 THR HB H . . . . . 2.68 1.78 3.58 . . . . . A . 4 ALA HA . . A . 12 THR HB . . . 4 . HA . . . . . 12 . HB . . rr_2l2y 1
116 1 . . 1 1 5 5 ALA HA H . . . 1 1 13 13 THR MG H . . . . . 3.51 1.67 5.35 . . . . . A . 4 ALA HA . . A . 12 THR MG . . . 4 . HA . . . . . 12 . HG2# . . rr_2l2y 1
117 1 . . 1 1 5 5 ALA MB H . . . 1 1 13 13 THR HA H . . . . . 4.86 0.72 6.50 . . . . . A . 4 ALA MB . . A . 12 THR HA . . . 4 . HB# . . . . . 12 . HA . . rr_2l2y 1
118 1 . . 1 1 5 5 ALA MB H . . . 1 1 13 13 THR HB H . . . . . 4.56 1.44 6.50 . . . . . A . 4 ALA MB . . A . 12 THR HB . . . 4 . HB# . . . . . 12 . HB . . rr_2l2y 1
119 1 . . 1 1 5 5 ALA MB H . . . 1 1 15 15 Mh6 HB2 H . . . . . 3.66 1.65 5.67 . . . . . A . 4 ALA MB . . A . 14 MH6 HB2 . . . 4 . HB# . . . . . 14 . HB2 . . rr_2l2y 1
120 1 . . 1 1 6 6 SER H H . . . 1 1 8 8 THR H H . . . . . 3.64 1.32 5.96 . . . . . A . 5 SER H . . A . 7 THR H . . . 5 . H . . . . . 7 . H . . rr_2l2y 1
121 1 . . 1 1 6 6 SER H H . . . 1 1 13 13 THR HA H . . . . . 3.88 1.63 6.13 . . . . . A . 5 SER H . . A . 12 THR HA . . . 5 . H . . . . . 12 . HA . . rr_2l2y 1
122 1 . . 1 1 6 6 SER H H . . . 1 1 13 13 THR HB H . . . . . 2.58 1.75 3.41 . . . . . A . 5 SER H . . A . 12 THR HB . . . 5 . H . . . . . 12 . HB . . rr_2l2y 1
123 1 . . 1 1 6 6 SER H H . . . 1 1 13 13 THR MG H . . . . . 4.04 1.60 6.48 . . . . . A . 5 SER H . . A . 12 THR MG . . . 5 . H . . . . . 12 . HG2# . . rr_2l2y 1
124 1 . . 1 1 9 9 DBU HG* H . . . 1 1 7 7 Bb9 HB H . . . . . 3.56 1.34 5.78 . . . . . A . 8 DBU HG* . . A . 6 BB9 HB . . . 8 . HG# . . . . . 6 . HB . . rr_2l2y 1
125 1 . . 1 1 8 8 THR H H . . . 1 1 14 14 Bb9 HB H . . . . . 2.49 1.71 3.27 . . . . . A . 7 THR H . . A . 13 BB9 HB . . . 7 . H . . . . . 13 . HB . . rr_2l2y 1
126 1 . . 1 1 8 8 THR HA H . . . 1 1 14 14 Bb9 HB H . . . . . 4.88 1.31 6.50 . . . . . A . 7 THR HA . . A . 13 BB9 HB . . . 7 . HA . . . . . 13 . HB . . rr_2l2y 1
127 1 . . 1 1 8 8 THR MG H . . . 1 1 10 10 CYS HA H . . . . . 4.56 0.93 6.50 . . . . . A . 7 THR MG . . A . 9 CYS HA . . . 7 . HG2# . . . . . 9 . HA . . rr_2l2y 1
128 1 . . 1 1 8 8 THR MG H . . . 1 1 11 11 Ts9 H H . . . . . 2.67 1.78 3.56 . . . . . A . 7 THR MG . . A . 10 TS9 H . . . 7 . HG2# . . . . . 10 . H . . rr_2l2y 1
129 1 . . 1 1 8 8 THR MG H . . . 1 1 13 13 THR H H . . . . . 2.97 1.87 4.07 . . . . . A . 7 THR MG . . A . 12 THR H . . . 7 . HG2# . . . . . 12 . H . . rr_2l2y 1
130 1 . . 1 1 8 8 THR MG H . . . 1 1 13 13 THR HA H . . . . . 4.67 1.40 6.50 . . . . . A . 7 THR MG . . A . 12 THR HA . . . 7 . HG2# . . . . . 12 . HA . . rr_2l2y 1
131 1 . . 1 1 8 8 THR MG H . . . 1 1 14 14 Bb9 HB H . . . . . 3.48 1.67 5.29 . . . . . A . 7 THR MG . . A . 13 BB9 HB . . . 7 . HG2# . . . . . 13 . HB . . rr_2l2y 1
132 1 . . 1 1 15 15 Mh6 HB2 H . . . 1 1 17 17 DHA H H . . . . . 3.97 1.60 6.34 . . . . . A . 14 MH6 HB2 . . A . 16 DHA H . . . 14 . HB2 . . . . . 16 . H . . rr_2l2y 1
133 1 . . 1 1 15 15 Mh6 HB3 H . . . 1 1 17 17 DHA H H . . . . . 3.75 1.64 5.86 . . . . . A . 14 MH6 HB3 . . A . 16 DHA H . . . 14 . HB3 . . . . . 16 . H . . rr_2l2y 1
stop_
loop_
_Gen_dist_constraint_parse_err.ID
_Gen_dist_constraint_parse_err.Content
_Gen_dist_constraint_parse_err.Begin_line
_Gen_dist_constraint_parse_err.Begin_column
_Gen_dist_constraint_parse_err.End_line
_Gen_dist_constraint_parse_err.End_column
_Gen_dist_constraint_parse_err.Entry_ID
_Gen_dist_constraint_parse_err.Gen_dist_constraint_list_ID
1 "# Intraresidue NOEs" 1 1 1 19 rr_2l2y 1
2 "# Sequential NOEs" 62 1 62 17 rr_2l2y 1
3 "# Medium and long range NOEs" 125 1 125 28 rr_2l2y 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 33 1 "Not handling restraint 33, item 1, resonance(s) ' .8.H1' (nmrStar names) not linked" rr_2l2y 1
2 2 34 1 "Not handling restraint 34, item 1, resonance(s) ' .8.HB1' (nmrStar names) not linked" rr_2l2y 1
3 2 39 1 "Not handling restraint 39, item 1, resonance(s) ' .10.HG2#' (nmrStar names) not linked" rr_2l2y 1
4 2 40 1 "Not handling restraint 40, item 1, resonance(s) ' .10.HD1#' (nmrStar names) not linked" rr_2l2y 1
5 2 42 1 "Not handling restraint 42, item 1, resonance(s) ' .10.HG2#' (nmrStar names) not linked" rr_2l2y 1
6 2 43 1 "Not handling restraint 43, item 1, resonance(s) ' .10.HD1#' (nmrStar names) not linked" rr_2l2y 1
7 2 44 1 "Not handling restraint 44, item 1, resonance(s) ' .10.HG2#' (nmrStar names) not linked" rr_2l2y 1
8 2 45 1 "Not handling restraint 45, item 1, resonance(s) ' .10.HD1#' (nmrStar names) not linked" rr_2l2y 1
9 2 52 1 "Not handling restraint 52, item 1, resonance(s) ' .13.HC' (nmrStar names) not linked" rr_2l2y 1
10 2 88 1 "Not handling restraint 88, item 1, resonance(s) ' .8.H1' (nmrStar names) not linked" rr_2l2y 1
11 2 89 1 "Not handling restraint 89, item 1, resonance(s) ' .8.H1' (nmrStar names) not linked" rr_2l2y 1
12 2 91 1 "Not handling restraint 91, item 1, resonance(s) ' .8.H1' (nmrStar names) not linked" rr_2l2y 1
13 2 92 1 "Not handling restraint 92, item 1, resonance(s) ' .8.H1' (nmrStar names) not linked" rr_2l2y 1
14 2 96 1 "Not handling restraint 96, item 1, resonance(s) ' .10.HG2#' (nmrStar names) not linked" rr_2l2y 1
15 2 99 1 "Not handling restraint 99, item 1, resonance(s) ' .13.HC' (nmrStar names) not linked" rr_2l2y 1
16 2 100 1 "Not handling restraint 100, item 1, resonance(s) ' .13.HC' (nmrStar names) not linked" rr_2l2y 1
17 2 107 1 "Not handling restraint 107, item 1, resonance(s) ' .13.HC' (nmrStar names) not linked" rr_2l2y 1
18 2 109 1 "Not handling restraint 109, item 1, resonance(s) ' .13.HC' (nmrStar names) not linked" rr_2l2y 1
19 2 111 1 "Not handling restraint 111, item 1, resonance(s) ' .13.HC' (nmrStar names) not linked" rr_2l2y 1
20 2 123 1 "Not handling restraint 123, item 1, resonance(s) ' .10.HD1#' (nmrStar names) not linked" rr_2l2y 1
21 2 124 1 "Not handling restraint 124, item 1, resonance(s) ' .10.HG2#' (nmrStar names) not linked" rr_2l2y 1
22 2 129 1 "Not handling restraint 129, item 1, resonance(s) ' .10.HD1#' (nmrStar names) not linked" rr_2l2y 1
23 2 130 1 "Not handling restraint 130, item 1, resonance(s) ' .10.HG2#' (nmrStar names) not linked" rr_2l2y 1
24 2 149 1 "Not handling restraint 149, item 1, resonance(s) ' .13.HC' (nmrStar names) not linked" rr_2l2y 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_3
_Gen_dist_constraint_list.Entry_ID rr_2l2y
_Gen_dist_constraint_list.ID 2
_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 3
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_2l2y 2
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 OR . 1 1 1 1 QUA HC8 H . . . 1 1 2 2 ILE HG13 H . . . . . 4.29 1.53 6.50 . . . . . A . . QUA HC8 . . A . 1 ILE HG13 . . . 0 . HC8 . . . . . 1 . HG13 . . rr_2l2y 2
1 2 OR . 1 1 1 1 QUA M14 H . . . 1 1 8 8 THR HA H . . . . . 4.29 1.53 6.50 . . . . . A . . QUA M14 . . A . 7 THR HA . . . 0 . H14# . . . . . 7 . HA . . rr_2l2y 2
1 3 OR . 1 1 1 1 QUA M14 H . . . 1 1 1 1 QUA HC8 H . . . . . 4.29 1.53 6.50 . . . . . A . . QUA M14 . . A . . QUA HC8 . . . 0 . H14# . . . . . 0 . HC8 . . rr_2l2y 2
2 1 OR . 1 1 1 1 QUA HC6 H . . . 1 1 2 2 ILE HG13 H . . . . . 4.19 1.55 6.50 . . . . . A . . QUA HC6 . . A . 1 ILE HG13 . . . 0 . HC6 . . . . . 1 . HG13 . . rr_2l2y 2
2 2 OR . 1 1 1 1 QUA M14 H . . . 1 1 1 1 QUA HC6 H . . . . . 4.19 1.55 6.50 . . . . . A . . QUA M14 . . A . . QUA HC6 . . . 0 . H14# . . . . . 0 . HC6 . . rr_2l2y 2
3 1 OR . 1 1 1 1 QUA M14 H . . . 1 1 3 3 ALA H H . . . . . 3.76 1.63 5.89 . . . . . A . . QUA M14 . . A . 2 ALA H . . . 0 . H14# . . . . . 2 . H . . rr_2l2y 2
3 2 OR . 1 1 2 2 ILE HG13 H . . . 1 1 3 3 ALA H H . . . . . 3.76 1.63 5.89 . . . . . A . 1 ILE HG13 . . A . 2 ALA H . . . 1 . HG13 . . . . . 2 . H . . rr_2l2y 2
4 1 OR . 1 1 1 1 QUA HC3 H . . . 1 1 4 4 DHA HB2 H . . . . . 3.15 1.66 4.64 . . . . . A . . QUA HC3 . . A . 3 DHA HB2 . . . 0 . HC3 . . . . . 3 . HB2 . . rr_2l2y 2
4 2 OR . 1 1 1 1 QUA HC3 H . . . 1 1 1 1 QUA H13 H . . . . . 3.15 1.66 4.64 . . . . . A . . QUA HC3 . . A . . QUA H13 . . . 0 . HC3 . . . . . 0 . H13 . . rr_2l2y 2
5 1 OR . 1 1 1 1 QUA HC6 H . . . 1 1 8 8 THR HA H . . . . . 4.92 0.69 6.50 . . . . . A . . QUA HC6 . . A . 7 THR HA . . . 0 . HC6 . . . . . 7 . HA . . rr_2l2y 2
5 2 OR . 1 1 1 1 QUA HC6 H . . . 1 1 1 1 QUA HC8 H . . . . . 4.92 0.69 6.50 . . . . . A . . QUA HC6 . . A . . QUA HC8 . . . 0 . HC6 . . . . . 0 . HC8 . . rr_2l2y 2
6 1 OR . 1 1 1 1 QUA HC8 H . . . 1 1 8 8 THR MG H . . . . . 3.48 1.66 5.30 . . . . . A . . QUA HC8 . . A . 7 THR MG . . . 0 . HC8 . . . . . 7 . HG2# . . rr_2l2y 2
6 2 OR . 1 1 8 8 THR HA H . . . 1 1 8 8 THR MG H . . . . . 3.48 1.66 5.30 . . . . . A . 7 THR HA . . A . 7 THR MG . . . 7 . HA . . . . . 7 . HG2# . . rr_2l2y 2
7 1 OR . 1 1 1 1 QUA HC3 H . . . 1 1 9 9 DBU HG* H . . . . . 3.43 1.67 5.19 . . . . . A . . QUA HC3 . . A . 8 DBU HG* . . . 0 . HC3 . . . . . 8 . HG# . . rr_2l2y 2
7 2 OR . 1 1 1 1 QUA HC3 H . . . 1 1 13 13 THR MG H . . . . . 3.43 1.67 5.19 . . . . . A . . QUA HC3 . . A . 12 THR MG . . . 0 . HC3 . . . . . 12 . HG2# . . rr_2l2y 2
8 1 OR . 1 1 8 8 THR H H . . . 1 1 13 13 THR MG H . . . . . 2.94 1.64 4.24 . . . . . A . 7 THR H . . A . 12 THR MG . . . 7 . H . . . . . 12 . HG2# . . rr_2l2y 2
8 2 OR . 1 1 8 8 THR H H . . . 1 1 9 9 DBU HG* H . . . . . 2.94 1.64 4.24 . . . . . A . 7 THR H . . A . 8 DBU HG* . . . 7 . H . . . . . 8 . HG# . . rr_2l2y 2
9 1 OR . 1 1 13 13 THR MG H . . . 1 1 14 14 Bb9 HB H . . . . . 3.68 1.65 5.71 . . . . . A . 12 THR MG . . A . 13 BB9 HB . . . 12 . HG2# . . . . . 13 . HB . . rr_2l2y 2
9 2 OR . 1 1 9 9 DBU HG* H . . . 1 1 14 14 Bb9 HB H . . . . . 3.68 1.65 5.71 . . . . . A . 8 DBU HG* . . A . 13 BB9 HB . . . 8 . HG# . . . . . 13 . HB . . rr_2l2y 2
stop_
loop_
_Gen_dist_constraint_parse_err.ID
_Gen_dist_constraint_parse_err.Content
_Gen_dist_constraint_parse_err.Begin_line
_Gen_dist_constraint_parse_err.Begin_column
_Gen_dist_constraint_parse_err.End_line
_Gen_dist_constraint_parse_err.End_column
_Gen_dist_constraint_parse_err.Entry_ID
_Gen_dist_constraint_parse_err.Gen_dist_constraint_list_ID
1 "# Ambiguous NOEs" 1 1 1 16 rr_2l2y 2
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 3 7 1 "Not handling restraint 7, item 3, resonance(s) ' .8.HB1' (nmrStar names) not linked" rr_2l2y 2
2 3 8 1 "Not handling restraint 8, item 4, resonance(s) ' .13.HC' (nmrStar names) not linked" rr_2l2y 2
3 3 8 1 "Not handling restraint 8, item 5, resonance(s) ' .13.HC' (nmrStar names) not linked" rr_2l2y 2
4 3 10 1 "Not handling restraint 10, item 3, resonance(s) ' .8.HB1' (nmrStar names) not linked" rr_2l2y 2
5 3 11 1 "Not handling restraint 11, item 3, resonance(s) ' .10.HG2#' (nmrStar names) not linked" rr_2l2y 2
stop_
save_
save_CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Entry_ID rr_2l2y
_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_2l2y 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_2l2y 1
2 1 . . . rr_2l2y 1
3 1 . . . rr_2l2y 1
4 1 . . . rr_2l2y 1
5 1 . . . rr_2l2y 1
6 1 . . . rr_2l2y 1
7 1 . . . rr_2l2y 1
8 1 . . . rr_2l2y 1
9 1 . . . rr_2l2y 1
10 1 . . . rr_2l2y 1
11 1 . . . rr_2l2y 1
12 1 . . . rr_2l2y 1
13 1 . . . rr_2l2y 1
14 1 . . . rr_2l2y 1
15 1 . . . rr_2l2y 1
16 1 . . . rr_2l2y 1
17 1 . . . rr_2l2y 1
18 1 . . . rr_2l2y 1
19 1 . . . rr_2l2y 1
20 1 . . . rr_2l2y 1
21 1 . . . rr_2l2y 1
22 1 . . . rr_2l2y 1
23 1 . . . rr_2l2y 1
24 1 . . . rr_2l2y 1
25 1 . . . rr_2l2y 1
26 1 . . . rr_2l2y 1
27 1 . . . rr_2l2y 1
28 1 . . . rr_2l2y 1
29 1 . . . rr_2l2y 1
30 1 . . . rr_2l2y 1
31 1 . . . rr_2l2y 1
32 1 . . . rr_2l2y 1
33 1 . . . rr_2l2y 1
34 1 . . . rr_2l2y 1
35 1 . . . rr_2l2y 1
36 1 . . . rr_2l2y 1
37 1 . . . rr_2l2y 1
38 1 . . . rr_2l2y 1
39 1 . . . rr_2l2y 1
40 1 . . . rr_2l2y 1
41 1 . . . rr_2l2y 1
42 1 . . . rr_2l2y 1
43 1 . . . rr_2l2y 1
44 1 . . . rr_2l2y 1
45 1 . . . rr_2l2y 1
46 1 . . . rr_2l2y 1
47 1 . . . rr_2l2y 1
48 1 . . . rr_2l2y 1
49 1 . . . rr_2l2y 1
50 1 . . . rr_2l2y 1
51 1 . . . rr_2l2y 1
52 1 . . . rr_2l2y 1
53 1 . . . rr_2l2y 1
54 1 . . . rr_2l2y 1
55 1 . . . rr_2l2y 1
56 1 . . . rr_2l2y 1
57 1 . . . rr_2l2y 1
58 1 . . . rr_2l2y 1
59 1 . . . rr_2l2y 1
60 1 . . . rr_2l2y 1
61 1 . . . rr_2l2y 1
62 1 . . . rr_2l2y 1
63 1 . . . rr_2l2y 1
64 1 . . . rr_2l2y 1
65 1 . . . rr_2l2y 1
66 1 . . . rr_2l2y 1
67 1 . . . rr_2l2y 1
68 1 . . . rr_2l2y 1
69 1 . . . rr_2l2y 1
70 1 . . . rr_2l2y 1
71 1 . . . rr_2l2y 1
72 1 . . . rr_2l2y 1
73 1 . . . rr_2l2y 1
74 1 . . . rr_2l2y 1
75 1 . . . rr_2l2y 1
76 1 . . . rr_2l2y 1
77 1 . . . rr_2l2y 1
78 1 . . . rr_2l2y 1
79 1 . . . rr_2l2y 1
80 1 . . . rr_2l2y 1
81 1 . . . rr_2l2y 1
82 1 . . . rr_2l2y 1
83 1 . . . rr_2l2y 1
84 1 . . . rr_2l2y 1
85 1 . . . rr_2l2y 1
86 1 . . . rr_2l2y 1
87 1 . . . rr_2l2y 1
88 1 . . . rr_2l2y 1
89 1 . . . rr_2l2y 1
90 1 . . . rr_2l2y 1
91 1 . . . rr_2l2y 1
92 1 . . . rr_2l2y 1
93 1 . . . rr_2l2y 1
94 1 . . . rr_2l2y 1
95 1 . . . rr_2l2y 1
96 1 . . . rr_2l2y 1
97 1 . . . rr_2l2y 1
98 1 . . . rr_2l2y 1
99 1 . . . rr_2l2y 1
100 1 . . . rr_2l2y 1
101 1 . . . rr_2l2y 1
102 1 . . . rr_2l2y 1
103 1 . . . rr_2l2y 1
104 1 . . . rr_2l2y 1
105 1 . . . rr_2l2y 1
106 1 . . . rr_2l2y 1
107 1 . . . rr_2l2y 1
108 1 . . . rr_2l2y 1
109 1 . . . rr_2l2y 1
110 1 . . . rr_2l2y 1
111 1 . . . rr_2l2y 1
112 1 . . . rr_2l2y 1
113 1 . . . rr_2l2y 1
114 1 . . . rr_2l2y 1
115 1 . . . rr_2l2y 1
116 1 . . . rr_2l2y 1
117 1 . . . rr_2l2y 1
118 1 . . . rr_2l2y 1
119 1 . . . rr_2l2y 1
120 1 . . . rr_2l2y 1
121 1 . . . rr_2l2y 1
122 1 . . . rr_2l2y 1
123 1 . . . rr_2l2y 1
124 1 . . . rr_2l2y 1
125 1 . . . rr_2l2y 1
126 1 . . . rr_2l2y 1
127 1 . . . rr_2l2y 1
128 1 . . . rr_2l2y 1
129 1 . . . rr_2l2y 1
130 1 . . . rr_2l2y 1
131 1 . . . rr_2l2y 1
132 1 . . . rr_2l2y 1
133 1 . . . rr_2l2y 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 1 1 QUA HC3 H . . . . 0 . HC3 rr_2l2y 1
1 1 . 2 . 1 1 1 1 QUA H13 H . . . . 0 . H13 rr_2l2y 1
2 1 . 1 . 1 1 1 1 QUA HC3 H . . . . 0 . HC3 rr_2l2y 1
2 1 . 2 . 1 1 1 1 QUA M14 H . . . . 0 . H14# rr_2l2y 1
3 1 . 1 . 1 1 1 1 QUA HC3 H . . . . 0 . HC3 rr_2l2y 1
3 1 . 2 . 1 1 1 1 QUA HC5 H . . . . 0 . HC5 rr_2l2y 1
4 1 . 1 . 1 1 1 1 QUA HC5 H . . . . 0 . HC5 rr_2l2y 1
4 1 . 2 . 1 1 1 1 QUA H13 H . . . . 0 . H13 rr_2l2y 1
5 1 . 1 . 1 1 1 1 QUA HC5 H . . . . 0 . HC5 rr_2l2y 1
5 1 . 2 . 1 1 1 1 QUA M14 H . . . . 0 . H14# rr_2l2y 1
6 1 . 1 . 1 1 1 1 QUA HC5 H . . . . 0 . HC5 rr_2l2y 1
6 1 . 2 . 1 1 1 1 QUA HC6 H . . . . 0 . HC6 rr_2l2y 1
7 1 . 1 . 1 1 1 1 QUA HC6 H . . . . 0 . HC6 rr_2l2y 1
7 1 . 2 . 1 1 1 1 QUA H13 H . . . . 0 . H13 rr_2l2y 1
8 1 . 1 . 1 1 1 1 QUA HC6 H . . . . 0 . HC6 rr_2l2y 1
8 1 . 2 . 1 1 1 1 QUA HC71 H . . . . 0 . HC71 rr_2l2y 1
9 1 . 1 . 1 1 1 1 QUA HC6 H . . . . 0 . HC6 rr_2l2y 1
9 1 . 2 . 1 1 1 1 QUA HC8 H . . . . 0 . HC8 rr_2l2y 1
10 1 . 1 . 1 1 1 1 QUA H13 H . . . . 0 . H13 rr_2l2y 1
10 1 . 2 . 1 1 1 1 QUA M14 H . . . . 0 . H14# rr_2l2y 1
11 1 . 1 . 1 1 2 2 ILE HA H . . . . 1 . HA rr_2l2y 1
11 1 . 2 . 1 1 2 2 ILE HB H . . . . 1 . HB rr_2l2y 1
12 1 . 1 . 1 1 2 2 ILE HA H . . . . 1 . HA rr_2l2y 1
12 1 . 2 . 1 1 2 2 ILE HG12 H . . . . 1 . HG12 rr_2l2y 1
13 1 . 1 . 1 1 2 2 ILE HA H . . . . 1 . HA rr_2l2y 1
13 1 . 2 . 1 1 2 2 ILE MG H . . . . 1 . HG2# rr_2l2y 1
14 1 . 1 . 1 1 2 2 ILE HA H . . . . 1 . HA rr_2l2y 1
14 1 . 2 . 1 1 2 2 ILE MD H . . . . 1 . HD1# rr_2l2y 1
15 1 . 1 . 1 1 2 2 ILE HB H . . . . 1 . HB rr_2l2y 1
15 1 . 2 . 1 1 2 2 ILE HG12 H . . . . 1 . HG12 rr_2l2y 1
16 1 . 1 . 1 1 2 2 ILE HB H . . . . 1 . HB rr_2l2y 1
16 1 . 2 . 1 1 2 2 ILE HG13 H . . . . 1 . HG13 rr_2l2y 1
17 1 . 1 . 1 1 2 2 ILE HG13 H . . . . 1 . HG13 rr_2l2y 1
17 1 . 2 . 1 1 2 2 ILE MD H . . . . 1 . HD1# rr_2l2y 1
18 1 . 1 . 1 1 3 3 ALA H H . . . . 2 . H rr_2l2y 1
18 1 . 2 . 1 1 3 3 ALA HA H . . . . 2 . HA rr_2l2y 1
19 1 . 1 . 1 1 3 3 ALA H H . . . . 2 . H rr_2l2y 1
19 1 . 2 . 1 1 3 3 ALA MB H . . . . 2 . HB# rr_2l2y 1
20 1 . 1 . 1 1 3 3 ALA HA H . . . . 2 . HA rr_2l2y 1
20 1 . 2 . 1 1 3 3 ALA MB H . . . . 2 . HB# rr_2l2y 1
21 1 . 1 . 1 1 4 4 DHA H H . . . . 3 . H rr_2l2y 1
21 1 . 2 . 1 1 4 4 DHA HB1 H . . . . 3 . HB1 rr_2l2y 1
22 1 . 1 . 1 1 4 4 DHA H H . . . . 3 . H rr_2l2y 1
22 1 . 2 . 1 1 4 4 DHA HB2 H . . . . 3 . HB2 rr_2l2y 1
23 1 . 1 . 1 1 4 4 DHA HB1 H . . . . 3 . HB1 rr_2l2y 1
23 1 . 2 . 1 1 4 4 DHA HB2 H . . . . 3 . HB2 rr_2l2y 1
24 1 . 1 . 1 1 5 5 ALA H H . . . . 4 . H rr_2l2y 1
24 1 . 2 . 1 1 5 5 ALA HA H . . . . 4 . HA rr_2l2y 1
25 1 . 1 . 1 1 5 5 ALA H H . . . . 4 . H rr_2l2y 1
25 1 . 2 . 1 1 5 5 ALA MB H . . . . 4 . HB# rr_2l2y 1
26 1 . 1 . 1 1 5 5 ALA HA H . . . . 4 . HA rr_2l2y 1
26 1 . 2 . 1 1 5 5 ALA MB H . . . . 4 . HB# rr_2l2y 1
27 1 . 1 . 1 1 6 6 SER H H . . . . 5 . H rr_2l2y 1
27 1 . 2 . 1 1 6 6 SER HB2 H . . . . 5 . HB2 rr_2l2y 1
28 1 . 1 . 1 1 6 6 SER H H . . . . 5 . H rr_2l2y 1
28 1 . 2 . 1 1 6 6 SER HB3 H . . . . 5 . HB3 rr_2l2y 1
29 1 . 1 . 1 1 6 6 SER HB2 H . . . . 5 . HB2 rr_2l2y 1
29 1 . 2 . 1 1 6 6 SER HB3 H . . . . 5 . HB3 rr_2l2y 1
30 1 . 1 . 1 1 8 8 THR H H . . . . 7 . H rr_2l2y 1
30 1 . 2 . 1 1 8 8 THR HA H . . . . 7 . HA rr_2l2y 1
31 1 . 1 . 1 1 8 8 THR H H . . . . 7 . H rr_2l2y 1
31 1 . 2 . 1 1 8 8 THR MG H . . . . 7 . HG2# rr_2l2y 1
32 1 . 1 . 1 1 8 8 THR HA H . . . . 7 . HA rr_2l2y 1
32 1 . 2 . 1 1 8 8 THR HB H . . . . 7 . HB rr_2l2y 1
33 1 . 1 . 1 1 10 10 CYS HA H . . . . 9 . HA rr_2l2y 1
33 1 . 2 . 1 1 10 10 CYS HB2 H . . . . 9 . HB2 rr_2l2y 1
34 1 . 1 . 1 1 10 10 CYS HA H . . . . 9 . HA rr_2l2y 1
34 1 . 2 . 1 1 10 10 CYS HB3 H . . . . 9 . HB3 rr_2l2y 1
35 1 . 1 . 1 1 11 11 Ts9 H H . . . . 10 . H rr_2l2y 1
35 1 . 2 . 1 1 11 11 Ts9 HA H . . . . 10 . HA rr_2l2y 1
36 1 . 1 . 1 1 11 11 Ts9 H H . . . . 10 . H rr_2l2y 1
36 1 . 2 . 1 1 11 11 Ts9 HG1 H . . . . 10 . HG1 rr_2l2y 1
37 1 . 1 . 1 1 11 11 Ts9 HA H . . . . 10 . HA rr_2l2y 1
37 1 . 2 . 1 1 11 11 Ts9 HG1 H . . . . 10 . HG1 rr_2l2y 1
38 1 . 1 . 1 1 13 13 THR H H . . . . 12 . H rr_2l2y 1
38 1 . 2 . 1 1 13 13 THR HA H . . . . 12 . HA rr_2l2y 1
39 1 . 1 . 1 1 13 13 THR H H . . . . 12 . H rr_2l2y 1
39 1 . 2 . 1 1 13 13 THR HB H . . . . 12 . HB rr_2l2y 1
40 1 . 1 . 1 1 13 13 THR H H . . . . 12 . H rr_2l2y 1
40 1 . 2 . 1 1 13 13 THR MG H . . . . 12 . HG2# rr_2l2y 1
41 1 . 1 . 1 1 13 13 THR HA H . . . . 12 . HA rr_2l2y 1
41 1 . 2 . 1 1 13 13 THR HB H . . . . 12 . HB rr_2l2y 1
42 1 . 1 . 1 1 13 13 THR HA H . . . . 12 . HA rr_2l2y 1
42 1 . 2 . 1 1 13 13 THR MG H . . . . 12 . HG2# rr_2l2y 1
43 1 . 1 . 1 1 13 13 THR HB H . . . . 12 . HB rr_2l2y 1
43 1 . 2 . 1 1 13 13 THR MG H . . . . 12 . HG2# rr_2l2y 1
44 1 . 1 . 1 1 15 15 Mh6 HB2 H . . . . 14 . HB2 rr_2l2y 1
44 1 . 2 . 1 1 15 15 Mh6 HB3 H . . . . 14 . HB3 rr_2l2y 1
45 1 . 1 . 1 1 17 17 DHA H H . . . . 16 . H rr_2l2y 1
45 1 . 2 . 1 1 17 17 DHA HB1 H . . . . 16 . HB1 rr_2l2y 1
46 1 . 1 . 1 1 17 17 DHA H H . . . . 16 . H rr_2l2y 1
46 1 . 2 . 1 1 17 17 DHA HB2 H . . . . 16 . HB2 rr_2l2y 1
47 1 . 1 . 1 1 17 17 DHA HB1 H . . . . 16 . HB1 rr_2l2y 1
47 1 . 2 . 1 1 17 17 DHA HB2 H . . . . 16 . HB2 rr_2l2y 1
48 1 . 1 . 1 1 18 18 NH2 HN1 H . . . . 17 . HN1 rr_2l2y 1
48 1 . 2 . 1 1 18 18 NH2 HN2 H . . . . 17 . HN2 rr_2l2y 1
49 1 . 1 . 1 1 1 1 QUA HC6 H . . . . 0 . HC6 rr_2l2y 1
49 1 . 2 . 1 1 2 2 ILE HA H . . . . 1 . HA rr_2l2y 1
50 1 . 1 . 1 1 1 1 QUA HC6 H . . . . 0 . HC6 rr_2l2y 1
50 1 . 2 . 1 1 2 2 ILE MG H . . . . 1 . HG2# rr_2l2y 1
51 1 . 1 . 1 1 1 1 QUA HC71 H . . . . 0 . HC71 rr_2l2y 1
51 1 . 2 . 1 1 2 2 ILE HA H . . . . 1 . HA rr_2l2y 1
52 1 . 1 . 1 1 1 1 QUA HC8 H . . . . 0 . HC8 rr_2l2y 1
52 1 . 2 . 1 1 2 2 ILE HA H . . . . 1 . HA rr_2l2y 1
53 1 . 1 . 1 1 1 1 QUA HC8 H . . . . 0 . HC8 rr_2l2y 1
53 1 . 2 . 1 1 2 2 ILE HB H . . . . 1 . HB rr_2l2y 1
54 1 . 1 . 1 1 1 1 QUA HC8 H . . . . 0 . HC8 rr_2l2y 1
54 1 . 2 . 1 1 2 2 ILE HG12 H . . . . 1 . HG12 rr_2l2y 1
55 1 . 1 . 1 1 1 1 QUA M14 H . . . . 0 . H14# rr_2l2y 1
55 1 . 2 . 1 1 2 2 ILE MD H . . . . 1 . HD1# rr_2l2y 1
56 1 . 1 . 1 1 2 2 ILE HA H . . . . 1 . HA rr_2l2y 1
56 1 . 2 . 1 1 3 3 ALA H H . . . . 2 . H rr_2l2y 1
57 1 . 1 . 1 1 2 2 ILE HA H . . . . 1 . HA rr_2l2y 1
57 1 . 2 . 1 1 3 3 ALA HA H . . . . 2 . HA rr_2l2y 1
58 1 . 1 . 1 1 2 2 ILE HB H . . . . 1 . HB rr_2l2y 1
58 1 . 2 . 1 1 3 3 ALA H H . . . . 2 . H rr_2l2y 1
59 1 . 1 . 1 1 2 2 ILE HG12 H . . . . 1 . HG12 rr_2l2y 1
59 1 . 2 . 1 1 3 3 ALA H H . . . . 2 . H rr_2l2y 1
60 1 . 1 . 1 1 2 2 ILE HG13 H . . . . 1 . HG13 rr_2l2y 1
60 1 . 2 . 1 1 3 3 ALA H H . . . . 2 . H rr_2l2y 1
61 1 . 1 . 1 1 2 2 ILE MG H . . . . 1 . HG2# rr_2l2y 1
61 1 . 2 . 1 1 3 3 ALA H H . . . . 2 . H rr_2l2y 1
62 1 . 1 . 1 1 3 3 ALA HA H . . . . 2 . HA rr_2l2y 1
62 1 . 2 . 1 1 4 4 DHA H H . . . . 3 . H rr_2l2y 1
63 1 . 1 . 1 1 3 3 ALA MB H . . . . 2 . HB# rr_2l2y 1
63 1 . 2 . 1 1 4 4 DHA H H . . . . 3 . H rr_2l2y 1
64 1 . 1 . 1 1 3 3 ALA MB H . . . . 2 . HB# rr_2l2y 1
64 1 . 2 . 1 1 4 4 DHA HB1 H . . . . 3 . HB1 rr_2l2y 1
65 1 . 1 . 1 1 3 3 ALA MB H . . . . 2 . HB# rr_2l2y 1
65 1 . 2 . 1 1 4 4 DHA HB2 H . . . . 3 . HB2 rr_2l2y 1
66 1 . 1 . 1 1 4 4 DHA H H . . . . 3 . H rr_2l2y 1
66 1 . 2 . 1 1 5 5 ALA H H . . . . 4 . H rr_2l2y 1
67 1 . 1 . 1 1 4 4 DHA H H . . . . 3 . H rr_2l2y 1
67 1 . 2 . 1 1 5 5 ALA MB H . . . . 4 . HB# rr_2l2y 1
68 1 . 1 . 1 1 4 4 DHA HB1 H . . . . 3 . HB1 rr_2l2y 1
68 1 . 2 . 1 1 5 5 ALA H H . . . . 4 . H rr_2l2y 1
69 1 . 1 . 1 1 4 4 DHA HB1 H . . . . 3 . HB1 rr_2l2y 1
69 1 . 2 . 1 1 5 5 ALA MB H . . . . 4 . HB# rr_2l2y 1
70 1 . 1 . 1 1 4 4 DHA HB2 H . . . . 3 . HB2 rr_2l2y 1
70 1 . 2 . 1 1 5 5 ALA H H . . . . 4 . H rr_2l2y 1
71 1 . 1 . 1 1 4 4 DHA HB2 H . . . . 3 . HB2 rr_2l2y 1
71 1 . 2 . 1 1 5 5 ALA MB H . . . . 4 . HB# rr_2l2y 1
72 1 . 1 . 1 1 5 5 ALA H H . . . . 4 . H rr_2l2y 1
72 1 . 2 . 1 1 6 6 SER H H . . . . 5 . H rr_2l2y 1
73 1 . 1 . 1 1 5 5 ALA HA H . . . . 4 . HA rr_2l2y 1
73 1 . 2 . 1 1 6 6 SER H H . . . . 5 . H rr_2l2y 1
74 1 . 1 . 1 1 5 5 ALA MB H . . . . 4 . HB# rr_2l2y 1
74 1 . 2 . 1 1 6 6 SER H H . . . . 5 . H rr_2l2y 1
75 1 . 1 . 1 1 5 5 ALA MB H . . . . 4 . HB# rr_2l2y 1
75 1 . 2 . 1 1 6 6 SER HB2 H . . . . 5 . HB2 rr_2l2y 1
76 1 . 1 . 1 1 6 6 SER HB2 H . . . . 5 . HB2 rr_2l2y 1
76 1 . 2 . 1 1 7 7 Bb9 HB H . . . . 6 . HB rr_2l2y 1
77 1 . 1 . 1 1 7 7 Bb9 HB H . . . . 6 . HB rr_2l2y 1
77 1 . 2 . 1 1 8 8 THR H H . . . . 7 . H rr_2l2y 1
78 1 . 1 . 1 1 7 7 Bb9 HB H . . . . 6 . HB rr_2l2y 1
78 1 . 2 . 1 1 8 8 THR HA H . . . . 7 . HA rr_2l2y 1
79 1 . 1 . 1 1 8 8 THR HA H . . . . 7 . HA rr_2l2y 1
79 1 . 2 . 1 1 9 9 DBU HG* H . . . . 8 . HG# rr_2l2y 1
80 1 . 1 . 1 1 10 10 CYS HA H . . . . 9 . HA rr_2l2y 1
80 1 . 2 . 1 1 11 11 Ts9 H H . . . . 10 . H rr_2l2y 1
81 1 . 1 . 1 1 10 10 CYS HB2 H . . . . 9 . HB2 rr_2l2y 1
81 1 . 2 . 1 1 11 11 Ts9 HA H . . . . 10 . HA rr_2l2y 1
82 1 . 1 . 1 1 11 11 Ts9 HA H . . . . 10 . HA rr_2l2y 1
82 1 . 2 . 1 1 12 12 Bb9 HB H . . . . 11 . HB rr_2l2y 1
83 1 . 1 . 1 1 12 12 Bb9 HB H . . . . 11 . HB rr_2l2y 1
83 1 . 2 . 1 1 13 13 THR HA H . . . . 12 . HA rr_2l2y 1
84 1 . 1 . 1 1 12 12 Bb9 HB H . . . . 11 . HB rr_2l2y 1
84 1 . 2 . 1 1 13 13 THR MG H . . . . 12 . HG2# rr_2l2y 1
85 1 . 1 . 1 1 16 16 Bb9 HB H . . . . 15 . HB rr_2l2y 1
85 1 . 2 . 1 1 17 17 DHA H H . . . . 16 . H rr_2l2y 1
86 1 . 1 . 1 1 16 16 Bb9 HB H . . . . 15 . HB rr_2l2y 1
86 1 . 2 . 1 1 17 17 DHA HB1 H . . . . 16 . HB1 rr_2l2y 1
87 1 . 1 . 1 1 17 17 DHA HB2 H . . . . 16 . HB2 rr_2l2y 1
87 1 . 2 . 1 1 18 18 NH2 HN1 H . . . . 17 . HN1 rr_2l2y 1
88 1 . 1 . 1 1 17 17 DHA HB2 H . . . . 16 . HB2 rr_2l2y 1
88 1 . 2 . 1 1 18 18 NH2 HN2 H . . . . 17 . HN2 rr_2l2y 1
89 1 . 1 . 1 1 1 1 QUA HC3 H . . . . 0 . HC3 rr_2l2y 1
89 1 . 2 . 1 1 13 13 THR MG H . . . . 12 . HG2# rr_2l2y 1
90 1 . 1 . 1 1 6 6 SER H H . . . . 5 . H rr_2l2y 1
90 1 . 2 . 1 1 14 14 Bb9 HB H . . . . 13 . HB rr_2l2y 1
91 1 . 1 . 1 1 6 6 SER HB2 H . . . . 5 . HB2 rr_2l2y 1
91 1 . 2 . 1 1 14 14 Bb9 HB H . . . . 13 . HB rr_2l2y 1
92 1 . 1 . 1 1 6 6 SER HB3 H . . . . 5 . HB3 rr_2l2y 1
92 1 . 2 . 1 1 14 14 Bb9 HB H . . . . 13 . HB rr_2l2y 1
93 1 . 1 . 1 1 6 6 SER H H . . . . 5 . H rr_2l2y 1
93 1 . 2 . 1 1 15 15 Mh6 HB2 H . . . . 14 . HB2 rr_2l2y 1
94 1 . 1 . 1 1 6 6 SER HB2 H . . . . 5 . HB2 rr_2l2y 1
94 1 . 2 . 1 1 15 15 Mh6 HB2 H . . . . 14 . HB2 rr_2l2y 1
95 1 . 1 . 1 1 6 6 SER HB2 H . . . . 5 . HB2 rr_2l2y 1
95 1 . 2 . 1 1 15 15 Mh6 HB3 H . . . . 14 . HB3 rr_2l2y 1
96 1 . 1 . 1 1 6 6 SER HB3 H . . . . 5 . HB3 rr_2l2y 1
96 1 . 2 . 1 1 15 15 Mh6 HB2 H . . . . 14 . HB2 rr_2l2y 1
97 1 . 1 . 1 1 6 6 SER HB3 H . . . . 5 . HB3 rr_2l2y 1
97 1 . 2 . 1 1 15 15 Mh6 HB3 H . . . . 14 . HB3 rr_2l2y 1
98 1 . 1 . 1 1 1 1 QUA HC3 H . . . . 0 . HC3 rr_2l2y 1
98 1 . 2 . 1 1 4 4 DHA HB1 H . . . . 3 . HB1 rr_2l2y 1
99 1 . 1 . 1 1 1 1 QUA HC3 H . . . . 0 . HC3 rr_2l2y 1
99 1 . 2 . 1 1 7 7 Bb9 HB H . . . . 6 . HB rr_2l2y 1
100 1 . 1 . 1 1 1 1 QUA HC3 H . . . . 0 . HC3 rr_2l2y 1
100 1 . 2 . 1 1 8 8 THR HA H . . . . 7 . HA rr_2l2y 1
101 1 . 1 . 1 1 1 1 QUA HC3 H . . . . 0 . HC3 rr_2l2y 1
101 1 . 2 . 1 1 8 8 THR HB H . . . . 7 . HB rr_2l2y 1
102 1 . 1 . 1 1 1 1 QUA HC3 H . . . . 0 . HC3 rr_2l2y 1
102 1 . 2 . 1 1 8 8 THR MG H . . . . 7 . HG2# rr_2l2y 1
103 1 . 1 . 1 1 1 1 QUA HC8 H . . . . 0 . HC8 rr_2l2y 1
103 1 . 2 . 1 1 3 3 ALA H H . . . . 2 . H rr_2l2y 1
104 1 . 1 . 1 1 1 1 QUA H13 H . . . . 0 . H13 rr_2l2y 1
104 1 . 2 . 1 1 7 7 Bb9 HB H . . . . 6 . HB rr_2l2y 1
105 1 . 1 . 1 1 1 1 QUA M14 H . . . . 0 . H14# rr_2l2y 1
105 1 . 2 . 1 1 4 4 DHA HB1 H . . . . 3 . HB1 rr_2l2y 1
106 1 . 1 . 1 1 1 1 QUA M14 H . . . . 0 . H14# rr_2l2y 1
106 1 . 2 . 1 1 4 4 DHA HB2 H . . . . 3 . HB2 rr_2l2y 1
107 1 . 1 . 1 1 1 1 QUA M14 H . . . . 0 . H14# rr_2l2y 1
107 1 . 2 . 1 1 7 7 Bb9 HB H . . . . 6 . HB rr_2l2y 1
108 1 . 1 . 1 1 3 3 ALA H H . . . . 2 . H rr_2l2y 1
108 1 . 2 . 1 1 13 13 THR MG H . . . . 12 . HG2# rr_2l2y 1
109 1 . 1 . 1 1 3 3 ALA HA H . . . . 2 . HA rr_2l2y 1
109 1 . 2 . 1 1 13 13 THR MG H . . . . 12 . HG2# rr_2l2y 1
110 1 . 1 . 1 1 4 4 DHA H H . . . . 3 . H rr_2l2y 1
110 1 . 2 . 1 1 8 8 THR H H . . . . 7 . H rr_2l2y 1
111 1 . 1 . 1 1 4 4 DHA H H . . . . 3 . H rr_2l2y 1
111 1 . 2 . 1 1 13 13 THR HB H . . . . 12 . HB rr_2l2y 1
112 1 . 1 . 1 1 4 4 DHA H H . . . . 3 . H rr_2l2y 1
112 1 . 2 . 1 1 13 13 THR MG H . . . . 12 . HG2# rr_2l2y 1
113 1 . 1 . 1 1 5 5 ALA HA H . . . . 4 . HA rr_2l2y 1
113 1 . 2 . 1 1 8 8 THR H H . . . . 7 . H rr_2l2y 1
114 1 . 1 . 1 1 5 5 ALA HA H . . . . 4 . HA rr_2l2y 1
114 1 . 2 . 1 1 13 13 THR HA H . . . . 12 . HA rr_2l2y 1
115 1 . 1 . 1 1 5 5 ALA HA H . . . . 4 . HA rr_2l2y 1
115 1 . 2 . 1 1 13 13 THR HB H . . . . 12 . HB rr_2l2y 1
116 1 . 1 . 1 1 5 5 ALA HA H . . . . 4 . HA rr_2l2y 1
116 1 . 2 . 1 1 13 13 THR MG H . . . . 12 . HG2# rr_2l2y 1
117 1 . 1 . 1 1 5 5 ALA MB H . . . . 4 . HB# rr_2l2y 1
117 1 . 2 . 1 1 13 13 THR HA H . . . . 12 . HA rr_2l2y 1
118 1 . 1 . 1 1 5 5 ALA MB H . . . . 4 . HB# rr_2l2y 1
118 1 . 2 . 1 1 13 13 THR HB H . . . . 12 . HB rr_2l2y 1
119 1 . 1 . 1 1 5 5 ALA MB H . . . . 4 . HB# rr_2l2y 1
119 1 . 2 . 1 1 15 15 Mh6 HB2 H . . . . 14 . HB2 rr_2l2y 1
120 1 . 1 . 1 1 6 6 SER H H . . . . 5 . H rr_2l2y 1
120 1 . 2 . 1 1 8 8 THR H H . . . . 7 . H rr_2l2y 1
121 1 . 1 . 1 1 6 6 SER H H . . . . 5 . H rr_2l2y 1
121 1 . 2 . 1 1 13 13 THR HA H . . . . 12 . HA rr_2l2y 1
122 1 . 1 . 1 1 6 6 SER H H . . . . 5 . H rr_2l2y 1
122 1 . 2 . 1 1 13 13 THR HB H . . . . 12 . HB rr_2l2y 1
123 1 . 1 . 1 1 6 6 SER H H . . . . 5 . H rr_2l2y 1
123 1 . 2 . 1 1 13 13 THR MG H . . . . 12 . HG2# rr_2l2y 1
124 1 . 1 . 1 1 7 7 Bb9 HB H . . . . 6 . HB rr_2l2y 1
124 1 . 2 . 1 1 9 9 DBU HG* H . . . . 8 . HG# rr_2l2y 1
125 1 . 1 . 1 1 8 8 THR H H . . . . 7 . H rr_2l2y 1
125 1 . 2 . 1 1 14 14 Bb9 HB H . . . . 13 . HB rr_2l2y 1
126 1 . 1 . 1 1 8 8 THR HA H . . . . 7 . HA rr_2l2y 1
126 1 . 2 . 1 1 14 14 Bb9 HB H . . . . 13 . HB rr_2l2y 1
127 1 . 1 . 1 1 8 8 THR MG H . . . . 7 . HG2# rr_2l2y 1
127 1 . 2 . 1 1 10 10 CYS HA H . . . . 9 . HA rr_2l2y 1
128 1 . 1 . 1 1 8 8 THR MG H . . . . 7 . HG2# rr_2l2y 1
128 1 . 2 . 1 1 11 11 Ts9 H H . . . . 10 . H rr_2l2y 1
129 1 . 1 . 1 1 8 8 THR MG H . . . . 7 . HG2# rr_2l2y 1
129 1 . 2 . 1 1 13 13 THR H H . . . . 12 . H rr_2l2y 1
130 1 . 1 . 1 1 8 8 THR MG H . . . . 7 . HG2# rr_2l2y 1
130 1 . 2 . 1 1 13 13 THR HA H . . . . 12 . HA rr_2l2y 1
131 1 . 1 . 1 1 8 8 THR MG H . . . . 7 . HG2# rr_2l2y 1
131 1 . 2 . 1 1 14 14 Bb9 HB H . . . . 13 . HB rr_2l2y 1
132 1 . 1 . 1 1 15 15 Mh6 HB2 H . . . . 14 . HB2 rr_2l2y 1
132 1 . 2 . 1 1 17 17 DHA H H . . . . 16 . H rr_2l2y 1
133 1 . 1 . 1 1 15 15 Mh6 HB3 H . . . . 14 . HB3 rr_2l2y 1
133 1 . 2 . 1 1 17 17 DHA H H . . . . 16 . H rr_2l2y 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 . . . . . . 3.61 1.66 5.56 rr_2l2y 1
2 1 . . . . . . 3.01 1.88 4.14 rr_2l2y 1
3 1 . . . . . . 4.35 1.51 6.50 rr_2l2y 1
4 1 . . . . . . 2.05 1.52 2.58 rr_2l2y 1
5 1 . . . . . . 2.66 1.77 3.55 rr_2l2y 1
6 1 . . . . . . 1.84 1.42 2.26 rr_2l2y 1
7 1 . . . . . . 4.05 2.00 6.10 rr_2l2y 1
8 1 . . . . . . 2.66 1.77 3.55 rr_2l2y 1
9 1 . . . . . . 4.50 1.46 6.50 rr_2l2y 1
10 1 . . . . . . 2.44 1.69 3.19 rr_2l2y 1
11 1 . . . . . . 2.49 1.71 3.27 rr_2l2y 1
12 1 . . . . . . 4.43 1.49 6.50 rr_2l2y 1
13 1 . . . . . . 2.49 1.71 3.27 rr_2l2y 1
14 1 . . . . . . 4.18 1.12 6.50 rr_2l2y 1
15 1 . . . . . . 2.84 1.83 3.85 rr_2l2y 1
16 1 . . . . . . 2.78 1.81 3.75 rr_2l2y 1
17 1 . . . . . . 2.20 1.59 2.81 rr_2l2y 1
18 1 . . . . . . 2.79 1.82 3.76 rr_2l2y 1
19 1 . . . . . . 2.63 1.59 3.67 rr_2l2y 1
20 1 . . . . . . 2.45 1.70 3.20 rr_2l2y 1
21 1 . . . . . . 3.38 1.66 5.10 rr_2l2y 1
22 1 . . . . . . 3.77 1.64 5.90 rr_2l2y 1
23 1 . . . . . . 1.67 1.32 2.20 rr_2l2y 1
24 1 . . . . . . 2.70 1.79 3.61 rr_2l2y 1
25 1 . . . . . . 2.49 1.71 3.27 rr_2l2y 1
26 1 . . . . . . 2.37 1.67 3.07 rr_2l2y 1
27 1 . . . . . . 3.59 1.66 5.52 rr_2l2y 1
28 1 . . . . . . 3.95 1.22 6.50 rr_2l2y 1
29 1 . . . . . . 1.93 1.46 2.40 rr_2l2y 1
30 1 . . . . . . 2.57 1.74 3.40 rr_2l2y 1
31 1 . . . . . . 2.66 1.78 3.54 rr_2l2y 1
32 1 . . . . . . 2.95 1.86 4.04 rr_2l2y 1
33 1 . . . . . . 4.15 1.57 6.50 rr_2l2y 1
34 1 . . . . . . 2.76 1.81 3.71 rr_2l2y 1
35 1 . . . . . . 2.56 1.74 3.38 rr_2l2y 1
36 1 . . . . . . 2.61 1.76 3.46 rr_2l2y 1
37 1 . . . . . . 3.22 1.92 4.52 rr_2l2y 1
38 1 . . . . . . 2.28 1.63 2.93 rr_2l2y 1
39 1 . . . . . . 3.89 1.62 6.16 rr_2l2y 1
40 1 . . . . . . 2.82 1.83 3.81 rr_2l2y 1
41 1 . . . . . . 2.60 1.76 3.44 rr_2l2y 1
42 1 . . . . . . 2.43 1.69 3.17 rr_2l2y 1
43 1 . . . . . . 2.13 1.56 2.70 rr_2l2y 1
44 1 . . . . . . 2.28 1.63 2.93 rr_2l2y 1
45 1 . . . . . . 3.21 1.67 4.75 rr_2l2y 1
46 1 . . . . . . 3.58 1.66 5.50 rr_2l2y 1
47 1 . . . . . . 1.81 1.40 2.22 rr_2l2y 1
48 1 . . . . . . 1.63 1.30 2.20 rr_2l2y 1
49 1 . . . . . . 4.74 1.38 6.50 rr_2l2y 1
50 1 . . . . . . 3.67 1.31 6.03 rr_2l2y 1
51 1 . . . . . . 2.34 1.66 3.02 rr_2l2y 1
52 1 . . . . . . 2.23 1.61 2.85 rr_2l2y 1
53 1 . . . . . . 5.21 1.14 6.50 rr_2l2y 1
54 1 . . . . . . 5.24 0.44 6.50 rr_2l2y 1
55 1 . . . . . . 2.13 1.34 2.92 rr_2l2y 1
56 1 . . . . . . 3.31 1.67 4.95 rr_2l2y 1
57 1 . . . . . . 4.10 1.16 6.50 rr_2l2y 1
58 1 . . . . . . 3.58 1.66 5.50 rr_2l2y 1
59 1 . . . . . . 3.18 1.66 4.70 rr_2l2y 1
60 1 . . . . . . 3.97 1.61 6.33 rr_2l2y 1
61 1 . . . . . . 3.98 1.60 6.36 rr_2l2y 1
62 1 . . . . . . 2.06 1.53 2.59 rr_2l2y 1
63 1 . . . . . . 2.74 1.80 3.68 rr_2l2y 1
64 1 . . . . . . 3.81 1.27 6.35 rr_2l2y 1
65 1 . . . . . . 4.07 1.17 6.50 rr_2l2y 1
66 1 . . . . . . 3.27 1.67 4.87 rr_2l2y 1
67 1 . . . . . . 3.23 1.66 4.80 rr_2l2y 1
68 1 . . . . . . 3.48 1.97 4.99 rr_2l2y 1
69 1 . . . . . . 3.36 1.66 5.06 rr_2l2y 1
70 1 . . . . . . 1.81 1.40 2.22 rr_2l2y 1
71 1 . . . . . . 4.01 1.60 6.42 rr_2l2y 1
72 1 . . . . . . 3.57 1.66 5.48 rr_2l2y 1
73 1 . . . . . . 2.16 1.58 2.74 rr_2l2y 1
74 1 . . . . . . 3.49 1.67 5.31 rr_2l2y 1
75 1 . . . . . . 3.68 1.31 6.05 rr_2l2y 1
76 1 . . . . . . 3.73 1.64 5.82 rr_2l2y 1
77 1 . . . . . . 3.92 1.61 6.23 rr_2l2y 1
78 1 . . . . . . 4.74 0.81 6.50 rr_2l2y 1
79 1 . . . . . . 2.64 1.77 3.51 rr_2l2y 1
80 1 . . . . . . 3.28 1.67 4.89 rr_2l2y 1
81 1 . . . . . . 4.31 1.05 6.50 rr_2l2y 1
82 1 . . . . . . 4.74 0.81 6.50 rr_2l2y 1
83 1 . . . . . . 4.32 1.05 6.50 rr_2l2y 1
84 1 . . . . . . 3.30 1.40 5.20 rr_2l2y 1
85 1 . . . . . . 3.97 1.21 6.50 rr_2l2y 1
86 1 . . . . . . 4.35 1.51 6.50 rr_2l2y 1
87 1 . . . . . . 3.29 1.94 4.64 rr_2l2y 1
88 1 . . . . . . 2.22 1.48 2.96 rr_2l2y 1
89 1 . . . . . . 3.98 1.20 6.50 rr_2l2y 1
90 1 . . . . . . 4.33 1.05 6.50 rr_2l2y 1
91 1 . . . . . . 5.51 0.20 6.50 rr_2l2y 1
92 1 . . . . . . 4.42 1.49 6.50 rr_2l2y 1
93 1 . . . . . . 3.20 1.67 4.73 rr_2l2y 1
94 1 . . . . . . 2.94 1.86 4.02 rr_2l2y 1
95 1 . . . . . . 3.23 1.67 4.79 rr_2l2y 1
96 1 . . . . . . 2.64 1.77 3.51 rr_2l2y 1
97 1 . . . . . . 2.79 1.82 3.76 rr_2l2y 1
98 1 . . . . . . 3.46 1.66 5.26 rr_2l2y 1
99 1 . . . . . . 3.22 1.93 4.51 rr_2l2y 1
100 1 . . . . . . 4.44 1.48 6.50 rr_2l2y 1
101 1 . . . . . . 4.11 1.15 6.50 rr_2l2y 1
102 1 . . . . . . 3.89 1.25 6.50 rr_2l2y 1
103 1 . . . . . . 3.54 1.66 5.42 rr_2l2y 1
104 1 . . . . . . 4.34 1.51 6.50 rr_2l2y 1
105 1 . . . . . . 2.55 1.73 3.37 rr_2l2y 1
106 1 . . . . . . 3.14 1.90 4.38 rr_2l2y 1
107 1 . . . . . . 4.37 1.51 6.50 rr_2l2y 1
108 1 . . . . . . 4.07 1.17 6.50 rr_2l2y 1
109 1 . . . . . . 3.04 1.88 4.20 rr_2l2y 1
110 1 . . . . . . 3.76 1.29 6.23 rr_2l2y 1
111 1 . . . . . . 3.50 1.66 5.34 rr_2l2y 1
112 1 . . . . . . 2.48 1.71 3.25 rr_2l2y 1
113 1 . . . . . . 4.11 1.57 6.50 rr_2l2y 1
114 1 . . . . . . 4.94 0.67 6.50 rr_2l2y 1
115 1 . . . . . . 2.68 1.78 3.58 rr_2l2y 1
116 1 . . . . . . 3.51 1.67 5.35 rr_2l2y 1
117 1 . . . . . . 4.86 0.72 6.50 rr_2l2y 1
118 1 . . . . . . 4.56 1.44 6.50 rr_2l2y 1
119 1 . . . . . . 3.66 1.65 5.67 rr_2l2y 1
120 1 . . . . . . 3.64 1.32 5.96 rr_2l2y 1
121 1 . . . . . . 3.88 1.63 6.13 rr_2l2y 1
122 1 . . . . . . 2.58 1.75 3.41 rr_2l2y 1
123 1 . . . . . . 4.04 1.60 6.48 rr_2l2y 1
124 1 . . . . . . 3.56 1.34 5.78 rr_2l2y 1
125 1 . . . . . . 2.49 1.71 3.27 rr_2l2y 1
126 1 . . . . . . 4.88 1.31 6.50 rr_2l2y 1
127 1 . . . . . . 4.56 0.93 6.50 rr_2l2y 1
128 1 . . . . . . 2.67 1.78 3.56 rr_2l2y 1
129 1 . . . . . . 2.97 1.87 4.07 rr_2l2y 1
130 1 . . . . . . 4.67 1.40 6.50 rr_2l2y 1
131 1 . . . . . . 3.48 1.67 5.29 rr_2l2y 1
132 1 . . . . . . 3.97 1.60 6.34 rr_2l2y 1
133 1 . . . . . . 3.75 1.64 5.86 rr_2l2y 1
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1 "# Intraresidue NOEs" 1 1 1 19 rr_2l2y 1
2 "# Sequential NOEs" 62 1 62 17 rr_2l2y 1
3 "# Medium and long range NOEs" 125 1 125 28 rr_2l2y 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 33 1 "Not handling restraint 33, item 1, resonance(s) ' .8.H1' (nmrStar names) not linked" rr_2l2y 1
2 2 34 1 "Not handling restraint 34, item 1, resonance(s) ' .8.HB1' (nmrStar names) not linked" rr_2l2y 1
3 2 39 1 "Not handling restraint 39, item 1, resonance(s) ' .10.HG2#' (nmrStar names) not linked" rr_2l2y 1
4 2 40 1 "Not handling restraint 40, item 1, resonance(s) ' .10.HD1#' (nmrStar names) not linked" rr_2l2y 1
5 2 42 1 "Not handling restraint 42, item 1, resonance(s) ' .10.HG2#' (nmrStar names) not linked" rr_2l2y 1
6 2 43 1 "Not handling restraint 43, item 1, resonance(s) ' .10.HD1#' (nmrStar names) not linked" rr_2l2y 1
7 2 44 1 "Not handling restraint 44, item 1, resonance(s) ' .10.HG2#' (nmrStar names) not linked" rr_2l2y 1
8 2 45 1 "Not handling restraint 45, item 1, resonance(s) ' .10.HD1#' (nmrStar names) not linked" rr_2l2y 1
9 2 52 1 "Not handling restraint 52, item 1, resonance(s) ' .13.HC' (nmrStar names) not linked" rr_2l2y 1
10 2 88 1 "Not handling restraint 88, item 1, resonance(s) ' .8.H1' (nmrStar names) not linked" rr_2l2y 1
11 2 89 1 "Not handling restraint 89, item 1, resonance(s) ' .8.H1' (nmrStar names) not linked" rr_2l2y 1
12 2 91 1 "Not handling restraint 91, item 1, resonance(s) ' .8.H1' (nmrStar names) not linked" rr_2l2y 1
13 2 92 1 "Not handling restraint 92, item 1, resonance(s) ' .8.H1' (nmrStar names) not linked" rr_2l2y 1
14 2 96 1 "Not handling restraint 96, item 1, resonance(s) ' .10.HG2#' (nmrStar names) not linked" rr_2l2y 1
15 2 99 1 "Not handling restraint 99, item 1, resonance(s) ' .13.HC' (nmrStar names) not linked" rr_2l2y 1
16 2 100 1 "Not handling restraint 100, item 1, resonance(s) ' .13.HC' (nmrStar names) not linked" rr_2l2y 1
17 2 107 1 "Not handling restraint 107, item 1, resonance(s) ' .13.HC' (nmrStar names) not linked" rr_2l2y 1
18 2 109 1 "Not handling restraint 109, item 1, resonance(s) ' .13.HC' (nmrStar names) not linked" rr_2l2y 1
19 2 111 1 "Not handling restraint 111, item 1, resonance(s) ' .13.HC' (nmrStar names) not linked" rr_2l2y 1
20 2 123 1 "Not handling restraint 123, item 1, resonance(s) ' .10.HD1#' (nmrStar names) not linked" rr_2l2y 1
21 2 124 1 "Not handling restraint 124, item 1, resonance(s) ' .10.HG2#' (nmrStar names) not linked" rr_2l2y 1
22 2 129 1 "Not handling restraint 129, item 1, resonance(s) ' .10.HD1#' (nmrStar names) not linked" rr_2l2y 1
23 2 130 1 "Not handling restraint 130, item 1, resonance(s) ' .10.HG2#' (nmrStar names) not linked" rr_2l2y 1
24 2 149 1 "Not handling restraint 149, item 1, resonance(s) ' .13.HC' (nmrStar names) not linked" rr_2l2y 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_3_1
_Distance_constraint_list.Entry_ID rr_2l2y
_Distance_constraint_list.ID 2
_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 3
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_2l2y 2
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 2 . OR rr_2l2y 2
1 2 . 3 . rr_2l2y 2
1 3 . 4 . rr_2l2y 2
1 4 . . . rr_2l2y 2
2 1 2 . OR rr_2l2y 2
2 2 . 3 . rr_2l2y 2
2 3 . . . rr_2l2y 2
3 1 2 . OR rr_2l2y 2
3 2 . 3 . rr_2l2y 2
3 3 . . . rr_2l2y 2
4 1 2 . OR rr_2l2y 2
4 2 . 3 . rr_2l2y 2
4 3 . . . rr_2l2y 2
5 1 2 . OR rr_2l2y 2
5 2 . 3 . rr_2l2y 2
5 3 . . . rr_2l2y 2
6 1 2 . OR rr_2l2y 2
6 2 . 3 . rr_2l2y 2
6 3 . . . rr_2l2y 2
7 1 2 . OR rr_2l2y 2
7 2 . 3 . rr_2l2y 2
7 3 . . . rr_2l2y 2
8 1 2 . OR rr_2l2y 2
8 2 . 3 . rr_2l2y 2
8 3 . . . rr_2l2y 2
9 1 2 . OR rr_2l2y 2
9 2 . 3 . rr_2l2y 2
9 3 . . . rr_2l2y 2
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 2 . 1 . 1 1 2 2 ILE HG13 H . . . . 1 . HG13 rr_2l2y 2
1 2 . 2 . 1 1 1 1 QUA HC8 H . . . . 0 . HC8 rr_2l2y 2
1 3 . 1 . 1 1 1 1 QUA M14 H . . . . 0 . H14# rr_2l2y 2
1 3 . 2 . 1 1 8 8 THR HA H . . . . 7 . HA rr_2l2y 2
1 4 . 1 . 1 1 1 1 QUA M14 H . . . . 0 . H14# rr_2l2y 2
1 4 . 2 . 1 1 1 1 QUA HC8 H . . . . 0 . HC8 rr_2l2y 2
2 2 . 1 . 1 1 2 2 ILE HG13 H . . . . 1 . HG13 rr_2l2y 2
2 2 . 2 . 1 1 1 1 QUA HC6 H . . . . 0 . HC6 rr_2l2y 2
2 3 . 1 . 1 1 1 1 QUA M14 H . . . . 0 . H14# rr_2l2y 2
2 3 . 2 . 1 1 1 1 QUA HC6 H . . . . 0 . HC6 rr_2l2y 2
3 2 . 1 . 1 1 3 3 ALA H H . . . . 2 . H rr_2l2y 2
3 2 . 2 . 1 1 1 1 QUA M14 H . . . . 0 . H14# rr_2l2y 2
3 3 . 1 . 1 1 3 3 ALA H H . . . . 2 . H rr_2l2y 2
3 3 . 2 . 1 1 2 2 ILE HG13 H . . . . 1 . HG13 rr_2l2y 2
4 2 . 1 . 1 1 4 4 DHA HB2 H . . . . 3 . HB2 rr_2l2y 2
4 2 . 2 . 1 1 1 1 QUA HC3 H . . . . 0 . HC3 rr_2l2y 2
4 3 . 1 . 1 1 1 1 QUA H13 H . . . . 0 . H13 rr_2l2y 2
4 3 . 2 . 1 1 1 1 QUA HC3 H . . . . 0 . HC3 rr_2l2y 2
5 2 . 1 . 1 1 8 8 THR HA H . . . . 7 . HA rr_2l2y 2
5 2 . 2 . 1 1 1 1 QUA HC6 H . . . . 0 . HC6 rr_2l2y 2
5 3 . 1 . 1 1 1 1 QUA HC8 H . . . . 0 . HC8 rr_2l2y 2
5 3 . 2 . 1 1 1 1 QUA HC6 H . . . . 0 . HC6 rr_2l2y 2
6 2 . 1 . 1 1 8 8 THR MG H . . . . 7 . HG2# rr_2l2y 2
6 2 . 2 . 1 1 1 1 QUA HC8 H . . . . 0 . HC8 rr_2l2y 2
6 3 . 1 . 1 1 8 8 THR MG H . . . . 7 . HG2# rr_2l2y 2
6 3 . 2 . 1 1 8 8 THR HA H . . . . 7 . HA rr_2l2y 2
7 2 . 1 . 1 1 9 9 DBU HG* H . . . . 8 . HG# rr_2l2y 2
7 2 . 2 . 1 1 1 1 QUA HC3 H . . . . 0 . HC3 rr_2l2y 2
7 3 . 1 . 1 1 13 13 THR MG H . . . . 12 . HG2# rr_2l2y 2
7 3 . 2 . 1 1 1 1 QUA HC3 H . . . . 0 . HC3 rr_2l2y 2
8 2 . 1 . 1 1 13 13 THR MG H . . . . 12 . HG2# rr_2l2y 2
8 2 . 2 . 1 1 8 8 THR H H . . . . 7 . H rr_2l2y 2
8 3 . 1 . 1 1 9 9 DBU HG* H . . . . 8 . HG# rr_2l2y 2
8 3 . 2 . 1 1 8 8 THR H H . . . . 7 . H rr_2l2y 2
9 2 . 1 . 1 1 13 13 THR MG H . . . . 12 . HG2# rr_2l2y 2
9 2 . 2 . 1 1 14 14 Bb9 HB H . . . . 13 . HB rr_2l2y 2
9 3 . 1 . 1 1 9 9 DBU HG* H . . . . 8 . HG# rr_2l2y 2
9 3 . 2 . 1 1 14 14 Bb9 HB H . . . . 13 . HB rr_2l2y 2
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 2 . . . . . . 4.29 1.53 6.50 rr_2l2y 2
1 3 . . . . . . 4.29 1.53 6.50 rr_2l2y 2
1 4 . . . . . . 4.29 1.53 6.50 rr_2l2y 2
2 2 . . . . . . 4.19 1.55 6.50 rr_2l2y 2
2 3 . . . . . . 4.19 1.55 6.50 rr_2l2y 2
3 2 . . . . . . 3.76 1.63 5.89 rr_2l2y 2
3 3 . . . . . . 3.76 1.63 5.89 rr_2l2y 2
4 2 . . . . . . 3.15 1.66 4.64 rr_2l2y 2
4 3 . . . . . . 3.15 1.66 4.64 rr_2l2y 2
5 2 . . . . . . 4.92 0.69 6.50 rr_2l2y 2
5 3 . . . . . . 4.92 0.69 6.50 rr_2l2y 2
6 2 . . . . . . 3.48 1.66 5.30 rr_2l2y 2
6 3 . . . . . . 3.48 1.66 5.30 rr_2l2y 2
7 2 . . . . . . 3.43 1.67 5.19 rr_2l2y 2
7 3 . . . . . . 3.43 1.67 5.19 rr_2l2y 2
8 2 . . . . . . 2.94 1.64 4.24 rr_2l2y 2
8 3 . . . . . . 2.94 1.64 4.24 rr_2l2y 2
9 2 . . . . . . 3.68 1.65 5.71 rr_2l2y 2
9 3 . . . . . . 3.68 1.65 5.71 rr_2l2y 2
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1 "# Ambiguous NOEs" 1 1 1 16 rr_2l2y 2
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 3 7 1 "Not handling restraint 7, item 3, resonance(s) ' .8.HB1' (nmrStar names) not linked" rr_2l2y 2
2 3 8 1 "Not handling restraint 8, item 4, resonance(s) ' .13.HC' (nmrStar names) not linked" rr_2l2y 2
3 3 8 1 "Not handling restraint 8, item 5, resonance(s) ' .13.HC' (nmrStar names) not linked" rr_2l2y 2
4 3 10 1 "Not handling restraint 10, item 3, resonance(s) ' .8.HB1' (nmrStar names) not linked" rr_2l2y 2
5 3 11 1 "Not handling restraint 11, item 3, resonance(s) ' .10.HG2#' (nmrStar names) not linked" rr_2l2y 2
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_2l2y
_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 ANTIBIOTIC 27-AUG-10 2L2Y *TITLE THIOSTREPTON, EPIMER FORM OF RESIDUE 9 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: THIOSTREPTON; *COMPND 3 CHAIN: A; *COMPND 4 FRAGMENT: RESIDUES 1-16; *COMPND 5 SYNONYM: ALANINAMIDE, BRYAMYCIN, GARGON, THIACTIN; *COMPND 6 MUTATION: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES AZUREUS; *SOURCE 3 ORGANISM_TAXID: 146537 *KEYWDS NATURAL ANTIBIOTIC, THIOPEPTIDE, ANTIBIOTIC, ANTIMICROBIAL, *KEYWDS 2 ANTIBACTERIAL, THIAZOLE, THIAZOLINE *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR H.R.A.JONKER, S.BAUMANN, A.WOLF, S.SCHOOF, F.HILLER, K.W.SCHULTE, *AUTHOR 2 K.N.KIRSCHNER, H.SCHWALBE, H.-D.ARNDT *REVDAT 1 02-FEB-11 2L2Y 0"
save_
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