NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
532062 |
2l2x   |
17154 | cing | 3-converted-DOCR | STAR | entry | full | 138 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_2l2x
# This DOCR archive file contains, for PDB entry <2l2x>:
#
# - 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_2l2x
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 2l2x"
_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 2l2x"
_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 2l2x "Master copy" rr_2l2x
stop_
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_2l2x
_Assembly.ID 1
_Assembly.Name 2l2x
_Assembly.Number_of_components 1
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 0
_Assembly.Non_standard_bonds no
_Assembly.Paramagnetic no
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 1709.8288
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_2l2x 1
stop_
save_
save_Thiostrepton
_Entity.Sf_category entity
_Entity.Sf_framecode Thiostrepton
_Entity.Entry_ID rr_2l2x
_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 "not present"
_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_2l2x 1
2 . ILE . rr_2l2x 1
3 . ALA . rr_2l2x 1
4 . DHA . rr_2l2x 1
5 . ALA . rr_2l2x 1
6 . SER . rr_2l2x 1
7 . . . rr_2l2x 1
8 . THR . rr_2l2x 1
9 . DBU . rr_2l2x 1
10 . . . rr_2l2x 1
11 . . . rr_2l2x 1
12 . . . rr_2l2x 1
13 . THR . rr_2l2x 1
14 . . . rr_2l2x 1
15 . . . rr_2l2x 1
16 . . . rr_2l2x 1
17 . DHA . rr_2l2x 1
18 . NH2 . rr_2l2x 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_2l2x
_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_2l2x
_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_2l2x 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_2l2x
_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_2l2x
_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_2l2x
_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_2l2x
_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_2l2x
_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_2l2x
_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_2l2x
_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_2l2x 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_2l2x 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 -3.084 -2.420 -2.321 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2x 1
. 1 . 2 . 1 1 1 QUA C11 C 0.170 -1.181 0.097 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2x 1
. 1 . 3 . 1 1 1 QUA C13 C -1.520 -2.830 -4.302 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2x 1
. 1 . 4 . 1 1 1 QUA C14 C -1.423 -4.346 -4.393 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2x 1
. 1 . 5 . 1 1 1 QUA C2 C -0.993 -1.612 -0.739 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2x 1
. 1 . 6 . 1 1 1 QUA C3 C -0.729 -1.994 -2.048 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2x 1
. 1 . 7 . 1 1 1 QUA C4 C -1.787 -2.406 -2.858 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2x 1
. 1 . 8 . 1 1 1 QUA C5 C -4.260 -2.843 -3.097 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2x 1
. 1 . 9 . 1 1 1 QUA C6 C -5.384 -3.148 -2.521 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2x 1
. 1 . 10 . 1 1 1 QUA C7 C -5.564 -3.091 -0.999 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2x 1
. 1 . 11 . 1 1 1 QUA C8 C -4.636 -2.016 -0.370 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2x 1
. 1 . 12 . 1 1 1 QUA C9 C -3.250 -2.021 -1.004 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2x 1
. 1 . 13 . 1 1 1 QUA H13 H -2.332 -2.504 -4.931 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2x 1
. 1 . 14 . 1 1 1 QUA H141 H -2.333 -4.788 -4.014 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2x 1
. 1 . 15 . 1 1 1 QUA H142 H -0.585 -4.689 -3.804 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2x 1
. 1 . 16 . 1 1 1 QUA H143 H -1.283 -4.637 -5.422 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2x 1
. 1 . 17 . 1 1 1 QUA H15 H 0.437 -2.564 -4.265 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2x 1
. 1 . 18 . 1 1 1 QUA H16 H -5.126 -0.423 -1.424 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2x 1
. 1 . 19 . 1 1 1 QUA HC3 H 0.281 -1.972 -2.433 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2x 1
. 1 . 20 . 1 1 1 QUA HC5 H -4.191 -2.902 -4.171 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2x 1
. 1 . 21 . 1 1 1 QUA HC6 H -6.219 -3.452 -3.135 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2x 1
. 1 . 22 . 1 1 1 QUA HC71 H -6.587 -2.845 -0.764 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2x 1
. 1 . 23 . 1 1 1 QUA HC8 H -4.545 -2.224 0.686 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2x 1
. 1 . 24 . 1 1 1 QUA N1 N -2.237 -1.616 -0.192 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2x 1
. 1 . 25 . 1 1 1 QUA O12 O 1.321 -1.117 -0.331 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2x 1
. 1 . 26 . 1 1 1 QUA O15 O -0.303 -2.251 -4.792 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2x 1
. 1 . 27 . 1 1 1 QUA O16 O -5.242 -0.728 -0.520 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2x 1
. 1 . 28 . 1 1 2 ILE C C -4.453 -5.061 1.797 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2x 1
. 1 . 29 . 1 1 2 ILE CA C -5.653 -4.639 0.955 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2x 1
. 1 . 30 . 1 1 2 ILE CB C -6.777 -5.684 1.110 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2x 1
. 1 . 31 . 1 1 2 ILE CD1 C -7.377 -8.114 0.605 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2x 1
. 1 . 32 . 1 1 2 ILE CG1 C -6.439 -6.958 0.326 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2x 1
. 1 . 33 . 1 1 2 ILE CG2 C -8.103 -5.100 0.645 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2x 1
. 1 . 34 . 1 1 2 ILE H H -4.314 -4.648 -0.583 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2x 1
. 1 . 35 . 1 1 2 ILE HA H -6.020 -3.690 1.324 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2x 1
. 1 . 36 . 1 1 2 ILE HB H -6.869 -5.929 2.158 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2x 1
. 1 . 37 . 1 1 2 ILE HD11 H -7.410 -8.301 1.668 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2x 1
. 1 . 38 . 1 1 2 ILE HD12 H -7.022 -8.997 0.095 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2x 1
. 1 . 39 . 1 1 2 ILE HD13 H -8.368 -7.868 0.251 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2x 1
. 1 . 40 . 1 1 2 ILE HG12 H -6.485 -6.745 -0.731 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2x 1
. 1 . 41 . 1 1 2 ILE HG13 H -5.438 -7.275 0.580 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2x 1
. 1 . 42 . 1 1 2 ILE HG21 H -8.275 -4.158 1.143 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2x 1
. 1 . 43 . 1 1 2 ILE HG22 H -8.903 -5.785 0.884 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2x 1
. 1 . 44 . 1 1 2 ILE HG23 H -8.071 -4.943 -0.423 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2x 1
. 1 . 45 . 1 1 2 ILE N N -5.270 -4.460 -0.478 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2x 1
. 1 . 46 . 1 1 2 ILE O O -4.437 -4.874 3.014 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2x 1
. 1 . 47 . 1 1 3 ALA C C -1.071 -6.169 0.823 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2x 1
. 1 . 48 . 1 1 3 ALA CA C -2.227 -6.058 1.812 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2x 1
. 1 . 49 . 1 1 3 ALA CB C -2.449 -7.389 2.518 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2x 1
. 1 . 50 . 1 1 3 ALA H H -3.532 -5.770 0.170 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2x 1
. 1 . 51 . 1 1 3 ALA HA H -1.981 -5.317 2.558 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2x 1
. 1 . 52 . 1 1 3 ALA HB1 H -1.572 -7.642 3.094 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2x 1
. 1 . 53 . 1 1 3 ALA HB2 H -2.634 -8.159 1.784 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2x 1
. 1 . 54 . 1 1 3 ALA HB3 H -3.300 -7.309 3.177 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2x 1
. 1 . 55 . 1 1 3 ALA N N -3.449 -5.631 1.137 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2x 1
. 1 . 56 . 1 1 3 ALA O O -1.058 -7.062 -0.025 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2x 1
. 1 . 57 . 1 1 4 DHA C C 1.978 -4.054 0.516 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2x 1
. 1 . 58 . 1 1 4 DHA CA C 1.080 -5.111 0.079 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2x 1
. 1 . 59 . 1 1 4 DHA CB C 1.348 -5.835 -0.998 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2x 1
. 1 . 60 . 1 1 4 DHA H H -0.192 -4.629 1.696 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2x 1
. 1 . 61 . 1 1 4 DHA HB1 H 0.672 -6.614 -1.311 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2x 1
. 1 . 62 . 1 1 4 DHA HB2 H 2.246 -5.644 -1.566 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2x 1
. 1 . 63 . 1 1 4 DHA N N -0.104 -5.257 0.949 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2x 1
. 1 . 64 . 1 1 4 DHA O O 1.661 -3.430 1.527 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2x 1
. 1 . 65 . 1 1 5 ALA C C 4.185 -1.752 -0.992 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2x 1
. 1 . 66 . 1 1 5 ALA CA C 3.987 -2.710 0.179 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2x 1
. 1 . 67 . 1 1 5 ALA CB C 5.327 -3.269 0.636 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2x 1
. 1 . 68 . 1 1 5 ALA H H 3.293 -4.349 -0.964 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2x 1
. 1 . 69 . 1 1 5 ALA HA H 3.550 -2.167 1.004 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2x 1
. 1 . 70 . 1 1 5 ALA HB1 H 5.167 -3.985 1.428 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2x 1
. 1 . 71 . 1 1 5 ALA HB2 H 5.947 -2.463 0.999 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2x 1
. 1 . 72 . 1 1 5 ALA HB3 H 5.817 -3.753 -0.196 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2x 1
. 1 . 73 . 1 1 5 ALA N N 3.082 -3.796 -0.183 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2x 1
. 1 . 74 . 1 1 5 ALA O O 4.464 -2.182 -2.111 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2x 1
. 1 . 75 . 1 1 6 SER C C 3.166 0.474 -2.819 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2x 1
. 1 . 76 . 1 1 6 SER CA C 4.200 0.589 -1.798 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2x 1
. 1 . 77 . 1 1 6 SER CB C 5.635 0.541 -2.394 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2x 1
. 1 . 78 . 1 1 6 SER H H 3.817 -0.179 0.192 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2x 1
. 1 . 79 . 1 1 6 SER HB2 H 5.767 -0.369 -2.958 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2x 1
. 1 . 80 . 1 1 6 SER HB3 H 5.786 1.392 -3.042 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2x 1
. 1 . 81 . 1 1 6 SER N N 4.036 -0.453 -0.722 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2x 1
. 1 . 82 . 1 1 7 . C C -0.112 1.131 -4.085 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2x 1
. 1 . 83 . 1 1 7 . CA C 1.253 0.687 -3.886 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2x 1
. 1 . 84 . 1 1 7 . CB C 1.953 -0.093 -4.853 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2x 1
. 1 . 85 . 1 1 7 . HB H 1.559 -0.426 -5.801 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2x 1
. 1 . 86 . 1 1 7 . N N 1.970 0.974 -2.779 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2x 1
. 1 . 87 . 1 1 7 . O O -0.790 0.881 -5.082 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2x 1
. 1 . 88 . 1 1 7 . SG S 3.498 -0.407 -4.264 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2x 1
. 1 . 89 . 1 1 8 THR C C -1.924 3.882 -2.735 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2x 1
. 1 . 90 . 1 1 8 THR CA C -1.929 2.387 -3.045 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2x 1
. 1 . 91 . 1 1 8 THR CB C -2.811 1.654 -2.013 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2x 1
. 1 . 92 . 1 1 8 THR CG2 C -2.178 1.682 -0.628 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2x 1
. 1 . 93 . 1 1 8 THR H H 0.022 2.026 -2.301 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2x 1
. 1 . 94 . 1 1 8 THR HA H -2.359 2.237 -4.024 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2x 1
. 1 . 95 . 1 1 8 THR HB H -2.914 0.623 -2.322 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2x 1
. 1 . 96 . 1 1 8 THR HG1 H -4.607 1.880 -1.228 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2x 1
. 1 . 97 . 1 1 8 THR HG21 H -2.186 2.694 -0.248 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2x 1
. 1 . 98 . 1 1 8 THR HG22 H -1.159 1.329 -0.691 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2x 1
. 1 . 99 . 1 1 8 THR HG23 H -2.739 1.043 0.038 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2x 1
. 1 . 100 . 1 1 8 THR N N -0.570 1.850 -3.062 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2x 1
. 1 . 101 . 1 1 8 THR O O -0.911 4.432 -2.305 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2x 1
. 1 . 102 . 1 1 8 THR OG1 O -4.110 2.254 -1.961 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2x 1
. 1 . 103 . 1 1 9 DBU C C -3.826 6.350 -1.437 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2x 1
. 1 . 104 . 1 1 9 DBU CA C -3.267 5.970 -2.757 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2x 1
. 1 . 105 . 1 1 9 DBU CB C -2.987 6.901 -3.662 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2x 1
. 1 . 106 . 1 1 9 DBU CG C -2.408 6.574 -5.045 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2x 1
. 1 . 107 . 1 1 9 DBU HG1 H -1.435 6.121 -4.930 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2x 1
. 1 . 108 . 1 1 9 DBU HG2 H -2.317 7.482 -5.622 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2x 1
. 1 . 109 . 1 1 9 DBU HG3 H -3.067 5.888 -5.557 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2x 1
. 1 . 110 . 1 1 9 DBU N N -3.060 4.532 -2.961 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2x 1
. 1 . 111 . 1 1 10 . C C -5.045 5.381 1.772 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 C . . . . . . . . . rr_2l2x 1
. 1 . 112 . 1 1 10 . CA C -4.621 6.102 0.588 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 CA . . . . . . . . . rr_2l2x 1
. 1 . 113 . 1 1 10 . CB C -4.688 7.528 0.495 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 CB . . . . . . . . . rr_2l2x 1
. 1 . 114 . 1 1 10 . HB H -5.047 8.194 1.265 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 HB . . . . . . . . . rr_2l2x 1
. 1 . 115 . 1 1 10 . N N -4.133 5.494 -0.518 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 N . . . . . . . . . rr_2l2x 1
. 1 . 116 . 1 1 10 . O O -5.489 5.913 2.791 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 O . . . . . . . . . rr_2l2x 1
. 1 . 117 . 1 1 10 . SG S -4.114 7.995 -1.018 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 SG . . . . . . . . . rr_2l2x 1
. 1 . 118 . 1 1 11 . C C -4.083 2.914 3.645 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2x 1
. 1 . 119 . 1 1 11 . CA C -5.284 3.151 2.727 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2x 1
. 1 . 120 . 1 1 11 . CB C -5.836 1.802 2.145 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2x 1
. 1 . 121 . 1 1 11 . CD1 C -7.588 1.024 0.367 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2x 1
. 1 . 122 . 1 1 11 . CG1 C -7.085 2.149 1.262 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2x 1
. 1 . 123 . 1 1 11 . CG2 C -6.213 0.861 3.245 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2x 1
. 1 . 124 . 1 1 11 . H H -4.551 3.695 0.816 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2x 1
. 1 . 125 . 1 1 11 . HA H -6.069 3.628 3.295 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2x 1
. 1 . 126 . 1 1 11 . HD11 H -7.644 0.108 0.934 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2x 1
. 1 . 127 . 1 1 11 . HD12 H -6.908 0.895 -0.462 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2x 1
. 1 . 128 . 1 1 11 . HD13 H -8.568 1.275 -0.008 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2x 1
. 1 . 129 . 1 1 11 . HD2 H -7.821 3.256 2.722 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2x 1
. 1 . 130 . 1 1 11 . HG1 H -6.851 2.994 0.634 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2x 1
. 1 . 131 . 1 1 11 . HG21 H -6.738 0.012 2.832 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2x 1
. 1 . 132 . 1 1 11 . HG22 H -6.852 1.370 3.952 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2x 1
. 1 . 133 . 1 1 11 . HG23 H -5.322 0.517 3.748 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2x 1
. 1 . 134 . 1 1 11 . HG3 H -4.885 1.580 0.446 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2x 1
. 1 . 135 . 1 1 11 . N N -4.909 4.063 1.650 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2x 1
. 1 . 136 . 1 1 11 . OD2 O -8.126 2.531 2.171 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2x 1
. 1 . 137 . 1 1 11 . OG3 O -4.841 1.207 1.331 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2x 1
. 1 . 138 . 1 1 12 . C C -0.719 1.842 4.180 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2x 1
. 1 . 139 . 1 1 12 . CA C -2.073 2.343 4.309 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2x 1
. 1 . 140 . 1 1 12 . CB C -2.608 2.780 5.561 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2x 1
. 1 . 141 . 1 1 12 . HB H -2.081 2.784 6.504 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2x 1
. 1 . 142 . 1 1 12 . N N -2.938 2.438 3.273 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2x 1
. 1 . 143 . 1 1 12 . O O 0.080 1.749 5.112 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2x 1
. 1 . 144 . 1 1 12 . SG S -4.194 3.287 5.320 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2x 1
. 1 . 145 . 1 1 13 THR C C 1.483 1.668 1.385 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2x 1
. 1 . 146 . 1 1 13 THR CA C 0.901 0.942 2.595 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2x 1
. 1 . 147 . 1 1 13 THR CB C 0.836 -0.579 2.346 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2x 1
. 1 . 148 . 1 1 13 THR CG2 C 0.451 -1.327 3.611 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2x 1
. 1 . 149 . 1 1 13 THR H H -1.085 1.583 2.228 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2x 1
. 1 . 150 . 1 1 13 THR HA H 1.550 1.106 3.442 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2x 1
. 1 . 151 . 1 1 13 THR HB H 1.800 -0.933 2.008 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2x 1
. 1 . 152 . 1 1 13 THR HG21 H 1.174 -1.119 4.387 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2x 1
. 1 . 153 . 1 1 13 THR HG22 H 0.433 -2.388 3.411 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2x 1
. 1 . 154 . 1 1 13 THR HG23 H -0.528 -1.005 3.937 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2x 1
. 1 . 155 . 1 1 13 THR N N -0.413 1.483 2.934 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2x 1
. 1 . 156 . 1 1 13 THR OG1 O -0.210 -0.889 1.340 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2x 1
. 1 . 157 . 1 1 14 . C C 4.114 1.967 -1.042 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2x 1
. 1 . 158 . 1 1 14 . CA C 2.859 2.177 -0.243 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2x 1
. 1 . 159 . 1 1 14 . CB C 1.868 3.185 -0.464 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2x 1
. 1 . 160 . 1 1 14 . HB H 1.894 3.933 -1.242 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2x 1
. 1 . 161 . 1 1 14 . N N 2.594 1.359 0.800 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2x 1
. 1 . 162 . 1 1 14 . SG S 0.657 3.009 0.694 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2x 1
. 1 . 163 . 1 1 15 . C C 7.312 1.733 0.855 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2x 1
. 1 . 164 . 1 1 15 . CA C 6.302 1.499 -0.197 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2x 1
. 1 . 165 . 1 1 15 . CB C 6.676 0.579 -1.281 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2x 1
. 1 . 166 . 1 1 15 . HB2 H 6.781 -0.415 -0.877 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2x 1
. 1 . 167 . 1 1 15 . HB3 H 7.620 0.887 -1.707 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2x 1
. 1 . 168 . 1 1 15 . N N 5.190 2.130 -0.050 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2x 1
. 1 . 169 . 1 1 16 . C C 10.542 1.103 2.208 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2x 1
. 1 . 170 . 1 1 16 . CA C 9.201 1.564 1.938 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2x 1
. 1 . 171 . 1 1 16 . CB C 8.533 2.478 2.803 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2x 1
. 1 . 172 . 1 1 16 . HB H 8.946 2.898 3.708 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2x 1
. 1 . 173 . 1 1 16 . N N 8.478 1.178 0.865 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2x 1
. 1 . 174 . 1 1 16 . O O 11.209 1.453 3.180 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2x 1
. 1 . 175 . 1 1 16 . SG S 6.999 2.789 2.176 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2x 1
. 1 . 176 . 1 1 17 DHA C C 12.516 -1.261 0.124 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2x 1
. 1 . 177 . 1 1 17 DHA CA C 12.305 -0.406 1.278 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2x 1
. 1 . 178 . 1 1 17 DHA CB C 13.243 -0.268 2.203 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2x 1
. 1 . 179 . 1 1 17 DHA H H 10.379 0.045 0.545 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2x 1
. 1 . 180 . 1 1 17 DHA HB1 H 13.076 0.366 3.055 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2x 1
. 1 . 181 . 1 1 17 DHA HB2 H 14.175 -0.793 2.105 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2x 1
. 1 . 182 . 1 1 17 DHA N N 10.988 0.250 1.285 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2x 1
. 1 . 183 . 1 1 17 DHA O O 11.605 -1.344 -0.699 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2x 1
. 1 . 184 . 1 1 18 NH2 HN1 H 13.811 -2.487 -0.779 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . rr_2l2x 1
. 1 . 185 . 1 1 18 NH2 HN2 H 14.355 -1.801 0.689 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . rr_2l2x 1
. 1 . 186 . 1 1 18 NH2 N N 13.667 -1.910 0.000 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . rr_2l2x 1
. 2 . 187 . 1 1 1 QUA C10 C -3.121 -2.390 -2.322 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2x 1
. 2 . 188 . 1 1 1 QUA C11 C 0.160 -1.207 0.093 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2x 1
. 2 . 189 . 1 1 1 QUA C13 C -1.571 -2.798 -4.314 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2x 1
. 2 . 190 . 1 1 1 QUA C14 C -1.486 -4.313 -4.419 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2x 1
. 2 . 191 . 1 1 1 QUA C2 C -1.012 -1.619 -0.743 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2x 1
. 2 . 192 . 1 1 1 QUA C3 C -0.759 -1.991 -2.057 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2x 1
. 2 . 193 . 1 1 1 QUA C4 C -1.826 -2.385 -2.865 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2x 1
. 2 . 194 . 1 1 1 QUA C5 C -4.306 -2.791 -3.097 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2x 1
. 2 . 195 . 1 1 1 QUA C6 C -5.432 -3.087 -2.521 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2x 1
. 2 . 196 . 1 1 1 QUA C7 C -5.603 -3.043 -0.998 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2x 1
. 2 . 197 . 1 1 1 QUA C8 C -4.658 -1.989 -0.359 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2x 1
. 2 . 198 . 1 1 1 QUA C9 C -3.275 -2.003 -1.000 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2x 1
. 2 . 199 . 1 1 1 QUA H13 H -2.384 -2.460 -4.936 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2x 1
. 2 . 200 . 1 1 1 QUA H141 H -0.683 -4.674 -3.792 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2x 1
. 2 . 201 . 1 1 1 QUA H142 H -1.294 -4.593 -5.445 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2x 1
. 2 . 202 . 1 1 1 QUA H143 H -2.419 -4.750 -4.095 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2x 1
. 2 . 203 . 1 1 1 QUA H15 H 0.167 -2.902 -5.242 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2x 1
. 2 . 204 . 1 1 1 QUA H16 H -5.572 -0.575 -1.384 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2x 1
. 2 . 205 . 1 1 1 QUA HC3 H 0.249 -1.976 -2.446 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2x 1
. 2 . 206 . 1 1 1 QUA HC5 H -4.243 -2.840 -4.173 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2x 1
. 2 . 207 . 1 1 1 QUA HC6 H -6.273 -3.375 -3.134 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2x 1
. 2 . 208 . 1 1 1 QUA HC71 H -6.623 -2.788 -0.756 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2x 1
. 2 . 209 . 1 1 1 QUA HC8 H -4.565 -2.216 0.694 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2x 1
. 2 . 210 . 1 1 1 QUA N1 N -2.254 -1.616 -0.190 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2x 1
. 2 . 211 . 1 1 1 QUA O12 O 1.311 -1.150 -0.340 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2x 1
. 2 . 212 . 1 1 1 QUA O15 O -0.352 -2.224 -4.805 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2x 1
. 2 . 213 . 1 1 1 QUA O16 O -5.249 -0.692 -0.488 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2x 1
. 2 . 214 . 1 1 2 ILE C C -4.511 -5.038 1.771 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2x 1
. 2 . 215 . 1 1 2 ILE CA C -5.714 -4.620 0.928 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2x 1
. 2 . 216 . 1 1 2 ILE CB C -6.827 -5.681 1.066 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2x 1
. 2 . 217 . 1 1 2 ILE CD1 C -7.426 -8.101 0.513 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2x 1
. 2 . 218 . 1 1 2 ILE CG1 C -6.441 -6.967 0.325 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2x 1
. 2 . 219 . 1 1 2 ILE CG2 C -8.147 -5.129 0.541 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2x 1
. 2 . 220 . 1 1 2 ILE H H -4.371 -4.617 -0.604 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2x 1
. 2 . 221 . 1 1 2 ILE HA H -6.094 -3.679 1.304 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2x 1
. 2 . 222 . 1 1 2 ILE HB H -6.953 -5.903 2.116 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2x 1
. 2 . 223 . 1 1 2 ILE HD11 H -8.348 -7.867 0.000 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2x 1
. 2 . 224 . 1 1 2 ILE HD12 H -7.625 -8.233 1.567 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2x 1
. 2 . 225 . 1 1 2 ILE HD13 H -7.010 -9.012 0.109 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2x 1
. 2 . 226 . 1 1 2 ILE HG12 H -6.374 -6.759 -0.733 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2x 1
. 2 . 227 . 1 1 2 ILE HG13 H -5.478 -7.304 0.680 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2x 1
. 2 . 228 . 1 1 2 ILE HG21 H -8.097 -5.042 -0.534 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2x 1
. 2 . 229 . 1 1 2 ILE HG22 H -8.327 -4.157 0.973 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2x 1
. 2 . 230 . 1 1 2 ILE HG23 H -8.950 -5.797 0.811 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2x 1
. 2 . 231 . 1 1 2 ILE N N -5.326 -4.423 -0.499 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2x 1
. 2 . 232 . 1 1 2 ILE O O -4.511 -4.884 2.992 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2x 1
. 2 . 233 . 1 1 3 ALA C C -1.109 -6.116 0.790 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2x 1
. 2 . 234 . 1 1 3 ALA CA C -2.265 -5.997 1.780 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2x 1
. 2 . 235 . 1 1 3 ALA CB C -2.487 -7.324 2.489 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2x 1
. 2 . 236 . 1 1 3 ALA H H -3.554 -5.671 0.133 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2x 1
. 2 . 237 . 1 1 3 ALA HA H -2.014 -5.254 2.524 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2x 1
. 2 . 238 . 1 1 3 ALA HB1 H -3.297 -7.224 3.196 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2x 1
. 2 . 239 . 1 1 3 ALA HB2 H -1.585 -7.608 3.012 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2x 1
. 2 . 240 . 1 1 3 ALA HB3 H -2.735 -8.084 1.763 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2x 1
. 2 . 241 . 1 1 3 ALA N N -3.486 -5.567 1.105 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2x 1
. 2 . 242 . 1 1 3 ALA O O -1.119 -6.989 -0.077 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2x 1
. 2 . 243 . 1 1 4 DHA C C 1.982 -4.057 0.524 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2x 1
. 2 . 244 . 1 1 4 DHA CA C 1.071 -5.097 0.075 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2x 1
. 2 . 245 . 1 1 4 DHA CB C 1.334 -5.815 -1.007 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2x 1
. 2 . 246 . 1 1 4 DHA H H -0.196 -4.615 1.695 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2x 1
. 2 . 247 . 1 1 4 DHA HB1 H 0.648 -6.582 -1.330 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2x 1
. 2 . 248 . 1 1 4 DHA HB2 H 2.238 -5.632 -1.568 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2x 1
. 2 . 249 . 1 1 4 DHA N N -0.119 -5.231 0.937 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2x 1
. 2 . 250 . 1 1 4 DHA O O 1.671 -3.435 1.539 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2x 1
. 2 . 251 . 1 1 5 ALA C C 4.224 -1.773 -0.969 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2x 1
. 2 . 252 . 1 1 5 ALA CA C 4.012 -2.734 0.198 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2x 1
. 2 . 253 . 1 1 5 ALA CB C 5.342 -3.316 0.652 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2x 1
. 2 . 254 . 1 1 5 ALA H H 3.296 -4.358 -0.955 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2x 1
. 2 . 255 . 1 1 5 ALA HA H 3.582 -2.191 1.026 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2x 1
. 2 . 256 . 1 1 5 ALA HB1 H 5.798 -3.853 -0.166 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2x 1
. 2 . 257 . 1 1 5 ALA HB2 H 5.176 -3.991 1.478 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2x 1
. 2 . 258 . 1 1 5 ALA HB3 H 5.997 -2.516 0.965 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2x 1
. 2 . 259 . 1 1 5 ALA N N 3.092 -3.806 -0.173 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2x 1
. 2 . 260 . 1 1 5 ALA O O 4.524 -2.199 -2.084 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2x 1
. 2 . 261 . 1 1 6 SER C C 3.192 0.448 -2.797 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2x 1
. 2 . 262 . 1 1 6 SER CA C 4.225 0.572 -1.775 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2x 1
. 2 . 263 . 1 1 6 SER CB C 5.661 0.537 -2.375 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2x 1
. 2 . 264 . 1 1 6 SER H H 3.851 -0.200 0.215 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2x 1
. 2 . 265 . 1 1 6 SER HB2 H 5.801 -0.375 -2.932 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2x 1
. 2 . 266 . 1 1 6 SER HB3 H 5.801 1.384 -3.029 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2x 1
. 2 . 267 . 1 1 6 SER N N 4.069 -0.473 -0.700 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2x 1
. 2 . 268 . 1 1 7 . C C -0.087 1.097 -4.063 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2x 1
. 2 . 269 . 1 1 7 . CA C 1.278 0.654 -3.864 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2x 1
. 2 . 270 . 1 1 7 . CB C 1.978 -0.132 -4.827 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2x 1
. 2 . 271 . 1 1 7 . HB H 1.584 -0.470 -5.774 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2x 1
. 2 . 272 . 1 1 7 . N N 1.997 0.947 -2.758 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2x 1
. 2 . 273 . 1 1 7 . O O -0.765 0.842 -5.061 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2x 1
. 2 . 274 . 1 1 7 . SG S 3.525 -0.441 -4.237 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2x 1
. 2 . 275 . 1 1 8 THR C C -1.904 3.851 -2.717 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2x 1
. 2 . 276 . 1 1 8 THR CA C -1.905 2.358 -3.032 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2x 1
. 2 . 277 . 1 1 8 THR CB C -2.794 1.618 -2.009 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2x 1
. 2 . 278 . 1 1 8 THR CG2 C -2.181 1.656 -0.616 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2x 1
. 2 . 279 . 1 1 8 THR H H 0.043 1.999 -2.282 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2x 1
. 2 . 280 . 1 1 8 THR HA H -2.331 2.212 -4.015 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2x 1
. 2 . 281 . 1 1 8 THR HB H -2.883 0.585 -2.316 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2x 1
. 2 . 282 . 1 1 8 THR HG1 H -4.720 1.586 -1.585 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2x 1
. 2 . 283 . 1 1 8 THR HG21 H -2.762 1.035 0.050 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2x 1
. 2 . 284 . 1 1 8 THR HG22 H -2.179 2.673 -0.249 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2x 1
. 2 . 285 . 1 1 8 THR HG23 H -1.167 1.287 -0.657 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2x 1
. 2 . 286 . 1 1 8 THR N N -0.546 1.821 -3.045 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2x 1
. 2 . 287 . 1 1 8 THR O O -0.898 4.401 -2.268 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2x 1
. 2 . 288 . 1 1 8 THR OG1 O -4.100 2.206 -1.976 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2x 1
. 2 . 289 . 1 1 9 DBU C C -3.824 6.325 -1.446 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2x 1
. 2 . 290 . 1 1 9 DBU CA C -3.244 5.941 -2.756 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2x 1
. 2 . 291 . 1 1 9 DBU CB C -2.946 6.869 -3.659 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2x 1
. 2 . 292 . 1 1 9 DBU CG C -2.345 6.537 -5.031 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2x 1
. 2 . 293 . 1 1 9 DBU HG1 H -1.403 6.024 -4.897 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2x 1
. 2 . 294 . 1 1 9 DBU HG2 H -2.181 7.450 -5.583 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2x 1
. 2 . 295 . 1 1 9 DBU HG3 H -3.026 5.903 -5.579 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2x 1
. 2 . 296 . 1 1 9 DBU N N -3.039 4.503 -2.955 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2x 1
. 2 . 297 . 1 1 10 . C C -5.058 5.366 1.758 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 C . . . . . . . . . rr_2l2x 1
. 2 . 298 . 1 1 10 . CA C -4.636 6.082 0.572 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 CA . . . . . . . . . rr_2l2x 1
. 2 . 299 . 1 1 10 . CB C -4.728 7.506 0.464 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 CB . . . . . . . . . rr_2l2x 1
. 2 . 300 . 1 1 10 . HB H -5.107 8.172 1.223 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 HB . . . . . . . . . rr_2l2x 1
. 2 . 301 . 1 1 10 . N N -4.124 5.472 -0.522 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 N . . . . . . . . . rr_2l2x 1
. 2 . 302 . 1 1 10 . O O -5.522 5.899 2.767 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 O . . . . . . . . . rr_2l2x 1
. 2 . 303 . 1 1 10 . SG S -4.147 7.967 -1.049 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 SG . . . . . . . . . rr_2l2x 1
. 2 . 304 . 1 1 11 . C C -4.073 2.900 3.647 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2x 1
. 2 . 305 . 1 1 11 . CA C -5.276 3.143 2.731 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2x 1
. 2 . 306 . 1 1 11 . CB C -5.845 1.801 2.150 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2x 1
. 2 . 307 . 1 1 11 . CD1 C -7.642 1.052 0.404 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2x 1
. 2 . 308 . 1 1 11 . CG1 C -7.120 2.159 1.311 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2x 1
. 2 . 309 . 1 1 11 . CG2 C -6.191 0.846 3.250 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2x 1
. 2 . 310 . 1 1 11 . H H -4.508 3.680 0.831 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2x 1
. 2 . 311 . 1 1 11 . HA H -6.055 3.630 3.300 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2x 1
. 2 . 312 . 1 1 11 . HD11 H -8.610 1.332 0.016 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2x 1
. 2 . 313 . 1 1 11 . HD12 H -7.730 0.134 0.965 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2x 1
. 2 . 314 . 1 1 11 . HD13 H -6.956 0.908 -0.417 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2x 1
. 2 . 315 . 1 1 11 . HD2 H -7.726 2.805 3.075 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2x 1
. 2 . 316 . 1 1 11 . HG1 H -6.907 3.020 0.694 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2x 1
. 2 . 317 . 1 1 11 . HG21 H -6.793 1.351 3.990 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2x 1
. 2 . 318 . 1 1 11 . HG22 H -5.285 0.480 3.711 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2x 1
. 2 . 319 . 1 1 11 . HG23 H -6.747 0.014 2.844 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2x 1
. 2 . 320 . 1 1 11 . HG3 H -4.458 0.477 1.751 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2x 1
. 2 . 321 . 1 1 11 . N N -4.895 4.050 1.652 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2x 1
. 2 . 322 . 1 1 11 . OD2 O -8.137 2.515 2.257 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2x 1
. 2 . 323 . 1 1 11 . OG3 O -4.875 1.216 1.301 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2x 1
. 2 . 324 . 1 1 12 . C C -0.715 1.807 4.179 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2x 1
. 2 . 325 . 1 1 12 . CA C -2.065 2.319 4.308 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2x 1
. 2 . 326 . 1 1 12 . CB C -2.592 2.768 5.559 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2x 1
. 2 . 327 . 1 1 12 . HB H -2.062 2.774 6.499 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2x 1
. 2 . 328 . 1 1 12 . N N -2.933 2.413 3.272 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2x 1
. 2 . 329 . 1 1 12 . O O 0.084 1.716 5.112 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2x 1
. 2 . 330 . 1 1 12 . SG S -4.176 3.285 5.319 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2x 1
. 2 . 331 . 1 1 13 THR C C 1.489 1.634 1.394 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2x 1
. 2 . 332 . 1 1 13 THR CA C 0.905 0.901 2.598 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2x 1
. 2 . 333 . 1 1 13 THR CB C 0.840 -0.618 2.341 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2x 1
. 2 . 334 . 1 1 13 THR CG2 C 0.462 -1.376 3.604 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2x 1
. 2 . 335 . 1 1 13 THR H H -1.085 1.533 2.230 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2x 1
. 2 . 336 . 1 1 13 THR HA H 1.551 1.061 3.450 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2x 1
. 2 . 337 . 1 1 13 THR HB H 1.804 -0.969 1.997 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2x 1
. 2 . 338 . 1 1 13 THR HG21 H 0.434 -2.434 3.392 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2x 1
. 2 . 339 . 1 1 13 THR HG22 H -0.511 -1.050 3.941 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2x 1
. 2 . 340 . 1 1 13 THR HG23 H 1.194 -1.182 4.373 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2x 1
. 2 . 341 . 1 1 13 THR N N -0.412 1.440 2.935 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2x 1
. 2 . 342 . 1 1 13 THR OG1 O -0.210 -0.923 1.339 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2x 1
. 2 . 343 . 1 1 14 . C C 4.127 1.951 -1.025 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2x 1
. 2 . 344 . 1 1 14 . CA C 2.869 2.152 -0.227 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2x 1
. 2 . 345 . 1 1 14 . CB C 1.875 3.158 -0.448 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2x 1
. 2 . 346 . 1 1 14 . HB H 1.900 3.909 -1.224 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2x 1
. 2 . 347 . 1 1 14 . N N 2.604 1.330 0.812 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2x 1
. 2 . 348 . 1 1 14 . SG S 0.661 2.974 0.705 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2x 1
. 2 . 349 . 1 1 15 . C C 7.338 1.773 0.858 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2x 1
. 2 . 350 . 1 1 15 . CA C 6.324 1.517 -0.186 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2x 1
. 2 . 351 . 1 1 15 . CB C 6.704 0.593 -1.265 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2x 1
. 2 . 352 . 1 1 15 . HB2 H 6.822 -0.397 -0.855 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2x 1
. 2 . 353 . 1 1 15 . HB3 H 7.643 0.911 -1.697 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2x 1
. 2 . 354 . 1 1 15 . N N 5.206 2.134 -0.037 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2x 1
. 2 . 355 . 1 1 16 . C C 10.597 1.193 2.172 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2x 1
. 2 . 356 . 1 1 16 . CA C 9.241 1.641 1.926 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2x 1
. 2 . 357 . 1 1 16 . CB C 8.560 2.551 2.795 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2x 1
. 2 . 358 . 1 1 16 . HB H 8.967 2.987 3.696 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2x 1
. 2 . 359 . 1 1 16 . N N 8.513 1.239 0.860 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2x 1
. 2 . 360 . 1 1 16 . O O 11.280 1.546 3.133 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2x 1
. 2 . 361 . 1 1 16 . SG S 7.017 2.829 2.177 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2x 1
. 2 . 362 . 1 1 17 DHA C C 12.498 -1.172 0.014 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2x 1
. 2 . 363 . 1 1 17 DHA CA C 12.352 -0.303 1.177 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2x 1
. 2 . 364 . 1 1 17 DHA CB C 13.329 -0.145 2.062 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2x 1
. 2 . 365 . 1 1 17 DHA H H 10.399 0.139 0.512 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2x 1
. 2 . 366 . 1 1 17 DHA HB1 H 13.190 0.503 2.911 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2x 1
. 2 . 367 . 1 1 17 DHA HB2 H 14.265 -0.664 1.936 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2x 1
. 2 . 368 . 1 1 17 DHA N N 11.029 0.346 1.234 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2x 1
. 2 . 369 . 1 1 17 DHA O O 11.535 -1.253 -0.748 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2x 1
. 2 . 370 . 1 1 18 NH2 HN1 H 13.709 -2.415 -0.980 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . rr_2l2x 1
. 2 . 371 . 1 1 18 NH2 HN2 H 14.372 -1.744 0.438 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . rr_2l2x 1
. 2 . 372 . 1 1 18 NH2 N N 13.632 -1.837 -0.193 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . rr_2l2x 1
. 3 . 373 . 1 1 1 QUA C10 C -3.086 -2.379 -2.327 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2x 1
. 3 . 374 . 1 1 1 QUA C11 C 0.155 -1.175 0.129 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2x 1
. 3 . 375 . 1 1 1 QUA C13 C -1.514 -2.698 -4.319 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2x 1
. 3 . 376 . 1 1 1 QUA C14 C -1.377 -4.208 -4.455 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2x 1
. 3 . 377 . 1 1 1 QUA C2 C -1.006 -1.595 -0.718 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2x 1
. 3 . 378 . 1 1 1 QUA C3 C -0.737 -1.928 -2.039 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2x 1
. 3 . 379 . 1 1 1 QUA C4 C -1.789 -2.328 -2.863 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2x 1
. 3 . 380 . 1 1 1 QUA C5 C -4.256 -2.791 -3.120 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2x 1
. 3 . 381 . 1 1 1 QUA C6 C -5.377 -3.130 -2.560 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2x 1
. 3 . 382 . 1 1 1 QUA C7 C -5.560 -3.129 -1.037 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2x 1
. 3 . 383 . 1 1 1 QUA C8 C -4.645 -2.068 -0.363 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2x 1
. 3 . 384 . 1 1 1 QUA C9 C -3.258 -2.030 -0.996 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2x 1
. 3 . 385 . 1 1 1 QUA H13 H -2.337 -2.376 -4.937 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2x 1
. 3 . 386 . 1 1 1 QUA H141 H -2.289 -4.684 -4.126 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2x 1
. 3 . 387 . 1 1 1 QUA H142 H -0.552 -4.551 -3.848 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2x 1
. 3 . 388 . 1 1 1 QUA H143 H -1.193 -4.461 -5.489 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2x 1
. 3 . 389 . 1 1 1 QUA H15 H 0.324 -2.744 -5.036 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2x 1
. 3 . 390 . 1 1 1 QUA H16 H -4.638 -0.145 -0.801 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2x 1
. 3 . 391 . 1 1 1 QUA HC3 H 0.272 -1.879 -2.422 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2x 1
. 3 . 392 . 1 1 1 QUA HC5 H -4.184 -2.811 -4.196 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2x 1
. 3 . 393 . 1 1 1 QUA HC6 H -6.207 -3.422 -3.186 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2x 1
. 3 . 394 . 1 1 1 QUA HC71 H -6.587 -2.904 -0.797 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2x 1
. 3 . 395 . 1 1 1 QUA HC8 H -4.551 -2.322 0.683 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2x 1
. 3 . 396 . 1 1 1 QUA N1 N -2.250 -1.637 -0.171 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2x 1
. 3 . 397 . 1 1 1 QUA O12 O 1.308 -1.112 -0.294 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2x 1
. 3 . 398 . 1 1 1 QUA O15 O -0.315 -2.071 -4.792 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2x 1
. 3 . 399 . 1 1 1 QUA O16 O -5.269 -0.784 -0.458 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2x 1
. 3 . 400 . 1 1 2 ILE C C -4.438 -5.121 1.703 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2x 1
. 3 . 401 . 1 1 2 ILE CA C -5.649 -4.755 0.849 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2x 1
. 3 . 402 . 1 1 2 ILE CB C -6.704 -5.875 0.958 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2x 1
. 3 . 403 . 1 1 2 ILE CD1 C -7.148 -8.319 0.367 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2x 1
. 3 . 404 . 1 1 2 ILE CG1 C -6.280 -7.099 0.137 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2x 1
. 3 . 405 . 1 1 2 ILE CG2 C -8.063 -5.362 0.499 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2x 1
. 3 . 406 . 1 1 2 ILE H H -4.295 -4.686 -0.671 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2x 1
. 3 . 407 . 1 1 2 ILE HA H -6.082 -3.842 1.235 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2x 1
. 3 . 408 . 1 1 2 ILE HB H -6.788 -6.159 1.997 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2x 1
. 3 . 409 . 1 1 2 ILE HD11 H -8.138 -8.136 -0.023 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2x 1
. 3 . 410 . 1 1 2 ILE HD12 H -7.212 -8.519 1.427 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2x 1
. 3 . 411 . 1 1 2 ILE HD13 H -6.714 -9.170 -0.135 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2x 1
. 3 . 412 . 1 1 2 ILE HG12 H -6.330 -6.854 -0.912 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2x 1
. 3 . 413 . 1 1 2 ILE HG13 H -5.264 -7.363 0.392 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2x 1
. 3 . 414 . 1 1 2 ILE HG21 H -8.302 -4.454 1.033 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2x 1
. 3 . 415 . 1 1 2 ILE HG22 H -8.817 -6.107 0.701 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2x 1
. 3 . 416 . 1 1 2 ILE HG23 H -8.031 -5.158 -0.561 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2x 1
. 3 . 417 . 1 1 2 ILE N N -5.254 -4.515 -0.570 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2x 1
. 3 . 418 . 1 1 2 ILE O O -4.391 -4.818 2.895 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2x 1
. 3 . 419 . 1 1 3 ALA C C -1.072 -6.261 0.785 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2x 1
. 3 . 420 . 1 1 3 ALA CA C -2.236 -6.164 1.767 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2x 1
. 3 . 421 . 1 1 3 ALA CB C -2.431 -7.488 2.490 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2x 1
. 3 . 422 . 1 1 3 ALA H H -3.569 -6.002 0.132 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2x 1
. 3 . 423 . 1 1 3 ALA HA H -2.009 -5.407 2.503 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2x 1
. 3 . 424 . 1 1 3 ALA HB1 H -3.263 -7.405 3.172 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2x 1
. 3 . 425 . 1 1 3 ALA HB2 H -1.535 -7.733 3.041 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2x 1
. 3 . 426 . 1 1 3 ALA HB3 H -2.634 -8.266 1.767 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2x 1
. 3 . 427 . 1 1 3 ALA N N -3.462 -5.775 1.079 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2x 1
. 3 . 428 . 1 1 3 ALA O O -1.020 -7.177 -0.035 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2x 1
. 3 . 429 . 1 1 4 DHA C C 1.926 -4.081 0.469 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2x 1
. 3 . 430 . 1 1 4 DHA CA C 1.031 -5.133 0.014 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2x 1
. 3 . 431 . 1 1 4 DHA CB C 1.293 -5.827 -1.083 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2x 1
. 3 . 432 . 1 1 4 DHA H H -0.251 -4.673 1.627 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2x 1
. 3 . 433 . 1 1 4 DHA HB1 H 0.617 -6.601 -1.409 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2x 1
. 3 . 434 . 1 1 4 DHA HB2 H 2.183 -5.616 -1.656 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2x 1
. 3 . 435 . 1 1 4 DHA N N -0.142 -5.309 0.889 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2x 1
. 3 . 436 . 1 1 4 DHA O O 1.616 -3.485 1.500 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2x 1
. 3 . 437 . 1 1 5 ALA C C 4.161 -1.759 -1.004 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2x 1
. 3 . 438 . 1 1 5 ALA CA C 3.929 -2.724 0.154 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2x 1
. 3 . 439 . 1 1 5 ALA CB C 5.253 -3.302 0.635 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2x 1
. 3 . 440 . 1 1 5 ALA H H 3.220 -4.322 -1.037 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2x 1
. 3 . 441 . 1 1 5 ALA HA H 3.481 -2.183 0.975 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2x 1
. 3 . 442 . 1 1 5 ALA HB1 H 5.072 -3.976 1.459 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2x 1
. 3 . 443 . 1 1 5 ALA HB2 H 5.899 -2.500 0.959 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2x 1
. 3 . 444 . 1 1 5 ALA HB3 H 5.724 -3.840 -0.174 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2x 1
. 3 . 445 . 1 1 5 ALA N N 3.020 -3.797 -0.235 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2x 1
. 3 . 446 . 1 1 5 ALA O O 4.441 -2.183 -2.126 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2x 1
. 3 . 447 . 1 1 6 SER C C 3.185 0.484 -2.817 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2x 1
. 3 . 448 . 1 1 6 SER CA C 4.213 0.591 -1.786 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2x 1
. 3 . 449 . 1 1 6 SER CB C 5.653 0.545 -2.374 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2x 1
. 3 . 450 . 1 1 6 SER H H 3.836 -0.191 0.198 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2x 1
. 3 . 451 . 1 1 6 SER HB2 H 5.786 -0.361 -2.944 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2x 1
. 3 . 452 . 1 1 6 SER HB3 H 5.810 1.401 -3.013 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2x 1
. 3 . 453 . 1 1 6 SER N N 4.039 -0.460 -0.722 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2x 1
. 3 . 454 . 1 1 7 . C C -0.102 1.109 -4.071 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2x 1
. 3 . 455 . 1 1 7 . CA C 1.272 0.689 -3.883 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2x 1
. 3 . 456 . 1 1 7 . CB C 1.991 -0.044 -4.872 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2x 1
. 3 . 457 . 1 1 7 . HB H 1.607 -0.355 -5.832 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2x 1
. 3 . 458 . 1 1 7 . N N 1.979 0.955 -2.765 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2x 1
. 3 . 459 . 1 1 7 . O O -0.774 0.866 -5.074 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2x 1
. 3 . 460 . 1 1 7 . SG S 3.542 -0.343 -4.289 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2x 1
. 3 . 461 . 1 1 8 THR C C -1.980 3.806 -2.737 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2x 1
. 3 . 462 . 1 1 8 THR CA C -1.946 2.305 -3.008 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2x 1
. 3 . 463 . 1 1 8 THR CB C -2.795 1.573 -1.946 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2x 1
. 3 . 464 . 1 1 8 THR CG2 C -2.146 1.655 -0.570 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2x 1
. 3 . 465 . 1 1 8 THR H H 0.019 1.987 -2.276 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2x 1
. 3 . 466 . 1 1 8 THR HA H -2.387 2.119 -3.977 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2x 1
. 3 . 467 . 1 1 8 THR HB H -2.873 0.534 -2.227 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2x 1
. 3 . 468 . 1 1 8 THR HG1 H -4.374 2.418 -2.772 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2x 1
. 3 . 469 . 1 1 8 THR HG21 H -1.129 1.300 -0.631 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2x 1
. 3 . 470 . 1 1 8 THR HG22 H -2.700 1.040 0.125 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2x 1
. 3 . 471 . 1 1 8 THR HG23 H -2.152 2.679 -0.227 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2x 1
. 3 . 472 . 1 1 8 THR N N -0.573 1.803 -3.036 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2x 1
. 3 . 473 . 1 1 8 THR O O -0.984 4.393 -2.311 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2x 1
. 3 . 474 . 1 1 8 THR OG1 O -4.109 2.140 -1.892 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2x 1
. 3 . 475 . 1 1 9 DBU C C -3.911 6.286 -1.531 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2x 1
. 3 . 476 . 1 1 9 DBU CA C -3.369 5.862 -2.843 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2x 1
. 3 . 477 . 1 1 9 DBU CB C -3.130 6.757 -3.796 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2x 1
. 3 . 478 . 1 1 9 DBU CG C -2.569 6.381 -5.175 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2x 1
. 3 . 479 . 1 1 9 DBU HG1 H -2.475 7.271 -5.779 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2x 1
. 3 . 480 . 1 1 9 DBU HG2 H -3.239 5.686 -5.659 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2x 1
. 3 . 481 . 1 1 9 DBU HG3 H -1.599 5.921 -5.056 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2x 1
. 3 . 482 . 1 1 9 DBU N N -3.131 4.422 -2.988 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2x 1
. 3 . 483 . 1 1 10 . C C -5.054 5.431 1.738 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 C . . . . . . . . . rr_2l2x 1
. 3 . 484 . 1 1 10 . CA C -4.665 6.107 0.517 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 CA . . . . . . . . . rr_2l2x 1
. 3 . 485 . 1 1 10 . CB C -4.759 7.528 0.366 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 CB . . . . . . . . . rr_2l2x 1
. 3 . 486 . 1 1 10 . HB H -5.116 8.219 1.115 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 HB . . . . . . . . . rr_2l2x 1
. 3 . 487 . 1 1 10 . N N -4.185 5.463 -0.572 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 N . . . . . . . . . rr_2l2x 1
. 3 . 488 . 1 1 10 . O O -5.487 6.000 2.741 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 O . . . . . . . . . rr_2l2x 1
. 3 . 489 . 1 1 10 . SG S -4.221 7.941 -1.176 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 SG . . . . . . . . . rr_2l2x 1
. 3 . 490 . 1 1 11 . C C -3.976 3.092 3.693 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2x 1
. 3 . 491 . 1 1 11 . CA C -5.213 3.249 2.809 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2x 1
. 3 . 492 . 1 1 11 . CB C -5.753 1.858 2.324 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2x 1
. 3 . 493 . 1 1 11 . CD1 C -7.593 0.937 0.712 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2x 1
. 3 . 494 . 1 1 11 . CG1 C -7.066 2.123 1.511 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2x 1
. 3 . 495 . 1 1 11 . CG2 C -6.025 0.958 3.488 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2x 1
. 3 . 496 . 1 1 11 . H H -4.565 3.708 0.844 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2x 1
. 3 . 497 . 1 1 11 . HA H -5.989 3.739 3.379 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2x 1
. 3 . 498 . 1 1 11 . HD11 H -6.961 0.776 -0.148 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2x 1
. 3 . 499 . 1 1 11 . HD12 H -8.601 1.144 0.384 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2x 1
. 3 . 500 . 1 1 11 . HD13 H -7.591 0.053 1.332 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2x 1
. 3 . 501 . 1 1 11 . HD2 H -8.674 3.133 2.052 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2x 1
. 3 . 502 . 1 1 11 . HG1 H -6.899 2.939 0.824 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2x 1
. 3 . 503 . 1 1 11 . HG21 H -6.555 0.079 3.151 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2x 1
. 3 . 504 . 1 1 11 . HG22 H -6.628 1.482 4.215 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2x 1
. 3 . 505 . 1 1 11 . HG23 H -5.092 0.659 3.942 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2x 1
. 3 . 506 . 1 1 11 . HG3 H -3.953 1.715 1.565 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2x 1
. 3 . 507 . 1 1 11 . N N -4.898 4.112 1.674 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2x 1
. 3 . 508 . 1 1 11 . OD2 O -8.055 2.526 2.467 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2x 1
. 3 . 509 . 1 1 11 . OG3 O -4.792 1.257 1.473 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2x 1
. 3 . 510 . 1 1 12 . C C -0.613 2.005 4.192 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2x 1
. 3 . 511 . 1 1 12 . CA C -1.949 2.552 4.326 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2x 1
. 3 . 512 . 1 1 12 . CB C -2.411 3.147 5.541 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2x 1
. 3 . 513 . 1 1 12 . HB H -1.838 3.249 6.451 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2x 1
. 3 . 514 . 1 1 12 . N N -2.860 2.546 3.326 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2x 1
. 3 . 515 . 1 1 12 . O O 0.227 1.997 5.092 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2x 1
. 3 . 516 . 1 1 12 . SG S -3.997 3.663 5.314 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2x 1
. 3 . 517 . 1 1 13 THR C C 1.499 1.655 1.410 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2x 1
. 3 . 518 . 1 1 13 THR CA C 0.921 0.935 2.626 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2x 1
. 3 . 519 . 1 1 13 THR CB C 0.822 -0.585 2.380 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2x 1
. 3 . 520 . 1 1 13 THR CG2 C 0.420 -1.322 3.648 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2x 1
. 3 . 521 . 1 1 13 THR H H -1.091 1.521 2.309 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2x 1
. 3 . 522 . 1 1 13 THR HA H 1.584 1.087 3.466 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2x 1
. 3 . 523 . 1 1 13 THR HB H 1.781 -0.960 2.048 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2x 1
. 3 . 524 . 1 1 13 THR HG21 H 1.177 -1.175 4.404 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2x 1
. 3 . 525 . 1 1 13 THR HG22 H 0.322 -2.376 3.437 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2x 1
. 3 . 526 . 1 1 13 THR HG23 H -0.524 -0.936 4.004 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2x 1
. 3 . 527 . 1 1 13 THR N N -0.377 1.506 2.980 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2x 1
. 3 . 528 . 1 1 13 THR OG1 O -0.226 -0.881 1.371 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2x 1
. 3 . 529 . 1 1 14 . C C 4.124 1.962 -1.022 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2x 1
. 3 . 530 . 1 1 14 . CA C 2.868 2.163 -0.223 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2x 1
. 3 . 531 . 1 1 14 . CB C 1.870 3.161 -0.450 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2x 1
. 3 . 532 . 1 1 14 . HB H 1.887 3.904 -1.233 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2x 1
. 3 . 533 . 1 1 14 . N N 2.612 1.351 0.827 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2x 1
. 3 . 534 . 1 1 14 . SG S 0.661 2.984 0.710 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2x 1
. 3 . 535 . 1 1 15 . C C 7.316 1.727 0.886 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2x 1
. 3 . 536 . 1 1 15 . CA C 6.309 1.492 -0.170 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2x 1
. 3 . 537 . 1 1 15 . CB C 6.684 0.571 -1.252 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2x 1
. 3 . 538 . 1 1 15 . HB2 H 6.776 -0.426 -0.850 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2x 1
. 3 . 539 . 1 1 15 . HB3 H 7.634 0.872 -1.670 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2x 1
. 3 . 540 . 1 1 15 . N N 5.198 2.124 -0.027 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2x 1
. 3 . 541 . 1 1 16 . C C 10.552 1.089 2.234 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2x 1
. 3 . 542 . 1 1 16 . CA C 9.206 1.557 1.973 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2x 1
. 3 . 543 . 1 1 16 . CB C 8.528 2.472 2.842 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2x 1
. 3 . 544 . 1 1 16 . HB H 8.932 2.895 3.750 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2x 1
. 3 . 545 . 1 1 16 . N N 8.483 1.174 0.897 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2x 1
. 3 . 546 . 1 1 16 . O O 11.224 1.419 3.210 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2x 1
. 3 . 547 . 1 1 16 . SG S 6.996 2.777 2.208 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2x 1
. 3 . 548 . 1 1 17 DHA C C 12.535 -1.129 -0.001 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2x 1
. 3 . 549 . 1 1 17 DHA CA C 12.312 -0.404 1.245 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2x 1
. 3 . 550 . 1 1 17 DHA CB C 13.223 -0.371 2.210 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2x 1
. 3 . 551 . 1 1 17 DHA H H 10.382 0.082 0.541 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2x 1
. 3 . 552 . 1 1 17 DHA HB1 H 13.028 0.173 3.120 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2x 1
. 3 . 553 . 1 1 17 DHA HB2 H 14.162 -0.886 2.091 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2x 1
. 3 . 554 . 1 1 17 DHA N N 10.995 0.258 1.286 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2x 1
. 3 . 555 . 1 1 17 DHA O O 11.632 -1.100 -0.836 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2x 1
. 3 . 556 . 1 1 18 NH2 HN1 H 13.809 -2.261 -1.051 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . rr_2l2x 1
. 3 . 557 . 1 1 18 NH2 HN2 H 14.370 -1.777 0.483 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . rr_2l2x 1
. 3 . 558 . 1 1 18 NH2 N N 13.677 -1.782 -0.206 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . rr_2l2x 1
. 4 . 559 . 1 1 1 QUA C10 C -3.067 -2.447 -2.307 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2x 1
. 4 . 560 . 1 1 1 QUA C11 C 0.167 -1.204 0.135 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2x 1
. 4 . 561 . 1 1 1 QUA C13 C -1.484 -2.849 -4.276 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2x 1
. 4 . 562 . 1 1 1 QUA C14 C -1.383 -4.364 -4.369 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2x 1
. 4 . 563 . 1 1 1 QUA C2 C -0.990 -1.637 -0.708 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2x 1
. 4 . 564 . 1 1 1 QUA C3 C -0.715 -2.016 -2.015 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2x 1
. 4 . 565 . 1 1 1 QUA C4 C -1.766 -2.429 -2.834 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2x 1
. 4 . 566 . 1 1 1 QUA C5 C -4.236 -2.871 -3.093 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2x 1
. 4 . 567 . 1 1 1 QUA C6 C -5.365 -3.179 -2.530 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2x 1
. 4 . 568 . 1 1 1 QUA C7 C -5.557 -3.126 -1.009 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2x 1
. 4 . 569 . 1 1 1 QUA C8 C -4.636 -2.052 -0.367 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2x 1
. 4 . 570 . 1 1 1 QUA C9 C -3.245 -2.052 -0.990 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2x 1
. 4 . 571 . 1 1 1 QUA H13 H -2.292 -2.525 -4.912 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2x 1
. 4 . 572 . 1 1 1 QUA H141 H -0.589 -4.712 -3.725 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2x 1
. 4 . 573 . 1 1 1 QUA H142 H -1.170 -4.649 -5.389 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2x 1
. 4 . 574 . 1 1 1 QUA H143 H -2.318 -4.808 -4.060 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2x 1
. 4 . 575 . 1 1 1 QUA H15 H -0.412 -1.876 -5.618 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2x 1
. 4 . 576 . 1 1 1 QUA H16 H -5.222 -0.504 -1.439 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2x 1
. 4 . 577 . 1 1 1 QUA HC3 H 0.296 -1.991 -2.392 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2x 1
. 4 . 578 . 1 1 1 QUA HC5 H -4.159 -2.927 -4.169 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2x 1
. 4 . 579 . 1 1 1 QUA HC6 H -6.194 -3.483 -3.151 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2x 1
. 4 . 580 . 1 1 1 QUA HC71 H -6.583 -2.888 -0.781 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2x 1
. 4 . 581 . 1 1 1 QUA HC8 H -4.554 -2.265 0.689 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2x 1
. 4 . 582 . 1 1 1 QUA N1 N -2.238 -1.645 -0.170 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2x 1
. 4 . 583 . 1 1 1 QUA O12 O 1.321 -1.134 -0.288 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2x 1
. 4 . 584 . 1 1 1 QUA O15 O -0.265 -2.265 -4.753 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2x 1
. 4 . 585 . 1 1 1 QUA O16 O -5.246 -0.765 -0.515 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2x 1
. 4 . 586 . 1 1 2 ILE C C -4.406 -4.999 1.788 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2x 1
. 4 . 587 . 1 1 2 ILE CA C -5.634 -4.685 0.937 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2x 1
. 4 . 588 . 1 1 2 ILE CB C -6.668 -5.818 1.105 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2x 1
. 4 . 589 . 1 1 2 ILE CD1 C -7.053 -8.291 0.602 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2x 1
. 4 . 590 . 1 1 2 ILE CG1 C -6.257 -7.044 0.280 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2x 1
. 4 . 591 . 1 1 2 ILE CG2 C -8.051 -5.329 0.696 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2x 1
. 4 . 592 . 1 1 2 ILE H H -4.305 -4.686 -0.606 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2x 1
. 4 . 593 . 1 1 2 ILE HA H -6.077 -3.763 1.291 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2x 1
. 4 . 594 . 1 1 2 ILE HB H -6.704 -6.090 2.149 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2x 1
. 4 . 595 . 1 1 2 ILE HD11 H -6.955 -8.520 1.652 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2x 1
. 4 . 596 . 1 1 2 ILE HD12 H -6.677 -9.118 0.017 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2x 1
. 4 . 597 . 1 1 2 ILE HD13 H -8.093 -8.127 0.364 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2x 1
. 4 . 598 . 1 1 2 ILE HG12 H -6.395 -6.827 -0.767 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2x 1
. 4 . 599 . 1 1 2 ILE HG13 H -5.214 -7.260 0.464 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2x 1
. 4 . 600 . 1 1 2 ILE HG21 H -8.321 -4.473 1.298 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2x 1
. 4 . 601 . 1 1 2 ILE HG22 H -8.772 -6.117 0.849 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2x 1
. 4 . 602 . 1 1 2 ILE HG23 H -8.040 -5.047 -0.346 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2x 1
. 4 . 603 . 1 1 2 ILE N N -5.261 -4.499 -0.496 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2x 1
. 4 . 604 . 1 1 2 ILE O O -4.370 -4.695 2.980 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2x 1
. 4 . 605 . 1 1 3 ALA C C -1.018 -6.117 0.856 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2x 1
. 4 . 606 . 1 1 3 ALA CA C -2.167 -5.964 1.848 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2x 1
. 4 . 607 . 1 1 3 ALA CB C -2.350 -7.247 2.643 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2x 1
. 4 . 608 . 1 1 3 ALA H H -3.500 -5.828 0.211 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2x 1
. 4 . 609 . 1 1 3 ALA HA H -1.929 -5.169 2.540 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2x 1
. 4 . 610 . 1 1 3 ALA HB1 H -1.442 -7.467 3.184 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2x 1
. 4 . 611 . 1 1 3 ALA HB2 H -2.572 -8.061 1.968 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2x 1
. 4 . 612 . 1 1 3 ALA HB3 H -3.165 -7.126 3.341 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2x 1
. 4 . 613 . 1 1 3 ALA N N -3.405 -5.610 1.161 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2x 1
. 4 . 614 . 1 1 3 ALA O O -1.018 -7.034 0.038 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2x 1
. 4 . 615 . 1 1 4 DHA C C 2.050 -4.043 0.482 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2x 1
. 4 . 616 . 1 1 4 DHA CA C 1.141 -5.103 0.078 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2x 1
. 4 . 617 . 1 1 4 DHA CB C 1.403 -5.864 -0.975 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2x 1
. 4 . 618 . 1 1 4 DHA H H -0.125 -4.555 1.675 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2x 1
. 4 . 619 . 1 1 4 DHA HB1 H 0.719 -6.646 -1.264 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2x 1
. 4 . 620 . 1 1 4 DHA HB2 H 2.304 -5.699 -1.549 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2x 1
. 4 . 621 . 1 1 4 DHA N N -0.043 -5.209 0.950 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2x 1
. 4 . 622 . 1 1 4 DHA O O 1.739 -3.384 1.474 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2x 1
. 4 . 623 . 1 1 5 ALA C C 4.221 -1.760 -1.044 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2x 1
. 4 . 624 . 1 1 5 ALA CA C 4.080 -2.739 0.116 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2x 1
. 4 . 625 . 1 1 5 ALA CB C 5.439 -3.308 0.498 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2x 1
. 4 . 626 . 1 1 5 ALA H H 3.358 -4.394 -0.990 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2x 1
. 4 . 627 . 1 1 5 ALA HA H 3.684 -2.212 0.972 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2x 1
. 4 . 628 . 1 1 5 ALA HB1 H 5.858 -3.836 -0.347 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2x 1
. 4 . 629 . 1 1 5 ALA HB2 H 5.324 -3.990 1.327 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2x 1
. 4 . 630 . 1 1 5 ALA HB3 H 6.100 -2.502 0.782 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2x 1
. 4 . 631 . 1 1 5 ALA N N 3.157 -3.819 -0.223 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2x 1
. 4 . 632 . 1 1 5 ALA O O 4.488 -2.163 -2.176 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2x 1
. 4 . 633 . 1 1 6 SER C C 3.138 0.493 -2.825 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2x 1
. 4 . 634 . 1 1 6 SER CA C 4.178 0.599 -1.806 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2x 1
. 4 . 635 . 1 1 6 SER CB C 5.610 0.584 -2.412 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2x 1
. 4 . 636 . 1 1 6 SER H H 3.807 -0.219 0.167 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2x 1
. 4 . 637 . 1 1 6 SER HB2 H 5.749 -0.309 -3.001 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2x 1
. 4 . 638 . 1 1 6 SER HB3 H 5.748 1.454 -3.036 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2x 1
. 4 . 639 . 1 1 6 SER N N 4.036 -0.469 -0.752 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2x 1
. 4 . 640 . 1 1 7 . C C -0.148 1.163 -4.063 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2x 1
. 4 . 641 . 1 1 7 . CA C 1.218 0.717 -3.878 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2x 1
. 4 . 642 . 1 1 7 . CB C 1.913 -0.053 -4.857 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2x 1
. 4 . 643 . 1 1 7 . HB H 1.513 -0.377 -5.806 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2x 1
. 4 . 644 . 1 1 7 . N N 1.942 0.992 -2.771 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2x 1
. 4 . 645 . 1 1 7 . O O -0.835 0.916 -5.055 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2x 1
. 4 . 646 . 1 1 7 . SG S 3.462 -0.373 -4.281 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2x 1
. 4 . 647 . 1 1 8 THR C C -1.948 3.904 -2.636 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2x 1
. 4 . 648 . 1 1 8 THR CA C -1.952 2.424 -3.007 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2x 1
. 4 . 649 . 1 1 8 THR CB C -2.844 1.649 -2.014 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2x 1
. 4 . 650 . 1 1 8 THR CG2 C -2.225 1.622 -0.623 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2x 1
. 4 . 651 . 1 1 8 THR H H 0.006 2.062 -2.283 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2x 1
. 4 . 652 . 1 1 8 THR HA H -2.375 2.315 -3.996 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2x 1
. 4 . 653 . 1 1 8 THR HB H -2.946 0.633 -2.366 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2x 1
. 4 . 654 . 1 1 8 THR HG1 H -4.789 1.589 -1.693 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2x 1
. 4 . 655 . 1 1 8 THR HG21 H -1.201 1.284 -0.691 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2x 1
. 4 . 656 . 1 1 8 THR HG22 H -2.785 0.945 0.005 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2x 1
. 4 . 657 . 1 1 8 THR HG23 H -2.250 2.613 -0.196 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2x 1
. 4 . 658 . 1 1 8 THR N N -0.594 1.885 -3.037 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2x 1
. 4 . 659 . 1 1 8 THR O O -0.988 4.405 -2.051 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2x 1
. 4 . 660 . 1 1 8 THR OG1 O -4.142 2.250 -1.951 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2x 1
. 4 . 661 . 1 1 9 DBU C C -3.795 6.407 -1.443 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2x 1
. 4 . 662 . 1 1 9 DBU CA C -3.217 6.036 -2.758 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2x 1
. 4 . 663 . 1 1 9 DBU CB C -2.907 6.976 -3.643 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2x 1
. 4 . 664 . 1 1 9 DBU CG C -2.307 6.658 -5.020 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2x 1
. 4 . 665 . 1 1 9 DBU HG1 H -1.360 6.155 -4.893 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2x 1
. 4 . 666 . 1 1 9 DBU HG2 H -2.154 7.577 -5.567 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2x 1
. 4 . 667 . 1 1 9 DBU HG3 H -2.983 6.021 -5.569 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2x 1
. 4 . 668 . 1 1 9 DBU N N -3.029 4.599 -2.981 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2x 1
. 4 . 669 . 1 1 10 . C C -5.067 5.413 1.738 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 C . . . . . . . . . rr_2l2x 1
. 4 . 670 . 1 1 10 . CA C -4.621 6.142 0.567 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 CA . . . . . . . . . rr_2l2x 1
. 4 . 671 . 1 1 10 . CB C -4.677 7.570 0.488 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 CB . . . . . . . . . rr_2l2x 1
. 4 . 672 . 1 1 10 . HB H -5.042 8.231 1.261 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 HB . . . . . . . . . rr_2l2x 1
. 4 . 673 . 1 1 10 . N N -4.121 5.542 -0.538 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 N . . . . . . . . . rr_2l2x 1
. 4 . 674 . 1 1 10 . O O -5.524 5.936 2.754 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 O . . . . . . . . . rr_2l2x 1
. 4 . 675 . 1 1 10 . SG S -4.077 8.048 -1.012 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 SG . . . . . . . . . rr_2l2x 1
. 4 . 676 . 1 1 11 . C C -4.104 2.962 3.604 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2x 1
. 4 . 677 . 1 1 11 . CA C -5.300 3.175 2.675 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2x 1
. 4 . 678 . 1 1 11 . CB C -5.816 1.817 2.085 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2x 1
. 4 . 679 . 1 1 11 . CD1 C -7.597 0.998 0.355 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2x 1
. 4 . 680 . 1 1 11 . CG1 C -7.110 2.126 1.255 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2x 1
. 4 . 681 . 1 1 11 . CG2 C -6.111 0.836 3.177 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2x 1
. 4 . 682 . 1 1 11 . H H -4.579 3.735 0.766 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2x 1
. 4 . 683 . 1 1 11 . HA H -6.101 3.636 3.237 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2x 1
. 4 . 684 . 1 1 11 . HD11 H -6.923 0.891 -0.482 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2x 1
. 4 . 685 . 1 1 11 . HD12 H -8.586 1.229 -0.007 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2x 1
. 4 . 686 . 1 1 11 . HD13 H -7.624 0.074 0.914 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2x 1
. 4 . 687 . 1 1 11 . HD2 H -8.926 1.945 2.008 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2x 1
. 4 . 688 . 1 1 11 . HG1 H -6.936 2.993 0.636 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2x 1
. 4 . 689 . 1 1 11 . HG21 H -6.717 1.312 3.934 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2x 1
. 4 . 690 . 1 1 11 . HG22 H -5.185 0.496 3.617 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2x 1
. 4 . 691 . 1 1 11 . HG23 H -6.645 -0.009 2.770 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2x 1
. 4 . 692 . 1 1 11 . HG3 H -5.044 1.506 0.312 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2x 1
. 4 . 693 . 1 1 11 . N N -4.933 4.097 1.605 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2x 1
. 4 . 694 . 1 1 11 . OD2 O -8.132 2.445 2.209 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2x 1
. 4 . 695 . 1 1 11 . OG3 O -4.829 1.283 1.222 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2x 1
. 4 . 696 . 1 1 12 . C C -0.749 1.881 4.176 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2x 1
. 4 . 697 . 1 1 12 . CA C -2.099 2.398 4.288 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2x 1
. 4 . 698 . 1 1 12 . CB C -2.630 2.883 5.525 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2x 1
. 4 . 699 . 1 1 12 . HB H -2.103 2.915 6.467 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2x 1
. 4 . 700 . 1 1 12 . N N -2.962 2.465 3.248 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2x 1
. 4 . 701 . 1 1 12 . O O 0.050 1.818 5.111 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2x 1
. 4 . 702 . 1 1 12 . SG S -4.213 3.395 5.264 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2x 1
. 4 . 703 . 1 1 13 THR C C 1.449 1.653 1.397 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2x 1
. 4 . 704 . 1 1 13 THR CA C 0.873 0.935 2.616 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2x 1
. 4 . 705 . 1 1 13 THR CB C 0.822 -0.588 2.383 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2x 1
. 4 . 706 . 1 1 13 THR CG2 C 0.440 -1.329 3.654 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2x 1
. 4 . 707 . 1 1 13 THR H H -1.130 1.525 2.243 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2x 1
. 4 . 708 . 1 1 13 THR HA H 1.518 1.116 3.462 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2x 1
. 4 . 709 . 1 1 13 THR HB H 1.791 -0.936 2.052 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2x 1
. 4 . 710 . 1 1 13 THR HG21 H 1.161 -1.108 4.428 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2x 1
. 4 . 711 . 1 1 13 THR HG22 H 0.432 -2.391 3.463 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2x 1
. 4 . 712 . 1 1 13 THR HG23 H -0.541 -1.012 3.975 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2x 1
. 4 . 713 . 1 1 13 THR N N -0.448 1.470 2.945 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2x 1
. 4 . 714 . 1 1 13 THR OG1 O -0.217 -0.918 1.377 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2x 1
. 4 . 715 . 1 1 14 . C C 4.087 1.959 -1.022 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2x 1
. 4 . 716 . 1 1 14 . CA C 2.823 2.158 -0.232 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2x 1
. 4 . 717 . 1 1 14 . CB C 1.815 3.144 -0.475 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2x 1
. 4 . 718 . 1 1 14 . HB H 1.830 3.880 -1.266 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2x 1
. 4 . 719 . 1 1 14 . N N 2.568 1.354 0.823 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2x 1
. 4 . 720 . 1 1 14 . SG S 0.601 2.966 0.679 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2x 1
. 4 . 721 . 1 1 15 . C C 7.279 1.686 0.878 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2x 1
. 4 . 722 . 1 1 15 . CA C 6.274 1.481 -0.186 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2x 1
. 4 . 723 . 1 1 15 . CB C 6.656 0.602 -1.301 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2x 1
. 4 . 724 . 1 1 15 . HB2 H 6.780 -0.403 -0.931 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2x 1
. 4 . 725 . 1 1 15 . HB3 H 7.593 0.939 -1.722 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2x 1
. 4 . 726 . 1 1 15 . N N 5.156 2.097 -0.018 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2x 1
. 4 . 727 . 1 1 16 . C C 10.532 1.046 2.182 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2x 1
. 4 . 728 . 1 1 16 . CA C 9.176 1.502 1.950 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2x 1
. 4 . 729 . 1 1 16 . CB C 8.488 2.365 2.860 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2x 1
. 4 . 730 . 1 1 16 . HB H 8.886 2.755 3.784 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2x 1
. 4 . 731 . 1 1 16 . N N 8.455 1.155 0.860 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2x 1
. 4 . 732 . 1 1 16 . O O 11.210 1.356 3.160 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2x 1
. 4 . 733 . 1 1 16 . SG S 6.947 2.672 2.246 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2x 1
. 4 . 734 . 1 1 17 DHA C C 12.411 -1.317 0.003 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2x 1
. 4 . 735 . 1 1 17 DHA CA C 12.305 -0.377 1.115 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2x 1
. 4 . 736 . 1 1 17 DHA CB C 13.329 -0.131 1.924 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2x 1
. 4 . 737 . 1 1 17 DHA H H 10.322 0.018 0.507 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2x 1
. 4 . 738 . 1 1 17 DHA HB1 H 13.218 0.569 2.736 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2x 1
. 4 . 739 . 1 1 17 DHA HB2 H 14.273 -0.628 1.773 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2x 1
. 4 . 740 . 1 1 17 DHA N N 10.965 0.233 1.214 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2x 1
. 4 . 741 . 1 1 17 DHA O O 11.407 -1.479 -0.690 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2x 1
. 4 . 742 . 1 1 18 NH2 HN1 H 13.603 -2.584 -0.985 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . rr_2l2x 1
. 4 . 743 . 1 1 18 NH2 HN2 H 14.326 -1.800 0.343 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . rr_2l2x 1
. 4 . 744 . 1 1 18 NH2 N N 13.553 -1.958 -0.232 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . rr_2l2x 1
. 5 . 745 . 1 1 1 QUA C10 C -3.083 -2.371 -2.315 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2x 1
. 5 . 746 . 1 1 1 QUA C11 C 0.169 -1.192 0.131 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2x 1
. 5 . 747 . 1 1 1 QUA C13 C -1.512 -2.752 -4.297 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2x 1
. 5 . 748 . 1 1 1 QUA C14 C -1.429 -4.266 -4.415 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2x 1
. 5 . 749 . 1 1 1 QUA C2 C -0.994 -1.602 -0.713 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2x 1
. 5 . 750 . 1 1 1 QUA C3 C -0.728 -1.961 -2.027 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2x 1
. 5 . 751 . 1 1 1 QUA C4 C -1.785 -2.353 -2.848 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2x 1
. 5 . 752 . 1 1 1 QUA C5 C -4.260 -2.773 -3.103 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2x 1
. 5 . 753 . 1 1 1 QUA C6 C -5.386 -3.087 -2.538 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2x 1
. 5 . 754 . 1 1 1 QUA C7 C -5.566 -3.065 -1.015 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2x 1
. 5 . 755 . 1 1 1 QUA C8 C -4.642 -2.001 -0.361 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2x 1
. 5 . 756 . 1 1 1 QUA C9 C -3.253 -1.998 -0.990 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2x 1
. 5 . 757 . 1 1 1 QUA H13 H -2.318 -2.407 -4.926 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2x 1
. 5 . 758 . 1 1 1 QUA H141 H -0.638 -4.634 -3.777 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2x 1
. 5 . 759 . 1 1 1 QUA H142 H -1.219 -4.537 -5.439 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2x 1
. 5 . 760 . 1 1 1 QUA H143 H -2.369 -4.704 -4.112 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2x 1
. 5 . 761 . 1 1 1 QUA H15 H 0.160 -2.798 -5.345 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2x 1
. 5 . 762 . 1 1 1 QUA H16 H -5.105 -0.375 -1.374 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2x 1
. 5 . 763 . 1 1 1 QUA HC3 H 0.282 -1.936 -2.408 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2x 1
. 5 . 764 . 1 1 1 QUA HC5 H -4.189 -2.806 -4.179 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2x 1
. 5 . 765 . 1 1 1 QUA HC6 H -6.222 -3.373 -3.159 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2x 1
. 5 . 766 . 1 1 1 QUA HC71 H -6.591 -2.831 -0.774 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2x 1
. 5 . 767 . 1 1 1 QUA HC8 H -4.554 -2.233 0.691 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2x 1
. 5 . 768 . 1 1 1 QUA N1 N -2.240 -1.612 -0.169 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2x 1
. 5 . 769 . 1 1 1 QUA O12 O 1.323 -1.136 -0.291 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2x 1
. 5 . 770 . 1 1 1 QUA O15 O -0.288 -2.174 -4.768 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2x 1
. 5 . 771 . 1 1 1 QUA O16 O -5.249 -0.712 -0.486 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2x 1
. 5 . 772 . 1 1 2 ILE C C -4.411 -5.018 1.739 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2x 1
. 5 . 773 . 1 1 2 ILE CA C -5.635 -4.666 0.899 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2x 1
. 5 . 774 . 1 1 2 ILE CB C -6.683 -5.787 1.042 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2x 1
. 5 . 775 . 1 1 2 ILE CD1 C -7.110 -8.237 0.463 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2x 1
. 5 . 776 . 1 1 2 ILE CG1 C -6.311 -6.985 0.162 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2x 1
. 5 . 777 . 1 1 2 ILE CG2 C -8.067 -5.263 0.684 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2x 1
. 5 . 778 . 1 1 2 ILE H H -4.307 -4.626 -0.648 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2x 1
. 5 . 779 . 1 1 2 ILE HA H -6.066 -3.747 1.277 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2x 1
. 5 . 780 . 1 1 2 ILE HB H -6.702 -6.101 2.075 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2x 1
. 5 . 781 . 1 1 2 ILE HD11 H -6.760 -9.047 -0.159 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2x 1
. 5 . 782 . 1 1 2 ILE HD12 H -8.155 -8.055 0.262 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2x 1
. 5 . 783 . 1 1 2 ILE HD13 H -6.984 -8.503 1.503 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2x 1
. 5 . 784 . 1 1 2 ILE HG12 H -6.481 -6.729 -0.874 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2x 1
. 5 . 785 . 1 1 2 ILE HG13 H -5.266 -7.217 0.302 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2x 1
. 5 . 786 . 1 1 2 ILE HG21 H -8.084 -4.971 -0.356 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2x 1
. 5 . 787 . 1 1 2 ILE HG22 H -8.298 -4.408 1.302 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2x 1
. 5 . 788 . 1 1 2 ILE HG23 H -8.801 -6.037 0.853 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2x 1
. 5 . 789 . 1 1 2 ILE N N -5.263 -4.446 -0.531 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2x 1
. 5 . 790 . 1 1 2 ILE O O -4.349 -4.700 2.928 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2x 1
. 5 . 791 . 1 1 3 ALA C C -1.056 -6.201 0.811 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2x 1
. 5 . 792 . 1 1 3 ALA CA C -2.213 -6.072 1.797 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2x 1
. 5 . 793 . 1 1 3 ALA CB C -2.421 -7.381 2.545 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2x 1
. 5 . 794 . 1 1 3 ALA H H -3.553 -5.905 0.166 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2x 1
. 5 . 795 . 1 1 3 ALA HA H -1.973 -5.305 2.519 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2x 1
. 5 . 796 . 1 1 3 ALA HB1 H -2.631 -8.170 1.839 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2x 1
. 5 . 797 . 1 1 3 ALA HB2 H -3.253 -7.277 3.227 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2x 1
. 5 . 798 . 1 1 3 ALA HB3 H -1.528 -7.624 3.102 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2x 1
. 5 . 799 . 1 1 3 ALA N N -3.440 -5.678 1.113 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2x 1
. 5 . 800 . 1 1 3 ALA O O -1.033 -7.116 -0.011 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2x 1
. 5 . 801 . 1 1 4 DHA C C 1.983 -4.078 0.469 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2x 1
. 5 . 802 . 1 1 4 DHA CA C 1.082 -5.134 0.037 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2x 1
. 5 . 803 . 1 1 4 DHA CB C 1.344 -5.860 -1.040 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2x 1
. 5 . 804 . 1 1 4 DHA H H -0.187 -4.635 1.648 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2x 1
. 5 . 805 . 1 1 4 DHA HB1 H 0.665 -6.640 -1.349 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2x 1
. 5 . 806 . 1 1 4 DHA HB2 H 2.241 -5.672 -1.611 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2x 1
. 5 . 807 . 1 1 4 DHA N N -0.097 -5.276 0.913 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2x 1
. 5 . 808 . 1 1 4 DHA O O 1.671 -3.453 1.483 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2x 1
. 5 . 809 . 1 1 5 ALA C C 4.203 -1.775 -1.026 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2x 1
. 5 . 810 . 1 1 5 ALA CA C 3.999 -2.744 0.134 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2x 1
. 5 . 811 . 1 1 5 ALA CB C 5.333 -3.324 0.581 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2x 1
. 5 . 812 . 1 1 5 ALA H H 3.281 -4.361 -1.028 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2x 1
. 5 . 813 . 1 1 5 ALA HA H 3.570 -2.207 0.966 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2x 1
. 5 . 814 . 1 1 5 ALA HB1 H 5.776 -3.877 -0.234 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2x 1
. 5 . 815 . 1 1 5 ALA HB2 H 5.175 -3.983 1.421 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2x 1
. 5 . 816 . 1 1 5 ALA HB3 H 5.994 -2.521 0.873 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2x 1
. 5 . 817 . 1 1 5 ALA N N 3.082 -3.817 -0.237 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2x 1
. 5 . 818 . 1 1 5 ALA O O 4.496 -2.191 -2.146 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2x 1
. 5 . 819 . 1 1 6 SER C C 3.188 0.474 -2.836 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2x 1
. 5 . 820 . 1 1 6 SER CA C 4.213 0.579 -1.804 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2x 1
. 5 . 821 . 1 1 6 SER CB C 5.653 0.545 -2.389 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2x 1
. 5 . 822 . 1 1 6 SER H H 3.808 -0.217 0.170 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2x 1
. 5 . 823 . 1 1 6 SER HB2 H 5.795 -0.360 -2.959 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2x 1
. 5 . 824 . 1 1 6 SER HB3 H 5.804 1.401 -3.031 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2x 1
. 5 . 825 . 1 1 6 SER N N 4.042 -0.478 -0.745 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2x 1
. 5 . 826 . 1 1 7 . C C -0.087 1.119 -4.115 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2x 1
. 5 . 827 . 1 1 7 . CA C 1.282 0.688 -3.914 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2x 1
. 5 . 828 . 1 1 7 . CB C 1.998 -0.065 -4.890 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2x 1
. 5 . 829 . 1 1 7 . HB H 1.614 -0.383 -5.848 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2x 1
. 5 . 830 . 1 1 7 . N N 1.987 0.959 -2.795 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2x 1
. 5 . 831 . 1 1 7 . O O -0.753 0.876 -5.121 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2x 1
. 5 . 832 . 1 1 7 . SG S 3.541 -0.374 -4.297 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2x 1
. 5 . 833 . 1 1 8 THR C C -1.949 3.834 -2.772 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2x 1
. 5 . 834 . 1 1 8 THR CA C -1.926 2.338 -3.076 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2x 1
. 5 . 835 . 1 1 8 THR CB C -2.802 1.591 -2.047 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2x 1
. 5 . 836 . 1 1 8 THR CG2 C -2.185 1.642 -0.657 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2x 1
. 5 . 837 . 1 1 8 THR H H 0.026 2.000 -2.321 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2x 1
. 5 . 838 . 1 1 8 THR HA H -2.350 2.180 -4.057 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2x 1
. 5 . 839 . 1 1 8 THR HB H -2.878 0.556 -2.351 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2x 1
. 5 . 840 . 1 1 8 THR HG1 H -4.630 1.827 -2.753 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2x 1
. 5 . 841 . 1 1 8 THR HG21 H -1.168 1.282 -0.701 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2x 1
. 5 . 842 . 1 1 8 THR HG22 H -2.758 1.018 0.013 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2x 1
. 5 . 843 . 1 1 8 THR HG23 H -2.192 2.659 -0.295 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2x 1
. 5 . 844 . 1 1 8 THR N N -0.560 1.821 -3.088 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2x 1
. 5 . 845 . 1 1 8 THR O O -0.932 4.416 -2.393 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2x 1
. 5 . 846 . 1 1 8 THR OG1 O -4.117 2.159 -2.013 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2x 1
. 5 . 847 . 1 1 9 DBU C C -3.920 6.303 -1.477 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2x 1
. 5 . 848 . 1 1 9 DBU CA C -3.344 5.889 -2.779 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2x 1
. 5 . 849 . 1 1 9 DBU CB C -3.070 6.796 -3.710 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2x 1
. 5 . 850 . 1 1 9 DBU CG C -2.473 6.432 -5.078 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2x 1
. 5 . 851 . 1 1 9 DBU HG1 H -1.531 5.923 -4.936 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2x 1
. 5 . 852 . 1 1 9 DBU HG2 H -2.313 7.334 -5.650 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2x 1
. 5 . 853 . 1 1 9 DBU HG3 H -3.157 5.786 -5.609 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2x 1
. 5 . 854 . 1 1 9 DBU N N -3.115 4.449 -2.940 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2x 1
. 5 . 855 . 1 1 10 . C C -5.107 5.426 1.769 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 C . . . . . . . . . rr_2l2x 1
. 5 . 856 . 1 1 10 . CA C -4.710 6.111 0.555 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 CA . . . . . . . . . rr_2l2x 1
. 5 . 857 . 1 1 10 . CB C -4.835 7.527 0.400 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 CB . . . . . . . . . rr_2l2x 1
. 5 . 858 . 1 1 10 . HB H -5.223 8.212 1.141 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 HB . . . . . . . . . rr_2l2x 1
. 5 . 859 . 1 1 10 . N N -4.194 5.476 -0.523 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 N . . . . . . . . . rr_2l2x 1
. 5 . 860 . 1 1 10 . O O -5.584 5.981 2.759 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 O . . . . . . . . . rr_2l2x 1
. 5 . 861 . 1 1 10 . SG S -4.276 7.951 -1.131 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 SG . . . . . . . . . rr_2l2x 1
. 5 . 862 . 1 1 11 . C C -4.000 3.040 3.712 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2x 1
. 5 . 863 . 1 1 11 . CA C -5.232 3.235 2.826 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2x 1
. 5 . 864 . 1 1 11 . CB C -5.792 1.865 2.306 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2x 1
. 5 . 865 . 1 1 11 . CD1 C -7.601 1.019 0.618 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2x 1
. 5 . 866 . 1 1 11 . CG1 C -7.065 2.179 1.447 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2x 1
. 5 . 867 . 1 1 11 . CG2 C -6.136 0.961 3.449 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2x 1
. 5 . 868 . 1 1 11 . H H -4.514 3.727 0.897 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2x 1
. 5 . 869 . 1 1 11 . HA H -6.003 3.725 3.403 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2x 1
. 5 . 870 . 1 1 11 . HD11 H -6.957 0.861 -0.235 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2x 1
. 5 . 871 . 1 1 11 . HD12 H -8.599 1.251 0.277 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2x 1
. 5 . 872 . 1 1 11 . HD13 H -7.626 0.123 1.220 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2x 1
. 5 . 873 . 1 1 11 . HD2 H -8.445 3.444 2.076 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2x 1
. 5 . 874 . 1 1 11 . HG1 H -6.847 2.993 0.775 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2x 1
. 5 . 875 . 1 1 11 . HG21 H -5.232 0.666 3.961 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2x 1
. 5 . 876 . 1 1 11 . HG22 H -6.639 0.083 3.077 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2x 1
. 5 . 877 . 1 1 11 . HG23 H -6.784 1.483 4.138 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2x 1
. 5 . 878 . 1 1 11 . HG3 H -4.297 0.634 2.010 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2x 1
. 5 . 879 . 1 1 11 . N N -4.901 4.114 1.710 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2x 1
. 5 . 880 . 1 1 11 . OD2 O -8.076 2.608 2.370 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2x 1
. 5 . 881 . 1 1 11 . OG3 O -4.817 1.246 1.485 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2x 1
. 5 . 882 . 1 1 12 . C C -0.639 1.933 4.198 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2x 1
. 5 . 883 . 1 1 12 . CA C -1.978 2.473 4.339 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2x 1
. 5 . 884 . 1 1 12 . CB C -2.449 3.021 5.573 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2x 1
. 5 . 885 . 1 1 12 . HB H -1.884 3.086 6.491 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2x 1
. 5 . 886 . 1 1 12 . N N -2.882 2.508 3.333 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2x 1
. 5 . 887 . 1 1 12 . O O 0.190 1.887 5.106 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2x 1
. 5 . 888 . 1 1 12 . SG S -4.033 3.547 5.355 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2x 1
. 5 . 889 . 1 1 13 THR C C 1.487 1.638 1.393 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2x 1
. 5 . 890 . 1 1 13 THR CA C 0.918 0.924 2.617 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2x 1
. 5 . 891 . 1 1 13 THR CB C 0.831 -0.597 2.381 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2x 1
. 5 . 892 . 1 1 13 THR CG2 C 0.425 -1.328 3.650 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2x 1
. 5 . 893 . 1 1 13 THR H H -1.087 1.528 2.289 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2x 1
. 5 . 894 . 1 1 13 THR HA H 1.582 1.087 3.453 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2x 1
. 5 . 895 . 1 1 13 THR HB H 1.793 -0.969 2.053 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2x 1
. 5 . 896 . 1 1 13 THR HG21 H 0.378 -2.389 3.455 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2x 1
. 5 . 897 . 1 1 13 THR HG22 H -0.545 -0.979 3.972 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2x 1
. 5 . 898 . 1 1 13 THR HG23 H 1.153 -1.137 4.425 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2x 1
. 5 . 899 . 1 1 13 THR N N -0.385 1.483 2.970 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2x 1
. 5 . 900 . 1 1 13 THR OG1 O -0.213 -0.901 1.372 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2x 1
. 5 . 901 . 1 1 14 . C C 4.116 1.947 -1.032 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2x 1
. 5 . 902 . 1 1 14 . CA C 2.855 2.143 -0.241 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2x 1
. 5 . 903 . 1 1 14 . CB C 1.842 3.122 -0.487 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2x 1
. 5 . 904 . 1 1 14 . HB H 1.850 3.853 -1.282 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2x 1
. 5 . 905 . 1 1 14 . N N 2.607 1.342 0.818 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2x 1
. 5 . 906 . 1 1 14 . SG S 0.631 2.942 0.671 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2x 1
. 5 . 907 . 1 1 15 . C C 7.300 1.712 0.888 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2x 1
. 5 . 908 . 1 1 15 . CA C 6.300 1.483 -0.177 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2x 1
. 5 . 909 . 1 1 15 . CB C 6.687 0.579 -1.269 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2x 1
. 5 . 910 . 1 1 15 . HB2 H 6.799 -0.419 -0.877 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2x 1
. 5 . 911 . 1 1 15 . HB3 H 7.631 0.902 -1.687 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2x 1
. 5 . 912 . 1 1 15 . N N 5.184 2.105 -0.030 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2x 1
. 5 . 913 . 1 1 16 . C C 10.532 1.084 2.250 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2x 1
. 5 . 914 . 1 1 16 . CA C 9.184 1.546 1.986 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2x 1
. 5 . 915 . 1 1 16 . CB C 8.494 2.443 2.860 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2x 1
. 5 . 916 . 1 1 16 . HB H 8.887 2.859 3.777 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2x 1
. 5 . 917 . 1 1 16 . N N 8.472 1.169 0.900 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2x 1
. 5 . 918 . 1 1 16 . O O 11.196 1.412 3.233 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2x 1
. 5 . 919 . 1 1 16 . SG S 6.963 2.744 2.222 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2x 1
. 5 . 920 . 1 1 17 DHA C C 12.498 -1.189 0.054 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2x 1
. 5 . 921 . 1 1 17 DHA CA C 12.302 -0.402 1.266 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2x 1
. 5 . 922 . 1 1 17 DHA CB C 13.235 -0.320 2.208 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2x 1
. 5 . 923 . 1 1 17 DHA H H 10.377 0.089 0.550 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2x 1
. 5 . 924 . 1 1 17 DHA HB1 H 13.060 0.272 3.092 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2x 1
. 5 . 925 . 1 1 17 DHA HB2 H 14.170 -0.842 2.094 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2x 1
. 5 . 926 . 1 1 17 DHA N N 10.985 0.262 1.300 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2x 1
. 5 . 927 . 1 1 17 DHA O O 11.576 -1.202 -0.761 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2x 1
. 5 . 928 . 1 1 18 NH2 HN1 H 13.745 -2.380 -0.962 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . rr_2l2x 1
. 5 . 929 . 1 1 18 NH2 HN2 H 14.340 -1.819 0.532 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . rr_2l2x 1
. 5 . 930 . 1 1 18 NH2 N N 13.634 -1.856 -0.141 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . rr_2l2x 1
. 6 . 931 . 1 1 1 QUA C10 C -3.098 -2.407 -2.347 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2x 1
. 6 . 932 . 1 1 1 QUA C11 C 0.134 -1.220 0.129 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2x 1
. 6 . 933 . 1 1 1 QUA C13 C -1.517 -2.775 -4.320 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2x 1
. 6 . 934 . 1 1 1 QUA C14 C -1.442 -4.291 -4.445 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2x 1
. 6 . 935 . 1 1 1 QUA C2 C -1.024 -1.634 -0.725 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2x 1
. 6 . 936 . 1 1 1 QUA C3 C -0.747 -1.987 -2.041 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2x 1
. 6 . 937 . 1 1 1 QUA C4 C -1.797 -2.381 -2.870 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2x 1
. 6 . 938 . 1 1 1 QUA C5 C -4.267 -2.809 -3.146 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2x 1
. 6 . 939 . 1 1 1 QUA C6 C -5.397 -3.129 -2.590 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2x 1
. 6 . 940 . 1 1 1 QUA C7 C -5.588 -3.115 -1.069 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2x 1
. 6 . 941 . 1 1 1 QUA C8 C -4.672 -2.050 -0.403 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2x 1
. 6 . 942 . 1 1 1 QUA C9 C -3.278 -2.038 -1.022 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2x 1
. 6 . 943 . 1 1 1 QUA H13 H -2.317 -2.423 -4.951 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2x 1
. 6 . 944 . 1 1 1 QUA H141 H -0.679 -4.670 -3.782 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2x 1
. 6 . 945 . 1 1 1 QUA H142 H -1.197 -4.556 -5.463 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2x 1
. 6 . 946 . 1 1 1 QUA H143 H -2.396 -4.722 -4.180 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2x 1
. 6 . 947 . 1 1 1 QUA H15 H 0.382 -2.886 -4.845 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2x 1
. 6 . 948 . 1 1 1 QUA H16 H -6.015 -0.814 -1.151 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2x 1
. 6 . 949 . 1 1 1 QUA HC3 H 0.266 -1.958 -2.415 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2x 1
. 6 . 950 . 1 1 1 QUA HC5 H -4.188 -2.838 -4.221 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2x 1
. 6 . 951 . 1 1 1 QUA HC6 H -6.226 -3.417 -3.220 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2x 1
. 6 . 952 . 1 1 1 QUA HC71 H -6.615 -2.887 -0.836 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2x 1
. 6 . 953 . 1 1 1 QUA HC8 H -4.594 -2.284 0.648 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2x 1
. 6 . 954 . 1 1 1 QUA N1 N -2.274 -1.650 -0.191 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2x 1
. 6 . 955 . 1 1 1 QUA O12 O 1.293 -1.171 -0.284 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2x 1
. 6 . 956 . 1 1 1 QUA O15 O -0.288 -2.201 -4.782 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2x 1
. 6 . 957 . 1 1 1 QUA O16 O -5.283 -0.762 -0.531 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2x 1
. 6 . 958 . 1 1 2 ILE C C -4.457 -5.080 1.685 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2x 1
. 6 . 959 . 1 1 2 ILE CA C -5.672 -4.725 0.832 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2x 1
. 6 . 960 . 1 1 2 ILE CB C -6.721 -5.849 0.951 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2x 1
. 6 . 961 . 1 1 2 ILE CD1 C -7.140 -8.304 0.385 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2x 1
. 6 . 962 . 1 1 2 ILE CG1 C -6.290 -7.074 0.136 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2x 1
. 6 . 963 . 1 1 2 ILE CG2 C -8.083 -5.345 0.491 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2x 1
. 6 . 964 . 1 1 2 ILE H H -4.324 -4.670 -0.695 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2x 1
. 6 . 965 . 1 1 2 ILE HA H -6.109 -3.811 1.212 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2x 1
. 6 . 966 . 1 1 2 ILE HB H -6.802 -6.128 1.992 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2x 1
. 6 . 967 . 1 1 2 ILE HD11 H -7.146 -8.528 1.441 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2x 1
. 6 . 968 . 1 1 2 ILE HD12 H -6.728 -9.140 -0.159 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2x 1
. 6 . 969 . 1 1 2 ILE HD13 H -8.150 -8.118 0.050 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2x 1
. 6 . 970 . 1 1 2 ILE HG12 H -6.354 -6.838 -0.915 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2x 1
. 6 . 971 . 1 1 2 ILE HG13 H -5.269 -7.323 0.383 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2x 1
. 6 . 972 . 1 1 2 ILE HG21 H -8.350 -4.466 1.059 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2x 1
. 6 . 973 . 1 1 2 ILE HG22 H -8.825 -6.114 0.648 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2x 1
. 6 . 974 . 1 1 2 ILE HG23 H -8.038 -5.096 -0.558 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2x 1
. 6 . 975 . 1 1 2 ILE N N -5.283 -4.496 -0.590 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2x 1
. 6 . 976 . 1 1 2 ILE O O -4.444 -4.849 2.895 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2x 1
. 6 . 977 . 1 1 3 ALA C C -1.048 -6.144 0.746 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2x 1
. 6 . 978 . 1 1 3 ALA CA C -2.207 -6.024 1.730 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2x 1
. 6 . 979 . 1 1 3 ALA CB C -2.402 -7.334 2.479 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2x 1
. 6 . 980 . 1 1 3 ALA H H -3.514 -5.809 0.080 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2x 1
. 6 . 981 . 1 1 3 ALA HA H -1.976 -5.254 2.452 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2x 1
. 6 . 982 . 1 1 3 ALA HB1 H -1.491 -7.587 3.003 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2x 1
. 6 . 983 . 1 1 3 ALA HB2 H -2.643 -8.118 1.777 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2x 1
. 6 . 984 . 1 1 3 ALA HB3 H -3.207 -7.227 3.190 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2x 1
. 6 . 985 . 1 1 3 ALA N N -3.438 -5.645 1.043 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2x 1
. 6 . 986 . 1 1 3 ALA O O -1.050 -7.021 -0.116 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2x 1
. 6 . 987 . 1 1 4 DHA C C 2.035 -4.074 0.488 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2x 1
. 6 . 988 . 1 1 4 DHA CA C 1.138 -5.128 0.045 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2x 1
. 6 . 989 . 1 1 4 DHA CB C 1.420 -5.864 -1.019 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2x 1
. 6 . 990 . 1 1 4 DHA H H -0.152 -4.626 1.639 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2x 1
. 6 . 991 . 1 1 4 DHA HB1 H 0.744 -6.641 -1.338 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2x 1
. 6 . 992 . 1 1 4 DHA HB2 H 2.330 -5.685 -1.571 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2x 1
. 6 . 993 . 1 1 4 DHA N N -0.064 -5.254 0.892 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2x 1
. 6 . 994 . 1 1 4 DHA O O 1.703 -3.434 1.486 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2x 1
. 6 . 995 . 1 1 5 ALA C C 4.233 -1.779 -0.991 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2x 1
. 6 . 996 . 1 1 5 ALA CA C 4.060 -2.749 0.173 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2x 1
. 6 . 997 . 1 1 5 ALA CB C 5.408 -3.306 0.605 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2x 1
. 6 . 998 . 1 1 5 ALA H H 3.383 -4.409 -0.952 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2x 1
. 6 . 999 . 1 1 5 ALA HA H 3.631 -2.218 1.009 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2x 1
. 6 . 1000 . 1 1 5 ALA HB1 H 5.275 -3.943 1.466 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2x 1
. 6 . 1001 . 1 1 5 ALA HB2 H 6.071 -2.491 0.859 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2x 1
. 6 . 1002 . 1 1 5 ALA HB3 H 5.837 -3.879 -0.204 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2x 1
. 6 . 1003 . 1 1 5 ALA N N 3.156 -3.837 -0.189 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2x 1
. 6 . 1004 . 1 1 5 ALA O O 4.523 -2.193 -2.114 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2x 1
. 6 . 1005 . 1 1 6 SER C C 3.157 0.443 -2.802 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2x 1
. 6 . 1006 . 1 1 6 SER CA C 4.191 0.570 -1.781 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2x 1
. 6 . 1007 . 1 1 6 SER CB C 5.625 0.555 -2.382 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2x 1
. 6 . 1008 . 1 1 6 SER H H 3.825 -0.223 0.202 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2x 1
. 6 . 1009 . 1 1 6 SER HB2 H 5.774 -0.350 -2.951 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2x 1
. 6 . 1010 . 1 1 6 SER HB3 H 5.755 1.411 -3.027 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2x 1
. 6 . 1011 . 1 1 6 SER N N 4.051 -0.485 -0.714 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2x 1
. 6 . 1012 . 1 1 7 . C C -0.129 1.064 -4.066 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2x 1
. 6 . 1013 . 1 1 7 . CA C 1.241 0.636 -3.869 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2x 1
. 6 . 1014 . 1 1 7 . CB C 1.950 -0.136 -4.836 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2x 1
. 6 . 1015 . 1 1 7 . HB H 1.559 -0.472 -5.784 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2x 1
. 6 . 1016 . 1 1 7 . N N 1.956 0.930 -2.760 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2x 1
. 6 . 1017 . 1 1 7 . O O -0.805 0.803 -5.063 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2x 1
. 6 . 1018 . 1 1 7 . SG S 3.498 -0.432 -4.249 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2x 1
. 6 . 1019 . 1 1 8 THR C C -1.943 3.822 -2.720 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2x 1
. 6 . 1020 . 1 1 8 THR CA C -1.948 2.331 -3.048 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2x 1
. 6 . 1021 . 1 1 8 THR CB C -2.851 1.588 -2.041 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2x 1
. 6 . 1022 . 1 1 8 THR CG2 C -2.250 1.610 -0.644 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2x 1
. 6 . 1023 . 1 1 8 THR H H -0.005 1.966 -2.284 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2x 1
. 6 . 1024 . 1 1 8 THR HA H -2.363 2.196 -4.036 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2x 1
. 6 . 1025 . 1 1 8 THR HB H -2.945 0.559 -2.358 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2x 1
. 6 . 1026 . 1 1 8 THR HG1 H -4.373 2.435 -1.112 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2x 1
. 6 . 1027 . 1 1 8 THR HG21 H -2.276 2.617 -0.255 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2x 1
. 6 . 1028 . 1 1 8 THR HG22 H -1.227 1.268 -0.688 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2x 1
. 6 . 1029 . 1 1 8 THR HG23 H -2.818 0.959 0.004 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2x 1
. 6 . 1030 . 1 1 8 THR N N -0.593 1.789 -3.050 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2x 1
. 6 . 1031 . 1 1 8 THR O O -0.937 4.362 -2.260 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2x 1
. 6 . 1032 . 1 1 8 THR OG1 O -4.153 2.186 -2.013 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2x 1
. 6 . 1033 . 1 1 9 DBU C C -3.827 6.335 -1.469 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2x 1
. 6 . 1034 . 1 1 9 DBU CA C -3.265 5.922 -2.779 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2x 1
. 6 . 1035 . 1 1 9 DBU CB C -2.968 6.833 -3.699 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2x 1
. 6 . 1036 . 1 1 9 DBU CG C -2.385 6.472 -5.073 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2x 1
. 6 . 1037 . 1 1 9 DBU HG1 H -1.443 5.957 -4.941 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2x 1
. 6 . 1038 . 1 1 9 DBU HG2 H -2.223 7.373 -5.645 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2x 1
. 6 . 1039 . 1 1 9 DBU HG3 H -3.076 5.830 -5.600 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2x 1
. 6 . 1040 . 1 1 9 DBU N N -3.074 4.480 -2.958 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2x 1
. 6 . 1041 . 1 1 10 . C C -5.036 5.459 1.775 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 C . . . . . . . . . rr_2l2x 1
. 6 . 1042 . 1 1 10 . CA C -4.619 6.142 0.564 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 CA . . . . . . . . . rr_2l2x 1
. 6 . 1043 . 1 1 10 . CB C -4.699 7.564 0.426 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 CB . . . . . . . . . rr_2l2x 1
. 6 . 1044 . 1 1 10 . HB H -5.062 8.251 1.176 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 HB . . . . . . . . . rr_2l2x 1
. 6 . 1045 . 1 1 10 . N N -4.125 5.504 -0.524 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 N . . . . . . . . . rr_2l2x 1
. 6 . 1046 . 1 1 10 . O O -5.476 6.024 2.776 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 O . . . . . . . . . rr_2l2x 1
. 6 . 1047 . 1 1 10 . SG S -4.130 7.987 -1.102 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 SG . . . . . . . . . rr_2l2x 1
. 6 . 1048 . 1 1 11 . C C -3.977 3.108 3.715 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2x 1
. 6 . 1049 . 1 1 11 . CA C -5.216 3.271 2.833 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2x 1
. 6 . 1050 . 1 1 11 . CB C -5.757 1.882 2.340 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2x 1
. 6 . 1051 . 1 1 11 . CD1 C -7.617 0.963 0.748 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2x 1
. 6 . 1052 . 1 1 11 . CG1 C -7.071 2.152 1.528 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2x 1
. 6 . 1053 . 1 1 11 . CG2 C -6.031 0.974 3.500 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2x 1
. 6 . 1054 . 1 1 11 . H H -4.577 3.735 0.865 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2x 1
. 6 . 1055 . 1 1 11 . HA H -5.991 3.761 3.405 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2x 1
. 6 . 1056 . 1 1 11 . HD11 H -7.673 0.099 1.395 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2x 1
. 6 . 1057 . 1 1 11 . HD12 H -6.966 0.749 -0.084 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2x 1
. 6 . 1058 . 1 1 11 . HD13 H -8.604 1.199 0.380 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2x 1
. 6 . 1059 . 1 1 11 . HD2 H -8.876 2.774 2.030 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2x 1
. 6 . 1060 . 1 1 11 . HG1 H -6.895 2.954 0.829 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2x 1
. 6 . 1061 . 1 1 11 . HG21 H -6.528 0.082 3.152 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2x 1
. 6 . 1062 . 1 1 11 . HG22 H -6.663 1.483 4.214 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2x 1
. 6 . 1063 . 1 1 11 . HG23 H -5.100 0.702 3.975 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2x 1
. 6 . 1064 . 1 1 11 . HG3 H -5.092 1.349 0.578 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2x 1
. 6 . 1065 . 1 1 11 . N N -4.898 4.137 1.700 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2x 1
. 6 . 1066 . 1 1 11 . OD2 O -8.051 2.584 2.481 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2x 1
. 6 . 1067 . 1 1 11 . OG3 O -4.797 1.285 1.489 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2x 1
. 6 . 1068 . 1 1 12 . C C -0.623 1.993 4.204 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2x 1
. 6 . 1069 . 1 1 12 . CA C -1.953 2.552 4.342 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2x 1
. 6 . 1070 . 1 1 12 . CB C -2.405 3.157 5.557 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2x 1
. 6 . 1071 . 1 1 12 . HB H -1.828 3.258 6.464 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2x 1
. 6 . 1072 . 1 1 12 . N N -2.868 2.550 3.348 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2x 1
. 6 . 1073 . 1 1 12 . O O 0.227 1.989 5.096 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2x 1
. 6 . 1074 . 1 1 12 . SG S -3.987 3.687 5.334 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2x 1
. 6 . 1075 . 1 1 13 THR C C 1.455 1.608 1.410 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2x 1
. 6 . 1076 . 1 1 13 THR CA C 0.887 0.893 2.633 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2x 1
. 6 . 1077 . 1 1 13 THR CB C 0.782 -0.627 2.387 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2x 1
. 6 . 1078 . 1 1 13 THR CG2 C 0.358 -1.358 3.652 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2x 1
. 6 . 1079 . 1 1 13 THR H H -1.131 1.469 2.340 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2x 1
. 6 . 1080 . 1 1 13 THR HA H 1.560 1.043 3.465 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2x 1
. 6 . 1081 . 1 1 13 THR HB H 1.741 -1.010 2.067 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2x 1
. 6 . 1082 . 1 1 13 THR HG21 H 1.087 -1.183 4.429 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2x 1
. 6 . 1083 . 1 1 13 THR HG22 H 0.293 -2.417 3.451 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2x 1
. 6 . 1084 . 1 1 13 THR HG23 H -0.606 -0.992 3.973 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2x 1
. 6 . 1085 . 1 1 13 THR N N -0.405 1.468 2.999 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2x 1
. 6 . 1086 . 1 1 13 THR OG1 O -0.257 -0.918 1.366 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2x 1
. 6 . 1087 . 1 1 14 . C C 4.084 1.938 -1.016 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2x 1
. 6 . 1088 . 1 1 14 . CA C 2.820 2.123 -0.224 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2x 1
. 6 . 1089 . 1 1 14 . CB C 1.799 3.095 -0.470 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2x 1
. 6 . 1090 . 1 1 14 . HB H 1.803 3.826 -1.265 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2x 1
. 6 . 1091 . 1 1 14 . N N 2.578 1.321 0.837 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2x 1
. 6 . 1092 . 1 1 14 . SG S 0.589 2.906 0.687 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2x 1
. 6 . 1093 . 1 1 15 . C C 7.281 1.738 0.883 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2x 1
. 6 . 1094 . 1 1 15 . CA C 6.277 1.503 -0.175 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2x 1
. 6 . 1095 . 1 1 15 . CB C 6.670 0.608 -1.273 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2x 1
. 6 . 1096 . 1 1 15 . HB2 H 6.806 -0.389 -0.883 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2x 1
. 6 . 1097 . 1 1 15 . HB3 H 7.602 0.949 -1.700 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2x 1
. 6 . 1098 . 1 1 15 . N N 5.152 2.108 -0.018 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2x 1
. 6 . 1099 . 1 1 16 . C C 10.529 1.161 2.213 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2x 1
. 6 . 1100 . 1 1 16 . CA C 9.176 1.594 1.958 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2x 1
. 6 . 1101 . 1 1 16 . CB C 8.485 2.469 2.846 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2x 1
. 6 . 1102 . 1 1 16 . HB H 8.889 2.877 3.760 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2x 1
. 6 . 1103 . 1 1 16 . N N 8.460 1.215 0.877 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2x 1
. 6 . 1104 . 1 1 16 . O O 11.184 1.494 3.199 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2x 1
. 6 . 1105 . 1 1 16 . SG S 6.943 2.753 2.230 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2x 1
. 6 . 1106 . 1 1 17 DHA C C 12.573 -1.055 0.037 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2x 1
. 6 . 1107 . 1 1 17 DHA CA C 12.347 -0.232 1.211 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2x 1
. 6 . 1108 . 1 1 17 DHA CB C 13.296 -0.065 2.119 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2x 1
. 6 . 1109 . 1 1 17 DHA H H 10.392 0.153 0.518 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2x 1
. 6 . 1110 . 1 1 17 DHA HB1 H 13.119 0.546 2.984 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2x 1
. 6 . 1111 . 1 1 17 DHA HB2 H 14.249 -0.545 1.991 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2x 1
. 6 . 1112 . 1 1 17 DHA N N 11.002 0.362 1.257 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2x 1
. 6 . 1113 . 1 1 17 DHA O O 11.649 -1.167 -0.769 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2x 1
. 6 . 1114 . 1 1 18 NH2 HN1 H 13.905 -2.203 -0.916 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . rr_2l2x 1
. 6 . 1115 . 1 1 18 NH2 HN2 H 14.447 -1.519 0.553 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . rr_2l2x 1
. 6 . 1116 . 1 1 18 NH2 N N 13.749 -1.647 -0.124 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . rr_2l2x 1
. 7 . 1117 . 1 1 1 QUA C10 C -3.083 -2.394 -2.284 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2x 1
. 7 . 1118 . 1 1 1 QUA C11 C 0.171 -1.198 0.155 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2x 1
. 7 . 1119 . 1 1 1 QUA C13 C -1.517 -2.770 -4.270 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2x 1
. 7 . 1120 . 1 1 1 QUA C14 C -1.477 -4.287 -4.394 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2x 1
. 7 . 1121 . 1 1 1 QUA C2 C -0.994 -1.615 -0.686 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2x 1
. 7 . 1122 . 1 1 1 QUA C3 C -0.729 -1.974 -2.000 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2x 1
. 7 . 1123 . 1 1 1 QUA C4 C -1.786 -2.371 -2.820 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2x 1
. 7 . 1124 . 1 1 1 QUA C5 C -4.259 -2.799 -3.072 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2x 1
. 7 . 1125 . 1 1 1 QUA C6 C -5.383 -3.117 -2.508 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2x 1
. 7 . 1126 . 1 1 1 QUA C7 C -5.564 -3.096 -0.985 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2x 1
. 7 . 1127 . 1 1 1 QUA C8 C -4.640 -2.032 -0.329 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2x 1
. 7 . 1128 . 1 1 1 QUA C9 C -3.252 -2.022 -0.960 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2x 1
. 7 . 1129 . 1 1 1 QUA H13 H -2.310 -2.399 -4.900 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2x 1
. 7 . 1130 . 1 1 1 QUA H141 H -0.709 -4.682 -3.745 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2x 1
. 7 . 1131 . 1 1 1 QUA H142 H -1.259 -4.559 -5.416 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2x 1
. 7 . 1132 . 1 1 1 QUA H143 H -2.435 -4.698 -4.109 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2x 1
. 7 . 1133 . 1 1 1 QUA H15 H -0.305 -2.123 -5.687 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2x 1
. 7 . 1134 . 1 1 1 QUA H16 H -4.755 -0.211 -1.080 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2x 1
. 7 . 1135 . 1 1 1 QUA HC3 H 0.280 -1.944 -2.383 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2x 1
. 7 . 1136 . 1 1 1 QUA HC5 H -4.186 -2.832 -4.149 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2x 1
. 7 . 1137 . 1 1 1 QUA HC6 H -6.218 -3.406 -3.130 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2x 1
. 7 . 1138 . 1 1 1 QUA HC71 H -6.590 -2.864 -0.746 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2x 1
. 7 . 1139 . 1 1 1 QUA HC8 H -4.552 -2.266 0.722 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2x 1
. 7 . 1140 . 1 1 1 QUA N1 N -2.239 -1.630 -0.139 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2x 1
. 7 . 1141 . 1 1 1 QUA O12 O 1.323 -1.137 -0.276 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2x 1
. 7 . 1142 . 1 1 1 QUA O15 O -0.275 -2.227 -4.732 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2x 1
. 7 . 1143 . 1 1 1 QUA O16 O -5.251 -0.743 -0.452 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2x 1
. 7 . 1144 . 1 1 2 ILE C C -4.439 -5.100 1.760 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2x 1
. 7 . 1145 . 1 1 2 ILE CA C -5.649 -4.705 0.918 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2x 1
. 7 . 1146 . 1 1 2 ILE CB C -6.736 -5.796 1.037 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2x 1
. 7 . 1147 . 1 1 2 ILE CD1 C -7.261 -8.232 0.478 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2x 1
. 7 . 1148 . 1 1 2 ILE CG1 C -6.309 -7.068 0.293 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2x 1
. 7 . 1149 . 1 1 2 ILE CG2 C -8.060 -5.273 0.496 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2x 1
. 7 . 1150 . 1 1 2 ILE H H -4.303 -4.655 -0.610 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2x 1
. 7 . 1151 . 1 1 2 ILE HA H -6.054 -3.781 1.305 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2x 1
. 7 . 1152 . 1 1 2 ILE HB H -6.869 -6.026 2.083 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2x 1
. 7 . 1153 . 1 1 2 ILE HD11 H -6.817 -9.127 0.069 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2x 1
. 7 . 1154 . 1 1 2 ILE HD12 H -8.187 -8.024 -0.036 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2x 1
. 7 . 1155 . 1 1 2 ILE HD13 H -7.456 -8.374 1.531 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2x 1
. 7 . 1156 . 1 1 2 ILE HG12 H -6.250 -6.855 -0.763 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2x 1
. 7 . 1157 . 1 1 2 ILE HG13 H -5.336 -7.377 0.647 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2x 1
. 7 . 1158 . 1 1 2 ILE HG21 H -8.846 -5.979 0.721 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2x 1
. 7 . 1159 . 1 1 2 ILE HG22 H -7.985 -5.147 -0.574 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2x 1
. 7 . 1160 . 1 1 2 ILE HG23 H -8.287 -4.323 0.956 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2x 1
. 7 . 1161 . 1 1 2 ILE N N -5.261 -4.478 -0.504 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2x 1
. 7 . 1162 . 1 1 2 ILE O O -4.417 -4.891 2.974 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2x 1
. 7 . 1163 . 1 1 3 ALA C C -1.050 -6.175 0.780 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2x 1
. 7 . 1164 . 1 1 3 ALA CA C -2.202 -6.074 1.774 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2x 1
. 7 . 1165 . 1 1 3 ALA CB C -2.401 -7.399 2.493 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2x 1
. 7 . 1166 . 1 1 3 ALA H H -3.524 -5.831 0.139 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2x 1
. 7 . 1167 . 1 1 3 ALA HA H -1.964 -5.322 2.511 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2x 1
. 7 . 1168 . 1 1 3 ALA HB1 H -3.197 -7.302 3.216 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2x 1
. 7 . 1169 . 1 1 3 ALA HB2 H -1.487 -7.675 2.999 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2x 1
. 7 . 1170 . 1 1 3 ALA HB3 H -2.658 -8.163 1.775 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2x 1
. 7 . 1171 . 1 1 3 ALA N N -3.434 -5.672 1.102 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2x 1
. 7 . 1172 . 1 1 3 ALA O O -1.048 -7.050 -0.086 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2x 1
. 7 . 1173 . 1 1 4 DHA C C 2.015 -4.074 0.498 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2x 1
. 7 . 1174 . 1 1 4 DHA CA C 1.117 -5.131 0.059 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2x 1
. 7 . 1175 . 1 1 4 DHA CB C 1.393 -5.859 -1.014 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2x 1
. 7 . 1176 . 1 1 4 DHA H H -0.160 -4.651 1.671 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2x 1
. 7 . 1177 . 1 1 4 DHA HB1 H 0.718 -6.639 -1.330 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2x 1
. 7 . 1178 . 1 1 4 DHA HB2 H 2.295 -5.672 -1.576 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2x 1
. 7 . 1179 . 1 1 4 DHA N N -0.073 -5.274 0.920 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2x 1
. 7 . 1180 . 1 1 4 DHA O O 1.693 -3.447 1.508 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2x 1
. 7 . 1181 . 1 1 5 ALA C C 4.216 -1.764 -0.999 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2x 1
. 7 . 1182 . 1 1 5 ALA CA C 4.027 -2.730 0.167 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2x 1
. 7 . 1183 . 1 1 5 ALA CB C 5.370 -3.288 0.613 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2x 1
. 7 . 1184 . 1 1 5 ALA H H 3.339 -4.375 -0.973 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2x 1
. 7 . 1185 . 1 1 5 ALA HA H 3.593 -2.194 0.998 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2x 1
. 7 . 1186 . 1 1 5 ALA HB1 H 5.219 -3.976 1.432 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2x 1
. 7 . 1187 . 1 1 5 ALA HB2 H 6.008 -2.478 0.936 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2x 1
. 7 . 1188 . 1 1 5 ALA HB3 H 5.835 -3.807 -0.212 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2x 1
. 7 . 1189 . 1 1 5 ALA N N 3.123 -3.819 -0.196 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2x 1
. 7 . 1190 . 1 1 5 ALA O O 4.511 -2.183 -2.117 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2x 1
. 7 . 1191 . 1 1 6 SER C C 3.161 0.469 -2.813 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2x 1
. 7 . 1192 . 1 1 6 SER CA C 4.197 0.585 -1.791 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2x 1
. 7 . 1193 . 1 1 6 SER CB C 5.631 0.552 -2.393 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2x 1
. 7 . 1194 . 1 1 6 SER H H 3.810 -0.205 0.190 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2x 1
. 7 . 1195 . 1 1 6 SER HB2 H 5.767 -0.350 -2.969 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2x 1
. 7 . 1196 . 1 1 6 SER HB3 H 5.775 1.412 -3.032 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2x 1
. 7 . 1197 . 1 1 6 SER N N 4.042 -0.469 -0.725 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2x 1
. 7 . 1198 . 1 1 7 . C C -0.109 1.146 -4.093 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2x 1
. 7 . 1199 . 1 1 7 . CA C 1.251 0.691 -3.885 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2x 1
. 7 . 1200 . 1 1 7 . CB C 1.943 -0.111 -4.838 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2x 1
. 7 . 1201 . 1 1 7 . HB H 1.546 -0.454 -5.783 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2x 1
. 7 . 1202 . 1 1 7 . N N 1.972 0.985 -2.779 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2x 1
. 7 . 1203 . 1 1 7 . O O -0.787 0.882 -5.086 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2x 1
. 7 . 1204 . 1 1 7 . SG S 3.484 -0.436 -4.245 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2x 1
. 7 . 1205 . 1 1 8 THR C C -1.918 3.930 -2.762 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2x 1
. 7 . 1206 . 1 1 8 THR CA C -1.917 2.439 -3.091 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2x 1
. 7 . 1207 . 1 1 8 THR CB C -2.822 1.693 -2.089 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2x 1
. 7 . 1208 . 1 1 8 THR CG2 C -2.214 1.692 -0.691 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2x 1
. 7 . 1209 . 1 1 8 THR H H 0.030 2.088 -2.333 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2x 1
. 7 . 1210 . 1 1 8 THR HA H -2.329 2.304 -4.080 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2x 1
. 7 . 1211 . 1 1 8 THR HB H -2.925 0.668 -2.417 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2x 1
. 7 . 1212 . 1 1 8 THR HG1 H -4.779 1.665 -2.335 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2x 1
. 7 . 1213 . 1 1 8 THR HG21 H -2.200 2.700 -0.303 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2x 1
. 7 . 1214 . 1 1 8 THR HG22 H -1.205 1.311 -0.738 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2x 1
. 7 . 1215 . 1 1 8 THR HG23 H -2.806 1.065 -0.043 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2x 1
. 7 . 1216 . 1 1 8 THR N N -0.561 1.896 -3.091 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2x 1
. 7 . 1217 . 1 1 8 THR O O -0.910 4.479 -2.317 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2x 1
. 7 . 1218 . 1 1 8 THR OG1 O -4.119 2.301 -2.049 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2x 1
. 7 . 1219 . 1 1 9 DBU C C -3.868 6.380 -1.465 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2x 1
. 7 . 1220 . 1 1 9 DBU CA C -3.271 6.014 -2.772 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2x 1
. 7 . 1221 . 1 1 9 DBU CB C -2.965 6.956 -3.658 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2x 1
. 7 . 1222 . 1 1 9 DBU CG C -2.346 6.644 -5.028 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2x 1
. 7 . 1223 . 1 1 9 DBU HG1 H -3.001 5.985 -5.579 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2x 1
. 7 . 1224 . 1 1 9 DBU HG2 H -1.387 6.166 -4.890 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2x 1
. 7 . 1225 . 1 1 9 DBU HG3 H -2.213 7.563 -5.580 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2x 1
. 7 . 1226 . 1 1 9 DBU N N -3.057 4.579 -2.986 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2x 1
. 7 . 1227 . 1 1 10 . C C -5.122 5.387 1.725 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 C . . . . . . . . . rr_2l2x 1
. 7 . 1228 . 1 1 10 . CA C -4.698 6.114 0.544 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 CA . . . . . . . . . rr_2l2x 1
. 7 . 1229 . 1 1 10 . CB C -4.812 7.537 0.440 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 CB . . . . . . . . . rr_2l2x 1
. 7 . 1230 . 1 1 10 . HB H -5.210 8.194 1.200 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 HB . . . . . . . . . rr_2l2x 1
. 7 . 1231 . 1 1 10 . N N -4.165 5.517 -0.548 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 N . . . . . . . . . rr_2l2x 1
. 7 . 1232 . 1 1 10 . O O -5.611 5.914 2.726 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 O . . . . . . . . . rr_2l2x 1
. 7 . 1233 . 1 1 10 . SG S -4.221 8.015 -1.062 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 SG . . . . . . . . . rr_2l2x 1
. 7 . 1234 . 1 1 11 . C C -4.051 2.981 3.633 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2x 1
. 7 . 1235 . 1 1 11 . CA C -5.267 3.168 2.720 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2x 1
. 7 . 1236 . 1 1 11 . CB C -5.789 1.796 2.166 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2x 1
. 7 . 1237 . 1 1 11 . CD1 C -7.634 0.942 0.519 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2x 1
. 7 . 1238 . 1 1 11 . CG1 C -7.125 2.081 1.393 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2x 1
. 7 . 1239 . 1 1 11 . CG2 C -6.025 0.823 3.281 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2x 1
. 7 . 1240 . 1 1 11 . H H -4.554 3.706 0.799 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2x 1
. 7 . 1241 . 1 1 11 . HA H -6.060 3.634 3.288 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2x 1
. 7 . 1242 . 1 1 11 . HD11 H -7.635 0.023 1.085 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2x 1
. 7 . 1243 . 1 1 11 . HD12 H -6.992 0.834 -0.342 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2x 1
. 7 . 1244 . 1 1 11 . HD13 H -8.639 1.164 0.193 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2x 1
. 7 . 1245 . 1 1 11 . HD2 H -8.982 2.369 1.995 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2x 1
. 7 . 1246 . 1 1 11 . HG1 H -6.992 2.947 0.764 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2x 1
. 7 . 1247 . 1 1 11 . HG21 H -5.078 0.481 3.667 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2x 1
. 7 . 1248 . 1 1 11 . HG22 H -6.587 -0.021 2.910 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2x 1
. 7 . 1249 . 1 1 11 . HG23 H -6.581 1.308 4.070 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2x 1
. 7 . 1250 . 1 1 11 . HG3 H -4.472 0.452 1.628 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2x 1
. 7 . 1251 . 1 1 11 . N N -4.929 4.074 1.626 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2x 1
. 7 . 1252 . 1 1 11 . OD2 O -8.107 2.388 2.391 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2x 1
. 7 . 1253 . 1 1 11 . OG3 O -4.834 1.264 1.267 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2x 1
. 7 . 1254 . 1 1 12 . C C -0.687 1.919 4.188 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2x 1
. 7 . 1255 . 1 1 12 . CA C -2.036 2.438 4.303 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2x 1
. 7 . 1256 . 1 1 12 . CB C -2.546 2.963 5.531 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2x 1
. 7 . 1257 . 1 1 12 . HB H -2.004 3.025 6.463 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2x 1
. 7 . 1258 . 1 1 12 . N N -2.916 2.472 3.275 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2x 1
. 7 . 1259 . 1 1 12 . O O 0.125 1.881 5.113 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2x 1
. 7 . 1260 . 1 1 12 . SG S -4.132 3.467 5.281 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2x 1
. 7 . 1261 . 1 1 13 THR C C 1.482 1.650 1.409 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2x 1
. 7 . 1262 . 1 1 13 THR CA C 0.910 0.934 2.630 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2x 1
. 7 . 1263 . 1 1 13 THR CB C 0.849 -0.589 2.396 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2x 1
. 7 . 1264 . 1 1 13 THR CG2 C 0.478 -1.327 3.671 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2x 1
. 7 . 1265 . 1 1 13 THR H H -1.097 1.513 2.271 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2x 1
. 7 . 1266 . 1 1 13 THR HA H 1.562 1.109 3.473 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2x 1
. 7 . 1267 . 1 1 13 THR HB H 1.812 -0.943 2.055 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2x 1
. 7 . 1268 . 1 1 13 THR HG21 H 1.199 -1.098 4.442 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2x 1
. 7 . 1269 . 1 1 13 THR HG22 H 0.476 -2.391 3.485 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2x 1
. 7 . 1270 . 1 1 13 THR HG23 H -0.505 -1.017 3.994 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2x 1
. 7 . 1271 . 1 1 13 THR N N -0.405 1.476 2.965 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2x 1
. 7 . 1272 . 1 1 13 THR OG1 O -0.203 -0.914 1.400 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2x 1
. 7 . 1273 . 1 1 14 . C C 4.110 1.953 -1.022 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2x 1
. 7 . 1274 . 1 1 14 . CA C 2.850 2.155 -0.227 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2x 1
. 7 . 1275 . 1 1 14 . CB C 1.843 3.142 -0.465 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2x 1
. 7 . 1276 . 1 1 14 . HB H 1.855 3.877 -1.256 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2x 1
. 7 . 1277 . 1 1 14 . N N 2.600 1.351 0.829 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2x 1
. 7 . 1278 . 1 1 14 . SG S 0.633 2.964 0.694 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2x 1
. 7 . 1279 . 1 1 15 . C C 7.308 1.696 0.872 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2x 1
. 7 . 1280 . 1 1 15 . CA C 6.298 1.480 -0.183 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2x 1
. 7 . 1281 . 1 1 15 . CB C 6.675 0.582 -1.284 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2x 1
. 7 . 1282 . 1 1 15 . HB2 H 6.793 -0.418 -0.897 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2x 1
. 7 . 1283 . 1 1 15 . HB3 H 7.615 0.907 -1.708 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2x 1
. 7 . 1284 . 1 1 15 . N N 5.183 2.103 -0.024 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2x 1
. 7 . 1285 . 1 1 16 . C C 10.553 1.064 2.179 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2x 1
. 7 . 1286 . 1 1 16 . CA C 9.204 1.517 1.936 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2x 1
. 7 . 1287 . 1 1 16 . CB C 8.529 2.393 2.836 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2x 1
. 7 . 1288 . 1 1 16 . HB H 8.942 2.787 3.752 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2x 1
. 7 . 1289 . 1 1 16 . N N 8.480 1.158 0.855 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2x 1
. 7 . 1290 . 1 1 16 . O O 11.219 1.377 3.165 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2x 1
. 7 . 1291 . 1 1 16 . SG S 6.987 2.701 2.230 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2x 1
. 7 . 1292 . 1 1 17 DHA C C 12.505 -1.266 0.044 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2x 1
. 7 . 1293 . 1 1 17 DHA CA C 12.347 -0.334 1.145 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2x 1
. 7 . 1294 . 1 1 17 DHA CB C 13.346 -0.084 1.976 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2x 1
. 7 . 1295 . 1 1 17 DHA H H 10.378 0.049 0.491 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2x 1
. 7 . 1296 . 1 1 17 DHA HB1 H 13.217 0.608 2.787 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2x 1
. 7 . 1297 . 1 1 17 DHA HB2 H 14.292 -0.574 1.839 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2x 1
. 7 . 1298 . 1 1 17 DHA N N 11.004 0.263 1.215 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2x 1
. 7 . 1299 . 1 1 17 DHA O O 11.536 -1.452 -0.692 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2x 1
. 7 . 1300 . 1 1 18 NH2 HN1 H 13.782 -2.504 -0.870 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . rr_2l2x 1
. 7 . 1301 . 1 1 18 NH2 HN2 H 14.407 -1.684 0.493 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . rr_2l2x 1
. 7 . 1302 . 1 1 18 NH2 N N 13.672 -1.875 -0.127 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . rr_2l2x 1
. 8 . 1303 . 1 1 1 QUA C10 C -3.028 -2.480 -2.352 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2x 1
. 8 . 1304 . 1 1 1 QUA C11 C 0.174 -1.194 0.113 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2x 1
. 8 . 1305 . 1 1 1 QUA C13 C -1.415 -2.934 -4.284 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2x 1
. 8 . 1306 . 1 1 1 QUA C14 C -1.329 -4.452 -4.337 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2x 1
. 8 . 1307 . 1 1 1 QUA C2 C -0.974 -1.640 -0.738 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2x 1
. 8 . 1308 . 1 1 1 QUA C3 C -0.680 -2.048 -2.031 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2x 1
. 8 . 1309 . 1 1 1 QUA C4 C -1.719 -2.477 -2.858 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2x 1
. 8 . 1310 . 1 1 1 QUA C5 C -4.187 -2.916 -3.148 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2x 1
. 8 . 1311 . 1 1 1 QUA C6 C -5.325 -3.211 -2.594 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2x 1
. 8 . 1312 . 1 1 1 QUA C7 C -5.537 -3.131 -1.078 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2x 1
. 8 . 1313 . 1 1 1 QUA C8 C -4.628 -2.039 -0.446 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2x 1
. 8 . 1314 . 1 1 1 QUA C9 C -3.226 -2.055 -1.047 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2x 1
. 8 . 1315 . 1 1 1 QUA H13 H -2.208 -2.616 -4.943 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2x 1
. 8 . 1316 . 1 1 1 QUA H141 H -2.273 -4.878 -4.031 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2x 1
. 8 . 1317 . 1 1 1 QUA H142 H -0.549 -4.792 -3.673 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2x 1
. 8 . 1318 . 1 1 1 QUA H143 H -1.104 -4.765 -5.347 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2x 1
. 8 . 1319 . 1 1 1 QUA H15 H 0.554 -2.863 -4.376 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2x 1
. 8 . 1320 . 1 1 1 QUA H16 H -6.061 -0.862 -1.119 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2x 1
. 8 . 1321 . 1 1 1 QUA HC3 H 0.338 -2.035 -2.393 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2x 1
. 8 . 1322 . 1 1 1 QUA HC5 H -4.094 -2.990 -4.220 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2x 1
. 8 . 1323 . 1 1 1 QUA HC6 H -6.147 -3.525 -3.221 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2x 1
. 8 . 1324 . 1 1 1 QUA HC71 H -6.567 -2.891 -0.868 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2x 1
. 8 . 1325 . 1 1 1 QUA HC8 H -4.563 -2.226 0.615 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2x 1
. 8 . 1326 . 1 1 1 QUA N1 N -2.231 -1.633 -0.219 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2x 1
. 8 . 1327 . 1 1 1 QUA O12 O 1.332 -1.135 -0.297 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2x 1
. 8 . 1328 . 1 1 1 QUA O15 O -0.181 -2.374 -4.753 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2x 1
. 8 . 1329 . 1 1 1 QUA O16 O -5.236 -0.756 -0.639 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2x 1
. 8 . 1330 . 1 1 2 ILE C C -4.386 -4.998 1.744 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2x 1
. 8 . 1331 . 1 1 2 ILE CA C -5.610 -4.650 0.902 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2x 1
. 8 . 1332 . 1 1 2 ILE CB C -6.683 -5.742 1.092 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2x 1
. 8 . 1333 . 1 1 2 ILE CD1 C -7.148 -8.212 0.656 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2x 1
. 8 . 1334 . 1 1 2 ILE CG1 C -6.314 -7.000 0.298 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2x 1
. 8 . 1335 . 1 1 2 ILE CG2 C -8.048 -5.217 0.667 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2x 1
. 8 . 1336 . 1 1 2 ILE H H -4.290 -4.687 -0.649 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2x 1
. 8 . 1337 . 1 1 2 ILE HA H -6.017 -3.709 1.249 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2x 1
. 8 . 1338 . 1 1 2 ILE HB H -6.732 -5.988 2.143 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2x 1
. 8 . 1339 . 1 1 2 ILE HD11 H -8.174 -8.043 0.363 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2x 1
. 8 . 1340 . 1 1 2 ILE HD12 H -7.102 -8.378 1.723 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2x 1
. 8 . 1341 . 1 1 2 ILE HD13 H -6.765 -9.079 0.139 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2x 1
. 8 . 1342 . 1 1 2 ILE HG12 H -6.452 -6.806 -0.754 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2x 1
. 8 . 1343 . 1 1 2 ILE HG13 H -5.279 -7.246 0.481 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2x 1
. 8 . 1344 . 1 1 2 ILE HG21 H -8.276 -4.315 1.217 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2x 1
. 8 . 1345 . 1 1 2 ILE HG22 H -8.802 -5.963 0.871 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2x 1
. 8 . 1346 . 1 1 2 ILE HG23 H -8.036 -4.998 -0.392 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2x 1
. 8 . 1347 . 1 1 2 ILE N N -5.244 -4.493 -0.536 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2x 1
. 8 . 1348 . 1 1 2 ILE O O -4.299 -4.630 2.915 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2x 1
. 8 . 1349 . 1 1 3 ALA C C -1.056 -6.199 0.812 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2x 1
. 8 . 1350 . 1 1 3 ALA CA C -2.206 -6.090 1.808 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2x 1
. 8 . 1351 . 1 1 3 ALA CB C -2.388 -7.403 2.553 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2x 1
. 8 . 1352 . 1 1 3 ALA H H -3.584 -5.991 0.205 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2x 1
. 8 . 1353 . 1 1 3 ALA HA H -1.970 -5.321 2.530 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2x 1
. 8 . 1354 . 1 1 3 ALA HB1 H -1.468 -7.662 3.056 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2x 1
. 8 . 1355 . 1 1 3 ALA HB2 H -2.646 -8.183 1.850 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2x 1
. 8 . 1356 . 1 1 3 ALA HB3 H -3.179 -7.298 3.281 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2x 1
. 8 . 1357 . 1 1 3 ALA N N -3.443 -5.711 1.133 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2x 1
. 8 . 1358 . 1 1 3 ALA O O -1.051 -7.082 -0.045 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2x 1
. 8 . 1359 . 1 1 4 DHA C C 1.986 -4.073 0.508 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2x 1
. 8 . 1360 . 1 1 4 DHA CA C 1.103 -5.145 0.079 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2x 1
. 8 . 1361 . 1 1 4 DHA CB C 1.386 -5.881 -0.987 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2x 1
. 8 . 1362 . 1 1 4 DHA H H -0.173 -4.663 1.690 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2x 1
. 8 . 1363 . 1 1 4 DHA HB1 H 0.720 -6.671 -1.294 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2x 1
. 8 . 1364 . 1 1 4 DHA HB2 H 2.286 -5.687 -1.551 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2x 1
. 8 . 1365 . 1 1 4 DHA N N -0.084 -5.291 0.943 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2x 1
. 8 . 1366 . 1 1 4 DHA O O 1.655 -3.438 1.510 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2x 1
. 8 . 1367 . 1 1 5 ALA C C 4.176 -1.755 -0.999 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2x 1
. 8 . 1368 . 1 1 5 ALA CA C 3.988 -2.714 0.173 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2x 1
. 8 . 1369 . 1 1 5 ALA CB C 5.333 -3.260 0.630 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2x 1
. 8 . 1370 . 1 1 5 ALA H H 3.314 -4.371 -0.959 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2x 1
. 8 . 1371 . 1 1 5 ALA HA H 3.545 -2.175 0.998 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2x 1
. 8 . 1372 . 1 1 5 ALA HB1 H 5.957 -2.445 0.964 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2x 1
. 8 . 1373 . 1 1 5 ALA HB2 H 5.813 -3.768 -0.192 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2x 1
. 8 . 1374 . 1 1 5 ALA HB3 H 5.182 -3.954 1.445 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2x 1
. 8 . 1375 . 1 1 5 ALA N N 3.094 -3.812 -0.186 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2x 1
. 8 . 1376 . 1 1 5 ALA O O 4.464 -2.182 -2.118 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2x 1
. 8 . 1377 . 1 1 6 SER C C 3.136 0.478 -2.824 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2x 1
. 8 . 1378 . 1 1 6 SER CA C 4.171 0.592 -1.802 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2x 1
. 8 . 1379 . 1 1 6 SER CB C 5.607 0.551 -2.400 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2x 1
. 8 . 1380 . 1 1 6 SER H H 3.778 -0.187 0.182 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2x 1
. 8 . 1381 . 1 1 6 SER HB2 H 5.739 -0.354 -2.972 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2x 1
. 8 . 1382 . 1 1 6 SER HB3 H 5.756 1.408 -3.039 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2x 1
. 8 . 1383 . 1 1 6 SER N N 4.010 -0.457 -0.731 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2x 1
. 8 . 1384 . 1 1 7 . C C -0.137 1.152 -4.094 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2x 1
. 8 . 1385 . 1 1 7 . CA C 1.224 0.699 -3.892 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2x 1
. 8 . 1386 . 1 1 7 . CB C 1.917 -0.094 -4.853 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2x 1
. 8 . 1387 . 1 1 7 . HB H 1.521 -0.430 -5.799 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2x 1
. 8 . 1388 . 1 1 7 . N N 1.945 0.988 -2.786 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2x 1
. 8 . 1389 . 1 1 7 . O O -0.815 0.904 -5.092 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2x 1
. 8 . 1390 . 1 1 7 . SG S 3.460 -0.417 -4.263 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2x 1
. 8 . 1391 . 1 1 8 THR C C -1.941 3.914 -2.723 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2x 1
. 8 . 1392 . 1 1 8 THR CA C -1.947 2.425 -3.062 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2x 1
. 8 . 1393 . 1 1 8 THR CB C -2.846 1.675 -2.058 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2x 1
. 8 . 1394 . 1 1 8 THR CG2 C -2.231 1.670 -0.665 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2x 1
. 8 . 1395 . 1 1 8 THR H H -0.001 2.052 -2.311 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2x 1
. 8 . 1396 . 1 1 8 THR HA H -2.366 2.298 -4.049 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2x 1
. 8 . 1397 . 1 1 8 THR HB H -2.951 0.651 -2.389 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2x 1
. 8 . 1398 . 1 1 8 THR HG1 H -4.782 1.647 -1.678 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2x 1
. 8 . 1399 . 1 1 8 THR HG21 H -2.216 2.676 -0.273 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2x 1
. 8 . 1400 . 1 1 8 THR HG22 H -1.220 1.291 -0.719 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2x 1
. 8 . 1401 . 1 1 8 THR HG23 H -2.817 1.038 -0.014 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2x 1
. 8 . 1402 . 1 1 8 THR N N -0.592 1.879 -3.074 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2x 1
. 8 . 1403 . 1 1 8 THR O O -0.926 4.455 -2.282 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2x 1
. 8 . 1404 . 1 1 8 THR OG1 O -4.142 2.282 -2.009 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2x 1
. 8 . 1405 . 1 1 9 DBU C C -3.839 6.395 -1.406 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2x 1
. 8 . 1406 . 1 1 9 DBU CA C -3.277 6.010 -2.723 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2x 1
. 8 . 1407 . 1 1 9 DBU CB C -2.988 6.941 -3.626 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2x 1
. 8 . 1408 . 1 1 9 DBU CG C -2.405 6.615 -5.008 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2x 1
. 8 . 1409 . 1 1 9 DBU HG1 H -1.462 6.103 -4.889 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2x 1
. 8 . 1410 . 1 1 9 DBU HG2 H -2.251 7.531 -5.560 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2x 1
. 8 . 1411 . 1 1 9 DBU HG3 H -3.093 5.982 -5.548 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2x 1
. 8 . 1412 . 1 1 9 DBU N N -3.079 4.570 -2.930 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2x 1
. 8 . 1413 . 1 1 10 . C C -5.068 5.445 1.805 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 C . . . . . . . . . rr_2l2x 1
. 8 . 1414 . 1 1 10 . CA C -4.641 6.157 0.618 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 CA . . . . . . . . . rr_2l2x 1
. 8 . 1415 . 1 1 10 . CB C -4.703 7.583 0.518 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 CB . . . . . . . . . rr_2l2x 1
. 8 . 1416 . 1 1 10 . HB H -5.063 8.254 1.285 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 HB . . . . . . . . . rr_2l2x 1
. 8 . 1417 . 1 1 10 . N N -4.150 5.543 -0.484 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 N . . . . . . . . . rr_2l2x 1
. 8 . 1418 . 1 1 10 . O O -5.516 5.985 2.817 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 O . . . . . . . . . rr_2l2x 1
. 8 . 1419 . 1 1 10 . SG S -4.124 8.041 -0.996 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 SG . . . . . . . . . rr_2l2x 1
. 8 . 1420 . 1 1 11 . C C -4.047 3.029 3.690 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2x 1
. 8 . 1421 . 1 1 11 . CA C -5.270 3.227 2.793 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2x 1
. 8 . 1422 . 1 1 11 . CB C -5.813 1.859 2.248 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2x 1
. 8 . 1423 . 1 1 11 . CD1 C -7.651 0.999 0.600 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2x 1
. 8 . 1424 . 1 1 11 . CG1 C -7.098 2.168 1.405 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2x 1
. 8 . 1425 . 1 1 11 . CG2 C -6.132 0.926 3.374 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2x 1
. 8 . 1426 . 1 1 11 . H H -4.594 3.751 0.855 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2x 1
. 8 . 1427 . 1 1 11 . HA H -6.051 3.704 3.369 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2x 1
. 8 . 1428 . 1 1 11 . HD11 H -8.596 1.281 0.160 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2x 1
. 8 . 1429 . 1 1 11 . HD12 H -7.797 0.148 1.249 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2x 1
. 8 . 1430 . 1 1 11 . HD13 H -6.955 0.739 -0.182 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2x 1
. 8 . 1431 . 1 1 11 . HD2 H -8.564 3.363 1.968 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2x 1
. 8 . 1432 . 1 1 11 . HG1 H -6.886 2.972 0.717 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2x 1
. 8 . 1433 . 1 1 11 . HG21 H -6.629 0.050 2.988 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2x 1
. 8 . 1434 . 1 1 11 . HG22 H -6.778 1.424 4.082 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2x 1
. 8 . 1435 . 1 1 11 . HG23 H -5.219 0.630 3.868 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2x 1
. 8 . 1436 . 1 1 11 . HG3 H -3.995 1.723 1.532 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2x 1
. 8 . 1437 . 1 1 11 . N N -4.930 4.127 1.695 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2x 1
. 8 . 1438 . 1 1 11 . OD2 O -8.091 2.614 2.337 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2x 1
. 8 . 1439 . 1 1 11 . OG3 O -4.834 1.274 1.408 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2x 1
. 8 . 1440 . 1 1 12 . C C -0.682 1.939 4.191 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2x 1
. 8 . 1441 . 1 1 12 . CA C -2.025 2.468 4.329 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2x 1
. 8 . 1442 . 1 1 12 . CB C -2.515 2.989 5.568 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2x 1
. 8 . 1443 . 1 1 12 . HB H -1.961 3.042 6.493 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2x 1
. 8 . 1444 . 1 1 12 . N N -2.919 2.513 3.314 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2x 1
. 8 . 1445 . 1 1 12 . O O 0.143 1.893 5.104 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2x 1
. 8 . 1446 . 1 1 12 . SG S -4.102 3.506 5.341 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2x 1
. 8 . 1447 . 1 1 13 THR C C 1.459 1.665 1.389 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2x 1
. 8 . 1448 . 1 1 13 THR CA C 0.887 0.946 2.609 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2x 1
. 8 . 1449 . 1 1 13 THR CB C 0.809 -0.576 2.365 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2x 1
. 8 . 1450 . 1 1 13 THR CG2 C 0.402 -1.315 3.628 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2x 1
. 8 . 1451 . 1 1 13 THR H H -1.120 1.546 2.276 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2x 1
. 8 . 1452 . 1 1 13 THR HA H 1.547 1.107 3.447 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2x 1
. 8 . 1453 . 1 1 13 THR HB H 1.776 -0.940 2.043 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2x 1
. 8 . 1454 . 1 1 13 THR HG21 H 0.360 -2.376 3.426 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2x 1
. 8 . 1455 . 1 1 13 THR HG22 H -0.570 -0.971 3.949 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2x 1
. 8 . 1456 . 1 1 13 THR HG23 H 1.127 -1.125 4.405 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2x 1
. 8 . 1457 . 1 1 13 THR N N -0.419 1.499 2.961 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2x 1
. 8 . 1458 . 1 1 13 THR OG1 O -0.224 -0.885 1.346 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2x 1
. 8 . 1459 . 1 1 14 . C C 4.086 1.965 -1.041 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2x 1
. 8 . 1460 . 1 1 14 . CA C 2.827 2.171 -0.245 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2x 1
. 8 . 1461 . 1 1 14 . CB C 1.823 3.163 -0.479 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2x 1
. 8 . 1462 . 1 1 14 . HB H 1.837 3.901 -1.267 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2x 1
. 8 . 1463 . 1 1 14 . N N 2.574 1.363 0.808 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2x 1
. 8 . 1464 . 1 1 14 . SG S 0.614 2.986 0.682 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2x 1
. 8 . 1465 . 1 1 15 . C C 7.287 1.721 0.857 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2x 1
. 8 . 1466 . 1 1 15 . CA C 6.274 1.492 -0.197 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2x 1
. 8 . 1467 . 1 1 15 . CB C 6.647 0.578 -1.286 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2x 1
. 8 . 1468 . 1 1 15 . HB2 H 6.751 -0.419 -0.890 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2x 1
. 8 . 1469 . 1 1 15 . HB3 H 7.591 0.889 -1.710 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2x 1
. 8 . 1470 . 1 1 15 . N N 5.161 2.123 -0.046 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2x 1
. 8 . 1471 . 1 1 16 . C C 10.517 1.051 2.202 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2x 1
. 8 . 1472 . 1 1 16 . CA C 9.177 1.536 1.941 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2x 1
. 8 . 1473 . 1 1 16 . CB C 8.513 2.464 2.805 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2x 1
. 8 . 1474 . 1 1 16 . HB H 8.923 2.889 3.710 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2x 1
. 8 . 1475 . 1 1 16 . N N 8.447 1.154 0.869 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2x 1
. 8 . 1476 . 1 1 16 . O O 11.203 1.392 3.165 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2x 1
. 8 . 1477 . 1 1 16 . SG S 6.983 2.784 2.173 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2x 1
. 8 . 1478 . 1 1 17 DHA C C 12.333 -1.451 0.130 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2x 1
. 8 . 1479 . 1 1 17 DHA CA C 12.233 -0.509 1.239 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2x 1
. 8 . 1480 . 1 1 17 DHA CB C 13.231 -0.326 2.096 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2x 1
. 8 . 1481 . 1 1 17 DHA H H 10.297 -0.022 0.558 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2x 1
. 8 . 1482 . 1 1 17 DHA HB1 H 13.126 0.377 2.907 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2x 1
. 8 . 1483 . 1 1 17 DHA HB2 H 14.150 -0.878 1.987 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2x 1
. 8 . 1484 . 1 1 17 DHA N N 10.929 0.180 1.278 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2x 1
. 8 . 1485 . 1 1 17 DHA O O 11.355 -1.552 -0.609 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2x 1
. 8 . 1486 . 1 1 18 NH2 HN1 H 13.491 -2.790 -0.804 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . rr_2l2x 1
. 8 . 1487 . 1 1 18 NH2 HN2 H 14.198 -2.051 0.558 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . rr_2l2x 1
. 8 . 1488 . 1 1 18 NH2 N N 13.444 -2.162 -0.053 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . rr_2l2x 1
. 9 . 1489 . 1 1 1 QUA C10 C -3.073 -2.348 -2.294 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2x 1
. 9 . 1490 . 1 1 1 QUA C11 C 0.180 -1.223 0.180 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2x 1
. 9 . 1491 . 1 1 1 QUA C13 C -1.497 -2.745 -4.267 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2x 1
. 9 . 1492 . 1 1 1 QUA C14 C -1.468 -4.261 -4.395 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2x 1
. 9 . 1493 . 1 1 1 QUA C2 C -0.984 -1.616 -0.673 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2x 1
. 9 . 1494 . 1 1 1 QUA C3 C -0.714 -1.974 -1.988 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2x 1
. 9 . 1495 . 1 1 1 QUA C4 C -1.771 -2.347 -2.817 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2x 1
. 9 . 1496 . 1 1 1 QUA C5 C -4.249 -2.729 -3.092 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2x 1
. 9 . 1497 . 1 1 1 QUA C6 C -5.382 -3.034 -2.534 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2x 1
. 9 . 1498 . 1 1 1 QUA C7 C -5.565 -3.019 -1.011 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2x 1
. 9 . 1499 . 1 1 1 QUA C8 C -4.639 -1.961 -0.353 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2x 1
. 9 . 1500 . 1 1 1 QUA C9 C -3.246 -1.975 -0.970 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2x 1
. 9 . 1501 . 1 1 1 QUA H13 H -2.283 -2.366 -4.901 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2x 1
. 9 . 1502 . 1 1 1 QUA H141 H -0.712 -4.663 -3.736 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2x 1
. 9 . 1503 . 1 1 1 QUA H142 H -1.238 -4.533 -5.415 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2x 1
. 9 . 1504 . 1 1 1 QUA H143 H -2.432 -4.663 -4.123 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2x 1
. 9 . 1505 . 1 1 1 QUA H15 H 0.439 -2.873 -4.630 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2x 1
. 9 . 1506 . 1 1 1 QUA H16 H -4.588 -0.056 -0.857 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2x 1
. 9 . 1507 . 1 1 1 QUA HC3 H 0.300 -1.963 -2.361 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2x 1
. 9 . 1508 . 1 1 1 QUA HC5 H -4.174 -2.755 -4.168 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2x 1
. 9 . 1509 . 1 1 1 QUA HC6 H -6.219 -3.306 -3.159 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2x 1
. 9 . 1510 . 1 1 1 QUA HC71 H -6.591 -2.784 -0.772 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2x 1
. 9 . 1511 . 1 1 1 QUA HC8 H -4.565 -2.188 0.701 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2x 1
. 9 . 1512 . 1 1 1 QUA N1 N -2.234 -1.607 -0.139 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2x 1
. 9 . 1513 . 1 1 1 QUA O12 O 1.336 -1.181 -0.236 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2x 1
. 9 . 1514 . 1 1 1 QUA O15 O -0.248 -2.208 -4.721 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2x 1
. 9 . 1515 . 1 1 1 QUA O16 O -5.233 -0.666 -0.491 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2x 1
. 9 . 1516 . 1 1 2 ILE C C -4.470 -5.097 1.722 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2x 1
. 9 . 1517 . 1 1 2 ILE CA C -5.661 -4.632 0.889 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2x 1
. 9 . 1518 . 1 1 2 ILE CB C -6.795 -5.671 0.994 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2x 1
. 9 . 1519 . 1 1 2 ILE CD1 C -7.459 -8.037 0.299 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2x 1
. 9 . 1520 . 1 1 2 ILE CG1 C -6.487 -6.891 0.117 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2x 1
. 9 . 1521 . 1 1 2 ILE CG2 C -8.122 -5.039 0.595 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2x 1
. 9 . 1522 . 1 1 2 ILE H H -4.309 -4.581 -0.636 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2x 1
. 9 . 1523 . 1 1 2 ILE HA H -6.021 -3.695 1.292 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2x 1
. 9 . 1524 . 1 1 2 ILE HB H -6.870 -5.986 2.025 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2x 1
. 9 . 1525 . 1 1 2 ILE HD11 H -7.136 -8.880 -0.293 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2x 1
. 9 . 1526 . 1 1 2 ILE HD12 H -8.443 -7.730 -0.022 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2x 1
. 9 . 1527 . 1 1 2 ILE HD13 H -7.492 -8.319 1.341 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2x 1
. 9 . 1528 . 1 1 2 ILE HG12 H -6.517 -6.595 -0.921 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2x 1
. 9 . 1529 . 1 1 2 ILE HG13 H -5.497 -7.255 0.353 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2x 1
. 9 . 1530 . 1 1 2 ILE HG21 H -8.289 -4.151 1.186 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2x 1
. 9 . 1531 . 1 1 2 ILE HG22 H -8.924 -5.741 0.767 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2x 1
. 9 . 1532 . 1 1 2 ILE HG23 H -8.095 -4.774 -0.451 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2x 1
. 9 . 1533 . 1 1 2 ILE N N -5.267 -4.402 -0.532 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2x 1
. 9 . 1534 . 1 1 2 ILE O O -4.482 -5.002 2.949 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2x 1
. 9 . 1535 . 1 1 3 ALA C C -1.075 -6.183 0.728 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2x 1
. 9 . 1536 . 1 1 3 ALA CA C -2.235 -6.073 1.712 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2x 1
. 9 . 1537 . 1 1 3 ALA CB C -2.494 -7.418 2.377 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2x 1
. 9 . 1538 . 1 1 3 ALA H H -3.495 -5.649 0.066 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2x 1
. 9 . 1539 . 1 1 3 ALA HA H -1.977 -5.360 2.482 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2x 1
. 9 . 1540 . 1 1 3 ALA HB1 H -1.599 -7.746 2.884 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2x 1
. 9 . 1541 . 1 1 3 ALA HB2 H -2.771 -8.143 1.626 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2x 1
. 9 . 1542 . 1 1 3 ALA HB3 H -3.296 -7.316 3.093 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2x 1
. 9 . 1543 . 1 1 3 ALA N N -3.441 -5.598 1.043 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2x 1
. 9 . 1544 . 1 1 3 ALA O O -1.080 -7.045 -0.149 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2x 1
. 9 . 1545 . 1 1 4 DHA C C 2.004 -4.100 0.489 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2x 1
. 9 . 1546 . 1 1 4 DHA CA C 1.115 -5.162 0.045 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2x 1
. 9 . 1547 . 1 1 4 DHA CB C 1.403 -5.894 -1.022 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2x 1
. 9 . 1548 . 1 1 4 DHA H H -0.171 -4.687 1.652 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2x 1
. 9 . 1549 . 1 1 4 DHA HB1 H 0.733 -6.674 -1.341 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2x 1
. 9 . 1550 . 1 1 4 DHA HB2 H 2.312 -5.706 -1.575 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2x 1
. 9 . 1551 . 1 1 4 DHA N N -0.085 -5.300 0.892 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2x 1
. 9 . 1552 . 1 1 4 DHA O O 1.666 -3.465 1.488 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2x 1
. 9 . 1553 . 1 1 5 ALA C C 4.194 -1.785 -0.997 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2x 1
. 9 . 1554 . 1 1 5 ALA CA C 4.016 -2.749 0.173 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2x 1
. 9 . 1555 . 1 1 5 ALA CB C 5.365 -3.288 0.623 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2x 1
. 9 . 1556 . 1 1 5 ALA H H 3.361 -4.422 -0.947 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2x 1
. 9 . 1557 . 1 1 5 ALA HA H 3.573 -2.215 1.001 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2x 1
. 9 . 1558 . 1 1 5 ALA HB1 H 5.228 -3.945 1.469 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2x 1
. 9 . 1559 . 1 1 5 ALA HB2 H 6.006 -2.466 0.905 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2x 1
. 9 . 1560 . 1 1 5 ALA HB3 H 5.822 -3.838 -0.188 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2x 1
. 9 . 1561 . 1 1 5 ALA N N 3.125 -3.850 -0.187 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2x 1
. 9 . 1562 . 1 1 5 ALA O O 4.481 -2.208 -2.118 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2x 1
. 9 . 1563 . 1 1 6 SER C C 3.155 0.443 -2.830 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2x 1
. 9 . 1564 . 1 1 6 SER CA C 4.179 0.563 -1.795 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2x 1
. 9 . 1565 . 1 1 6 SER CB C 5.621 0.540 -2.380 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2x 1
. 9 . 1566 . 1 1 6 SER H H 3.787 -0.223 0.187 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2x 1
. 9 . 1567 . 1 1 6 SER HB2 H 5.771 -0.368 -2.944 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2x 1
. 9 . 1568 . 1 1 6 SER HB3 H 5.762 1.393 -3.028 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2x 1
. 9 . 1569 . 1 1 6 SER N N 4.020 -0.489 -0.727 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2x 1
. 9 . 1570 . 1 1 7 . C C -0.117 1.079 -4.131 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2x 1
. 9 . 1571 . 1 1 7 . CA C 1.251 0.646 -3.917 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2x 1
. 9 . 1572 . 1 1 7 . CB C 1.968 -0.124 -4.879 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2x 1
. 9 . 1573 . 1 1 7 . HB H 1.587 -0.456 -5.834 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2x 1
. 9 . 1574 . 1 1 7 . N N 1.954 0.933 -2.800 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2x 1
. 9 . 1575 . 1 1 7 . O O -0.783 0.820 -5.135 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2x 1
. 9 . 1576 . 1 1 7 . SG S 3.509 -0.428 -4.276 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2x 1
. 9 . 1577 . 1 1 8 THR C C -1.949 3.838 -2.794 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2x 1
. 9 . 1578 . 1 1 8 THR CA C -1.946 2.347 -3.128 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2x 1
. 9 . 1579 . 1 1 8 THR CB C -2.856 1.598 -2.133 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2x 1
. 9 . 1580 . 1 1 8 THR CG2 C -2.266 1.617 -0.728 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2x 1
. 9 . 1581 . 1 1 8 THR H H -0.010 1.983 -2.349 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2x 1
. 9 . 1582 . 1 1 8 THR HA H -2.352 2.215 -4.121 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2x 1
. 9 . 1583 . 1 1 8 THR HB H -2.941 0.569 -2.454 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2x 1
. 9 . 1584 . 1 1 8 THR HG1 H -4.532 2.169 -3.002 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2x 1
. 9 . 1585 . 1 1 8 THR HG21 H -2.309 2.620 -0.332 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2x 1
. 9 . 1586 . 1 1 8 THR HG22 H -1.239 1.288 -0.766 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2x 1
. 9 . 1587 . 1 1 8 THR HG23 H -2.834 0.955 -0.091 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2x 1
. 9 . 1588 . 1 1 8 THR N N -0.589 1.807 -3.119 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2x 1
. 9 . 1589 . 1 1 8 THR O O -0.935 4.390 -2.369 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2x 1
. 9 . 1590 . 1 1 8 THR OG1 O -4.160 2.188 -2.116 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2x 1
. 9 . 1591 . 1 1 9 DBU C C -3.831 6.322 -1.469 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2x 1
. 9 . 1592 . 1 1 9 DBU CA C -3.301 5.921 -2.795 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2x 1
. 9 . 1593 . 1 1 9 DBU CB C -3.041 6.839 -3.720 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2x 1
. 9 . 1594 . 1 1 9 DBU CG C -2.490 6.489 -5.111 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2x 1
. 9 . 1595 . 1 1 9 DBU HG1 H -3.195 5.853 -5.627 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2x 1
. 9 . 1596 . 1 1 9 DBU HG2 H -1.548 5.971 -5.006 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2x 1
. 9 . 1597 . 1 1 9 DBU HG3 H -2.340 7.396 -5.678 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2x 1
. 9 . 1598 . 1 1 9 DBU N N -3.098 4.482 -2.987 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2x 1
. 9 . 1599 . 1 1 10 . C C -4.989 5.409 1.782 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 C . . . . . . . . . rr_2l2x 1
. 9 . 1600 . 1 1 10 . CA C -4.586 6.108 0.576 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 CA . . . . . . . . . rr_2l2x 1
. 9 . 1601 . 1 1 10 . CB C -4.649 7.534 0.462 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 CB . . . . . . . . . rr_2l2x 1
. 9 . 1602 . 1 1 10 . HB H -4.988 8.214 1.230 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 HB . . . . . . . . . rr_2l2x 1
. 9 . 1603 . 1 1 10 . N N -4.122 5.482 -0.531 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 N . . . . . . . . . rr_2l2x 1
. 9 . 1604 . 1 1 10 . O O -5.411 5.961 2.799 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 O . . . . . . . . . rr_2l2x 1
. 9 . 1605 . 1 1 10 . SG S -4.104 7.974 -1.071 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 SG . . . . . . . . . rr_2l2x 1
. 9 . 1606 . 1 1 11 . C C -4.009 2.993 3.696 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2x 1
. 9 . 1607 . 1 1 11 . CA C -5.219 3.199 2.781 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2x 1
. 9 . 1608 . 1 1 11 . CB C -5.764 1.834 2.233 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2x 1
. 9 . 1609 . 1 1 11 . CD1 C -7.597 1.019 0.558 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2x 1
. 9 . 1610 . 1 1 11 . CG1 C -7.088 2.141 1.451 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2x 1
. 9 . 1611 . 1 1 11 . CG2 C -6.023 0.871 3.350 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2x 1
. 9 . 1612 . 1 1 11 . H H -4.515 3.704 0.848 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2x 1
. 9 . 1613 . 1 1 11 . HA H -6.005 3.683 3.345 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2x 1
. 9 . 1614 . 1 1 11 . HD11 H -7.589 0.087 1.105 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2x 1
. 9 . 1615 . 1 1 11 . HD12 H -6.960 0.933 -0.309 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2x 1
. 9 . 1616 . 1 1 11 . HD13 H -8.606 1.241 0.243 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2x 1
. 9 . 1617 . 1 1 11 . HD2 H -8.669 3.120 2.110 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2x 1
. 9 . 1618 . 1 1 11 . HG1 H -6.941 3.015 0.837 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2x 1
. 9 . 1619 . 1 1 11 . HG21 H -6.582 1.366 4.130 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2x 1
. 9 . 1620 . 1 1 11 . HG22 H -5.083 0.518 3.748 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2x 1
. 9 . 1621 . 1 1 11 . HG23 H -6.592 0.032 2.980 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2x 1
. 9 . 1622 . 1 1 11 . HG3 H -4.234 0.685 1.818 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2x 1
. 9 . 1623 . 1 1 11 . N N -4.860 4.089 1.681 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2x 1
. 9 . 1624 . 1 1 11 . OD2 O -8.078 2.442 2.444 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2x 1
. 9 . 1625 . 1 1 11 . OG3 O -4.815 1.281 1.339 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2x 1
. 9 . 1626 . 1 1 12 . C C -0.660 1.894 4.231 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2x 1
. 9 . 1627 . 1 1 12 . CA C -2.002 2.425 4.359 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2x 1
. 9 . 1628 . 1 1 12 . CB C -2.505 2.941 5.594 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2x 1
. 9 . 1629 . 1 1 12 . HB H -1.962 2.987 6.526 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2x 1
. 9 . 1630 . 1 1 12 . N N -2.880 2.479 3.333 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2x 1
. 9 . 1631 . 1 1 12 . O O 0.160 1.843 5.150 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2x 1
. 9 . 1632 . 1 1 12 . SG S -4.087 3.462 5.350 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2x 1
. 9 . 1633 . 1 1 13 THR C C 1.459 1.608 1.411 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2x 1
. 9 . 1634 . 1 1 13 THR CA C 0.912 0.905 2.650 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2x 1
. 9 . 1635 . 1 1 13 THR CB C 0.838 -0.619 2.429 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2x 1
. 9 . 1636 . 1 1 13 THR CG2 C 0.440 -1.343 3.704 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2x 1
. 9 . 1637 . 1 1 13 THR H H -1.093 1.500 2.318 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2x 1
. 9 . 1638 . 1 1 13 THR HA H 1.581 1.086 3.478 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2x 1
. 9 . 1639 . 1 1 13 THR HB H 1.803 -0.986 2.103 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2x 1
. 9 . 1640 . 1 1 13 THR HG21 H -0.535 -1.004 4.021 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2x 1
. 9 . 1641 . 1 1 13 THR HG22 H 1.163 -1.132 4.478 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2x 1
. 9 . 1642 . 1 1 13 THR HG23 H 0.410 -2.406 3.520 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2x 1
. 9 . 1643 . 1 1 13 THR N N -0.394 1.454 3.003 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2x 1
. 9 . 1644 . 1 1 13 THR OG1 O -0.204 -0.938 1.422 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2x 1
. 9 . 1645 . 1 1 14 . C C 4.068 1.935 -1.033 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2x 1
. 9 . 1646 . 1 1 14 . CA C 2.806 2.115 -0.240 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2x 1
. 9 . 1647 . 1 1 14 . CB C 1.766 3.062 -0.500 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2x 1
. 9 . 1648 . 1 1 14 . HB H 1.752 3.777 -1.309 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2x 1
. 9 . 1649 . 1 1 14 . N N 2.584 1.330 0.837 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2x 1
. 9 . 1650 . 1 1 14 . SG S 0.567 2.876 0.668 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2x 1
. 9 . 1651 . 1 1 15 . C C 7.266 1.763 0.875 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2x 1
. 9 . 1652 . 1 1 15 . CA C 6.262 1.507 -0.179 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2x 1
. 9 . 1653 . 1 1 15 . CB C 6.654 0.593 -1.261 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2x 1
. 9 . 1654 . 1 1 15 . HB2 H 6.773 -0.398 -0.856 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2x 1
. 9 . 1655 . 1 1 15 . HB3 H 7.596 0.917 -1.682 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2x 1
. 9 . 1656 . 1 1 15 . N N 5.139 2.117 -0.037 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2x 1
. 9 . 1657 . 1 1 16 . C C 10.516 1.192 2.220 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2x 1
. 9 . 1658 . 1 1 16 . CA C 9.162 1.633 1.960 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2x 1
. 9 . 1659 . 1 1 16 . CB C 8.468 2.537 2.826 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2x 1
. 9 . 1660 . 1 1 16 . HB H 8.864 2.970 3.733 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2x 1
. 9 . 1661 . 1 1 16 . N N 8.443 1.233 0.885 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2x 1
. 9 . 1662 . 1 1 16 . O O 11.186 1.547 3.188 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2x 1
. 9 . 1663 . 1 1 16 . SG S 6.929 2.811 2.195 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2x 1
. 9 . 1664 . 1 1 17 DHA C C 12.420 -1.267 0.171 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2x 1
. 9 . 1665 . 1 1 17 DHA CA C 12.296 -0.291 1.248 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2x 1
. 9 . 1666 . 1 1 17 DHA CB C 13.301 -0.032 2.078 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2x 1
. 9 . 1667 . 1 1 17 DHA H H 10.333 0.107 0.577 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2x 1
. 9 . 1668 . 1 1 17 DHA HB1 H 13.178 0.694 2.865 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2x 1
. 9 . 1669 . 1 1 17 DHA HB2 H 14.241 -0.545 1.970 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2x 1
. 9 . 1670 . 1 1 17 DHA N N 10.962 0.340 1.292 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2x 1
. 9 . 1671 . 1 1 17 DHA O O 11.434 -1.441 -0.545 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2x 1
. 9 . 1672 . 1 1 18 NH2 HN1 H 13.623 -2.584 -0.739 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . rr_2l2x 1
. 9 . 1673 . 1 1 18 NH2 HN2 H 14.319 -1.764 0.581 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . rr_2l2x 1
. 9 . 1674 . 1 1 18 NH2 N N 13.560 -1.932 -0.010 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . rr_2l2x 1
. 10 . 1675 . 1 1 1 QUA C10 C -3.054 -2.364 -2.378 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2x 1
. 10 . 1676 . 1 1 1 QUA C11 C 0.182 -1.216 0.109 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2x 1
. 10 . 1677 . 1 1 1 QUA C13 C -1.466 -2.806 -4.328 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2x 1
. 10 . 1678 . 1 1 1 QUA C14 C -1.417 -4.325 -4.421 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2x 1
. 10 . 1679 . 1 1 1 QUA C2 C -0.976 -1.616 -0.751 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2x 1
. 10 . 1680 . 1 1 1 QUA C3 C -0.696 -1.999 -2.056 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2x 1
. 10 . 1681 . 1 1 1 QUA C4 C -1.749 -2.380 -2.888 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2x 1
. 10 . 1682 . 1 1 1 QUA C5 C -4.227 -2.749 -3.180 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2x 1
. 10 . 1683 . 1 1 1 QUA C6 C -5.367 -3.035 -2.629 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2x 1
. 10 . 1684 . 1 1 1 QUA C7 C -5.566 -2.992 -1.110 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2x 1
. 10 . 1685 . 1 1 1 QUA C8 C -4.636 -1.931 -0.458 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2x 1
. 10 . 1686 . 1 1 1 QUA C9 C -3.237 -1.967 -1.061 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2x 1
. 10 . 1687 . 1 1 1 QUA H13 H -2.255 -2.453 -4.973 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2x 1
. 10 . 1688 . 1 1 1 QUA H141 H -0.612 -4.697 -3.806 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2x 1
. 10 . 1689 . 1 1 1 QUA H142 H -1.251 -4.618 -5.448 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2x 1
. 10 . 1690 . 1 1 1 QUA H143 H -2.353 -4.736 -4.076 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2x 1
. 10 . 1691 . 1 1 1 QUA H15 H -0.389 -1.648 -5.509 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2x 1
. 10 . 1692 . 1 1 1 QUA H16 H -6.126 -0.725 -0.917 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2x 1
. 10 . 1693 . 1 1 1 QUA HC3 H 0.320 -2.001 -2.420 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2x 1
. 10 . 1694 . 1 1 1 QUA HC5 H -4.140 -2.794 -4.254 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2x 1
. 10 . 1695 . 1 1 1 QUA HC6 H -6.199 -3.310 -3.259 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2x 1
. 10 . 1696 . 1 1 1 QUA HC71 H -6.591 -2.745 -0.884 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2x 1
. 10 . 1697 . 1 1 1 QUA HC8 H -4.573 -2.142 0.600 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2x 1
. 10 . 1698 . 1 1 1 QUA N1 N -2.231 -1.590 -0.227 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2x 1
. 10 . 1699 . 1 1 1 QUA O12 O 1.343 -1.182 -0.298 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2x 1
. 10 . 1700 . 1 1 1 QUA O15 O -0.223 -2.264 -4.792 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2x 1
. 10 . 1701 . 1 1 1 QUA O16 O -5.215 -0.634 -0.625 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2x 1
. 10 . 1702 . 1 1 2 ILE C C -4.521 -5.008 1.675 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2x 1
. 10 . 1703 . 1 1 2 ILE CA C -5.702 -4.577 0.809 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2x 1
. 10 . 1704 . 1 1 2 ILE CB C -6.824 -5.633 0.913 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2x 1
. 10 . 1705 . 1 1 2 ILE CD1 C -7.432 -8.030 0.273 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2x 1
. 10 . 1706 . 1 1 2 ILE CG1 C -6.469 -6.876 0.086 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2x 1
. 10 . 1707 . 1 1 2 ILE CG2 C -8.146 -5.037 0.452 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2x 1
. 10 . 1708 . 1 1 2 ILE H H -4.323 -4.553 -0.690 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2x 1
. 10 . 1709 . 1 1 2 ILE HA H -6.084 -3.638 1.185 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2x 1
. 10 . 1710 . 1 1 2 ILE HB H -6.927 -5.915 1.950 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2x 1
. 10 . 1711 . 1 1 2 ILE HD11 H -7.048 -8.904 -0.232 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2x 1
. 10 . 1712 . 1 1 2 ILE HD12 H -8.393 -7.768 -0.145 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2x 1
. 10 . 1713 . 1 1 2 ILE HD13 H -7.542 -8.242 1.326 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2x 1
. 10 . 1714 . 1 1 2 ILE HG12 H -6.467 -6.614 -0.961 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2x 1
. 10 . 1715 . 1 1 2 ILE HG13 H -5.483 -7.218 0.367 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2x 1
. 10 . 1716 . 1 1 2 ILE HG21 H -8.339 -4.124 0.996 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2x 1
. 10 . 1717 . 1 1 2 ILE HG22 H -8.944 -5.741 0.638 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2x 1
. 10 . 1718 . 1 1 2 ILE HG23 H -8.096 -4.823 -0.605 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2x 1
. 10 . 1719 . 1 1 2 ILE N N -5.282 -4.369 -0.607 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2x 1
. 10 . 1720 . 1 1 2 ILE O O -4.535 -4.833 2.893 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2x 1
. 10 . 1721 . 1 1 3 ALA C C -1.121 -6.135 0.759 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2x 1
. 10 . 1722 . 1 1 3 ALA CA C -2.293 -6.004 1.729 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2x 1
. 10 . 1723 . 1 1 3 ALA CB C -2.539 -7.326 2.445 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2x 1
. 10 . 1724 . 1 1 3 ALA H H -3.563 -5.701 0.062 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2x 1
. 10 . 1725 . 1 1 3 ALA HA H -2.051 -5.257 2.472 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2x 1
. 10 . 1726 . 1 1 3 ALA HB1 H -2.779 -8.089 1.720 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2x 1
. 10 . 1727 . 1 1 3 ALA HB2 H -3.361 -7.213 3.136 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2x 1
. 10 . 1728 . 1 1 3 ALA HB3 H -1.650 -7.612 2.988 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2x 1
. 10 . 1729 . 1 1 3 ALA N N -3.501 -5.572 1.031 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2x 1
. 10 . 1730 . 1 1 3 ALA O O -1.129 -6.998 -0.117 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2x 1
. 10 . 1731 . 1 1 4 DHA C C 1.980 -4.082 0.537 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2x 1
. 10 . 1732 . 1 1 4 DHA CA C 1.094 -5.149 0.098 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2x 1
. 10 . 1733 . 1 1 4 DHA CB C 1.393 -5.900 -0.951 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2x 1
. 10 . 1734 . 1 1 4 DHA H H -0.201 -4.654 1.692 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2x 1
. 10 . 1735 . 1 1 4 DHA HB1 H 0.726 -6.685 -1.266 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2x 1
. 10 . 1736 . 1 1 4 DHA HB2 H 2.310 -5.724 -1.495 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2x 1
. 10 . 1737 . 1 1 4 DHA N N -0.118 -5.270 0.934 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2x 1
. 10 . 1738 . 1 1 4 DHA O O 1.630 -3.432 1.522 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2x 1
. 10 . 1739 . 1 1 5 ALA C C 4.184 -1.783 -0.954 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2x 1
. 10 . 1740 . 1 1 5 ALA CA C 3.994 -2.735 0.224 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2x 1
. 10 . 1741 . 1 1 5 ALA CB C 5.338 -3.271 0.693 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2x 1
. 10 . 1742 . 1 1 5 ALA H H 3.344 -4.416 -0.888 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2x 1
. 10 . 1743 . 1 1 5 ALA HA H 3.543 -2.193 1.042 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2x 1
. 10 . 1744 . 1 1 5 ALA HB1 H 5.186 -3.956 1.513 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2x 1
. 10 . 1745 . 1 1 5 ALA HB2 H 5.959 -2.449 1.020 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2x 1
. 10 . 1746 . 1 1 5 ALA HB3 H 5.823 -3.786 -0.122 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2x 1
. 10 . 1747 . 1 1 5 ALA N N 3.105 -3.839 -0.135 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2x 1
. 10 . 1748 . 1 1 5 ALA O O 4.458 -2.217 -2.073 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2x 1
. 10 . 1749 . 1 1 6 SER C C 3.154 0.425 -2.792 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2x 1
. 10 . 1750 . 1 1 6 SER CA C 4.189 0.556 -1.773 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2x 1
. 10 . 1751 . 1 1 6 SER CB C 5.622 0.517 -2.374 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2x 1
. 10 . 1752 . 1 1 6 SER H H 3.825 -0.203 0.225 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2x 1
. 10 . 1753 . 1 1 6 SER HB2 H 5.761 -0.398 -2.928 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2x 1
. 10 . 1754 . 1 1 6 SER HB3 H 5.762 1.361 -3.032 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2x 1
. 10 . 1755 . 1 1 6 SER N N 4.037 -0.481 -0.690 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2x 1
. 10 . 1756 . 1 1 7 . C C -0.134 1.037 -4.051 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2x 1
. 10 . 1757 . 1 1 7 . CA C 1.236 0.612 -3.854 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2x 1
. 10 . 1758 . 1 1 7 . CB C 1.944 -0.161 -4.822 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2x 1
. 10 . 1759 . 1 1 7 . HB H 1.551 -0.501 -5.769 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2x 1
. 10 . 1760 . 1 1 7 . N N 1.953 0.909 -2.748 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2x 1
. 10 . 1761 . 1 1 7 . O O -0.809 0.778 -5.047 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2x 1
. 10 . 1762 . 1 1 7 . SG S 3.494 -0.454 -4.236 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2x 1
. 10 . 1763 . 1 1 8 THR C C -1.971 3.783 -2.762 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2x 1
. 10 . 1764 . 1 1 8 THR CA C -1.963 2.278 -3.015 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2x 1
. 10 . 1765 . 1 1 8 THR CB C -2.829 1.575 -1.948 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2x 1
. 10 . 1766 . 1 1 8 THR CG2 C -2.184 1.658 -0.571 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2x 1
. 10 . 1767 . 1 1 8 THR H H -0.012 1.932 -2.265 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2x 1
. 10 . 1768 . 1 1 8 THR HA H -2.403 2.089 -3.983 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2x 1
. 10 . 1769 . 1 1 8 THR HB H -2.926 0.533 -2.219 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2x 1
. 10 . 1770 . 1 1 8 THR HG1 H -4.087 3.016 -1.465 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2x 1
. 10 . 1771 . 1 1 8 THR HG21 H -2.169 2.685 -0.240 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2x 1
. 10 . 1772 . 1 1 8 THR HG22 H -1.173 1.283 -0.624 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2x 1
. 10 . 1773 . 1 1 8 THR HG23 H -2.752 1.063 0.129 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2x 1
. 10 . 1774 . 1 1 8 THR N N -0.601 1.752 -3.029 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2x 1
. 10 . 1775 . 1 1 8 THR O O -0.946 4.369 -2.412 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2x 1
. 10 . 1776 . 1 1 8 THR OG1 O -4.135 2.164 -1.904 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2x 1
. 10 . 1777 . 1 1 9 DBU C C -3.875 6.267 -1.469 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2x 1
. 10 . 1778 . 1 1 9 DBU CA C -3.360 5.841 -2.792 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2x 1
. 10 . 1779 . 1 1 9 DBU CB C -3.133 6.736 -3.746 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2x 1
. 10 . 1780 . 1 1 9 DBU CG C -2.599 6.358 -5.135 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2x 1
. 10 . 1781 . 1 1 9 DBU HG1 H -3.270 5.648 -5.597 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2x 1
. 10 . 1782 . 1 1 9 DBU HG2 H -1.620 5.914 -5.038 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2x 1
. 10 . 1783 . 1 1 9 DBU HG3 H -2.533 7.243 -5.749 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2x 1
. 10 . 1784 . 1 1 9 DBU N N -3.134 4.401 -2.943 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2x 1
. 10 . 1785 . 1 1 10 . C C -4.996 5.410 1.806 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 C . . . . . . . . . rr_2l2x 1
. 10 . 1786 . 1 1 10 . CA C -4.605 6.089 0.586 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 CA . . . . . . . . . rr_2l2x 1
. 10 . 1787 . 1 1 10 . CB C -4.668 7.512 0.448 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 CB . . . . . . . . . rr_2l2x 1
. 10 . 1788 . 1 1 10 . HB H -4.999 8.204 1.208 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 HB . . . . . . . . . rr_2l2x 1
. 10 . 1789 . 1 1 10 . N N -4.155 5.443 -0.514 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 N . . . . . . . . . rr_2l2x 1
. 10 . 1790 . 1 1 10 . O O -5.402 5.980 2.820 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 O . . . . . . . . . rr_2l2x 1
. 10 . 1791 . 1 1 10 . SG S -4.141 7.925 -1.096 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 SG . . . . . . . . . rr_2l2x 1
. 10 . 1792 . 1 1 11 . C C -4.026 2.977 3.732 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2x 1
. 10 . 1793 . 1 1 11 . CA C -5.244 3.218 2.837 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2x 1
. 10 . 1794 . 1 1 11 . CB C -5.852 1.869 2.313 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2x 1
. 10 . 1795 . 1 1 11 . CD1 C -7.783 1.049 0.749 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2x 1
. 10 . 1796 . 1 1 11 . CG1 C -7.072 2.232 1.396 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2x 1
. 10 . 1797 . 1 1 11 . CG2 C -6.287 1.002 3.454 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2x 1
. 10 . 1798 . 1 1 11 . H H -4.531 3.689 0.898 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2x 1
. 10 . 1799 . 1 1 11 . HA H -6.000 3.735 3.410 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2x 1
. 10 . 1800 . 1 1 11 . HD11 H -8.511 1.412 0.040 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2x 1
. 10 . 1801 . 1 1 11 . HD12 H -8.282 0.469 1.512 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2x 1
. 10 . 1802 . 1 1 11 . HD13 H -7.062 0.429 0.240 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2x 1
. 10 . 1803 . 1 1 11 . HD2 H -8.560 2.309 2.689 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2x 1
. 10 . 1804 . 1 1 11 . HG1 H -6.741 2.893 0.609 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2x 1
. 10 . 1805 . 1 1 11 . HG21 H -6.980 1.548 4.075 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2x 1
. 10 . 1806 . 1 1 11 . HG22 H -5.426 0.715 4.040 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2x 1
. 10 . 1807 . 1 1 11 . HG23 H -6.770 0.116 3.070 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2x 1
. 10 . 1808 . 1 1 11 . HG3 H -4.363 1.826 1.041 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2x 1
. 10 . 1809 . 1 1 11 . N N -4.876 4.088 1.725 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2x 1
. 10 . 1810 . 1 1 11 . OD2 O -8.001 2.938 2.228 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2x 1
. 10 . 1811 . 1 1 11 . OG3 O -4.878 1.190 1.541 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2x 1
. 10 . 1812 . 1 1 12 . C C -0.671 1.852 4.220 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2x 1
. 10 . 1813 . 1 1 12 . CA C -2.013 2.382 4.365 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2x 1
. 10 . 1814 . 1 1 12 . CB C -2.509 2.860 5.617 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2x 1
. 10 . 1815 . 1 1 12 . HB H -1.961 2.877 6.548 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2x 1
. 10 . 1816 . 1 1 12 . N N -2.900 2.469 3.345 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2x 1
. 10 . 1817 . 1 1 12 . O O 0.145 1.772 5.138 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2x 1
. 10 . 1818 . 1 1 12 . SG S -4.091 3.394 5.399 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2x 1
. 10 . 1819 . 1 1 13 THR C C 1.479 1.628 1.413 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2x 1
. 10 . 1820 . 1 1 13 THR CA C 0.906 0.897 2.625 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2x 1
. 10 . 1821 . 1 1 13 THR CB C 0.824 -0.621 2.367 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2x 1
. 10 . 1822 . 1 1 13 THR CG2 C 0.413 -1.372 3.623 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2x 1
. 10 . 1823 . 1 1 13 THR H H -1.093 1.524 2.291 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2x 1
. 10 . 1824 . 1 1 13 THR HA H 1.565 1.051 3.466 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2x 1
. 10 . 1825 . 1 1 13 THR HB H 1.789 -0.986 2.041 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2x 1
. 10 . 1826 . 1 1 13 THR HG21 H 1.138 -1.194 4.404 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2x 1
. 10 . 1827 . 1 1 13 THR HG22 H 0.366 -2.431 3.410 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2x 1
. 10 . 1828 . 1 1 13 THR HG23 H -0.558 -1.028 3.948 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2x 1
. 10 . 1829 . 1 1 13 THR N N -0.400 1.449 2.980 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2x 1
. 10 . 1830 . 1 1 13 THR OG1 O -0.212 -0.914 1.345 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2x 1
. 10 . 1831 . 1 1 14 . C C 4.093 1.942 -1.032 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2x 1
. 10 . 1832 . 1 1 14 . CA C 2.842 2.144 -0.222 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2x 1
. 10 . 1833 . 1 1 14 . CB C 1.847 3.148 -0.435 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2x 1
. 10 . 1834 . 1 1 14 . HB H 1.863 3.899 -1.212 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2x 1
. 10 . 1835 . 1 1 14 . N N 2.588 1.324 0.821 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2x 1
. 10 . 1836 . 1 1 14 . SG S 0.643 2.967 0.730 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2x 1
. 10 . 1837 . 1 1 15 . C C 7.314 1.787 0.836 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2x 1
. 10 . 1838 . 1 1 15 . CA C 6.295 1.516 -0.199 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2x 1
. 10 . 1839 . 1 1 15 . CB C 6.666 0.576 -1.266 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2x 1
. 10 . 1840 . 1 1 15 . HB2 H 6.774 -0.410 -0.844 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2x 1
. 10 . 1841 . 1 1 15 . HB3 H 7.608 0.878 -1.701 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2x 1
. 10 . 1842 . 1 1 15 . N N 5.178 2.138 -0.054 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2x 1
. 10 . 1843 . 1 1 16 . C C 10.564 1.212 2.170 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2x 1
. 10 . 1844 . 1 1 16 . CA C 9.216 1.660 1.902 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2x 1
. 10 . 1845 . 1 1 16 . CB C 8.551 2.595 2.748 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2x 1
. 10 . 1846 . 1 1 16 . HB H 8.972 3.044 3.636 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2x 1
. 10 . 1847 . 1 1 16 . N N 8.484 1.239 0.848 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2x 1
. 10 . 1848 . 1 1 16 . O O 11.239 1.595 3.124 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2x 1
. 10 . 1849 . 1 1 16 . SG S 7.010 2.878 2.130 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2x 1
. 10 . 1850 . 1 1 17 DHA C C 12.484 -1.276 0.188 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2x 1
. 10 . 1851 . 1 1 17 DHA CA C 12.317 -0.323 1.270 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2x 1
. 10 . 1852 . 1 1 17 DHA CB C 13.290 -0.106 2.141 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2x 1
. 10 . 1853 . 1 1 17 DHA H H 10.381 0.099 0.548 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2x 1
. 10 . 1854 . 1 1 17 DHA HB1 H 13.157 0.602 2.938 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2x 1
. 10 . 1855 . 1 1 17 DHA HB2 H 14.218 -0.638 2.052 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2x 1
. 10 . 1856 . 1 1 17 DHA N N 10.999 0.331 1.271 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2x 1
. 10 . 1857 . 1 1 17 DHA O O 11.540 -1.431 -0.588 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2x 1
. 10 . 1858 . 1 1 18 NH2 HN1 H 13.741 -2.586 -0.650 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . rr_2l2x 1
. 10 . 1859 . 1 1 18 NH2 HN2 H 14.341 -1.776 0.729 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . rr_2l2x 1
. 10 . 1860 . 1 1 18 NH2 N N 13.627 -1.940 0.078 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . rr_2l2x 1
. 11 . 1861 . 1 1 1 QUA C10 C -3.087 -2.447 -2.308 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2x 1
. 11 . 1862 . 1 1 1 QUA C11 C 0.152 -1.205 0.130 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2x 1
. 11 . 1863 . 1 1 1 QUA C13 C -1.509 -2.825 -4.286 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2x 1
. 11 . 1864 . 1 1 1 QUA C14 C -1.409 -4.341 -4.389 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2x 1
. 11 . 1865 . 1 1 1 QUA C2 C -1.007 -1.638 -0.710 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2x 1
. 11 . 1866 . 1 1 1 QUA C3 C -0.736 -2.006 -2.021 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2x 1
. 11 . 1867 . 1 1 1 QUA C4 C -1.788 -2.418 -2.839 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2x 1
. 11 . 1868 . 1 1 1 QUA C5 C -4.256 -2.869 -3.094 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2x 1
. 11 . 1869 . 1 1 1 QUA C6 C -5.382 -3.188 -2.529 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2x 1
. 11 . 1870 . 1 1 1 QUA C7 C -5.569 -3.149 -1.007 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2x 1
. 11 . 1871 . 1 1 1 QUA C8 C -4.651 -2.075 -0.358 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2x 1
. 11 . 1872 . 1 1 1 QUA C9 C -3.261 -2.062 -0.987 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2x 1
. 11 . 1873 . 1 1 1 QUA H13 H -2.318 -2.495 -4.918 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2x 1
. 11 . 1874 . 1 1 1 QUA H141 H -2.345 -4.786 -4.084 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2x 1
. 11 . 1875 . 1 1 1 QUA H142 H -0.616 -4.693 -3.747 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2x 1
. 11 . 1876 . 1 1 1 QUA H143 H -1.194 -4.618 -5.412 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2x 1
. 11 . 1877 . 1 1 1 QUA H15 H 0.256 -2.916 -5.164 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2x 1
. 11 . 1878 . 1 1 1 QUA H16 H -6.221 -0.892 -0.515 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2x 1
. 11 . 1879 . 1 1 1 QUA HC3 H 0.274 -1.974 -2.402 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2x 1
. 11 . 1880 . 1 1 1 QUA HC5 H -4.182 -2.916 -4.169 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2x 1
. 11 . 1881 . 1 1 1 QUA HC6 H -6.212 -3.490 -3.150 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2x 1
. 11 . 1882 . 1 1 1 QUA HC71 H -6.596 -2.914 -0.775 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2x 1
. 11 . 1883 . 1 1 1 QUA HC8 H -4.562 -2.301 0.695 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2x 1
. 11 . 1884 . 1 1 1 QUA N1 N -2.253 -1.656 -0.168 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2x 1
. 11 . 1885 . 1 1 1 QUA O12 O 1.306 -1.141 -0.293 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2x 1
. 11 . 1886 . 1 1 1 QUA O15 O -0.290 -2.239 -4.759 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2x 1
. 11 . 1887 . 1 1 1 QUA O16 O -5.266 -0.790 -0.489 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2x 1
. 11 . 1888 . 1 1 2 ILE C C -4.371 -5.062 1.753 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2x 1
. 11 . 1889 . 1 1 2 ILE CA C -5.612 -4.716 0.935 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2x 1
. 11 . 1890 . 1 1 2 ILE CB C -6.671 -5.823 1.125 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2x 1
. 11 . 1891 . 1 1 2 ILE CD1 C -7.090 -8.313 0.750 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2x 1
. 11 . 1892 . 1 1 2 ILE CG1 C -6.261 -7.100 0.379 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2x 1
. 11 . 1893 . 1 1 2 ILE CG2 C -8.029 -5.335 0.643 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2x 1
. 11 . 1894 . 1 1 2 ILE H H -4.318 -4.719 -0.640 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2x 1
. 11 . 1895 . 1 1 2 ILE HA H -6.025 -3.785 1.304 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2x 1
. 11 . 1896 . 1 1 2 ILE HB H -6.748 -6.040 2.180 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2x 1
. 11 . 1897 . 1 1 2 ILE HD11 H -7.067 -8.450 1.822 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2x 1
. 11 . 1898 . 1 1 2 ILE HD12 H -6.680 -9.189 0.268 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2x 1
. 11 . 1899 . 1 1 2 ILE HD13 H -8.109 -8.168 0.427 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2x 1
. 11 . 1900 . 1 1 2 ILE HG12 H -6.371 -6.939 -0.682 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2x 1
. 11 . 1901 . 1 1 2 ILE HG13 H -5.228 -7.326 0.600 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2x 1
. 11 . 1902 . 1 1 2 ILE HG21 H -7.998 -5.178 -0.425 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2x 1
. 11 . 1903 . 1 1 2 ILE HG22 H -8.273 -4.406 1.137 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2x 1
. 11 . 1904 . 1 1 2 ILE HG23 H -8.782 -6.075 0.876 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2x 1
. 11 . 1905 . 1 1 2 ILE N N -5.270 -4.526 -0.505 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2x 1
. 11 . 1906 . 1 1 2 ILE O O -4.274 -4.716 2.931 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2x 1
. 11 . 1907 . 1 1 3 ALA C C -1.038 -6.224 0.776 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2x 1
. 11 . 1908 . 1 1 3 ALA CA C -2.186 -6.149 1.777 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2x 1
. 11 . 1909 . 1 1 3 ALA CB C -2.368 -7.487 2.478 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2x 1
. 11 . 1910 . 1 1 3 ALA H H -3.565 -5.998 0.180 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2x 1
. 11 . 1911 . 1 1 3 ALA HA H -1.951 -5.405 2.524 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2x 1
. 11 . 1912 . 1 1 3 ALA HB1 H -3.204 -7.426 3.159 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2x 1
. 11 . 1913 . 1 1 3 ALA HB2 H -1.472 -7.729 3.030 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2x 1
. 11 . 1914 . 1 1 3 ALA HB3 H -2.557 -8.256 1.743 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2x 1
. 11 . 1915 . 1 1 3 ALA N N -3.425 -5.750 1.118 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2x 1
. 11 . 1916 . 1 1 3 ALA O O -1.038 -7.077 -0.111 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2x 1
. 11 . 1917 . 1 1 4 DHA C C 1.995 -4.079 0.514 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2x 1
. 11 . 1918 . 1 1 4 DHA CA C 1.121 -5.155 0.074 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2x 1
. 11 . 1919 . 1 1 4 DHA CB C 1.411 -5.873 -1.002 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2x 1
. 11 . 1920 . 1 1 4 DHA H H -0.153 -4.716 1.699 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2x 1
. 11 . 1921 . 1 1 4 DHA HB1 H 0.753 -6.665 -1.318 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2x 1
. 11 . 1922 . 1 1 4 DHA HB2 H 2.308 -5.663 -1.565 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2x 1
. 11 . 1923 . 1 1 4 DHA N N -0.065 -5.322 0.934 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2x 1
. 11 . 1924 . 1 1 4 DHA O O 1.659 -3.457 1.522 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2x 1
. 11 . 1925 . 1 1 5 ALA C C 4.167 -1.745 -0.995 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2x 1
. 11 . 1926 . 1 1 5 ALA CA C 3.981 -2.698 0.182 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2x 1
. 11 . 1927 . 1 1 5 ALA CB C 5.327 -3.227 0.651 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2x 1
. 11 . 1928 . 1 1 5 ALA H H 3.329 -4.362 -0.949 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2x 1
. 11 . 1929 . 1 1 5 ALA HA H 3.527 -2.158 1.000 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2x 1
. 11 . 1930 . 1 1 5 ALA HB1 H 5.947 -2.401 0.970 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2x 1
. 11 . 1931 . 1 1 5 ALA HB2 H 5.812 -3.748 -0.161 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2x 1
. 11 . 1932 . 1 1 5 ALA HB3 H 5.179 -3.906 1.477 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2x 1
. 11 . 1933 . 1 1 5 ALA N N 3.100 -3.805 -0.177 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2x 1
. 11 . 1934 . 1 1 5 ALA O O 4.431 -2.180 -2.116 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2x 1
. 11 . 1935 . 1 1 6 SER C C 3.143 0.469 -2.830 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2x 1
. 11 . 1936 . 1 1 6 SER CA C 4.175 0.596 -1.807 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2x 1
. 11 . 1937 . 1 1 6 SER CB C 5.612 0.562 -2.401 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2x 1
. 11 . 1938 . 1 1 6 SER H H 3.819 -0.169 0.189 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2x 1
. 11 . 1939 . 1 1 6 SER HB2 H 5.750 -0.346 -2.969 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2x 1
. 11 . 1940 . 1 1 6 SER HB3 H 5.756 1.416 -3.047 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2x 1
. 11 . 1941 . 1 1 6 SER N N 4.023 -0.445 -0.728 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2x 1
. 11 . 1942 . 1 1 7 . C C -0.138 1.099 -4.093 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2x 1
. 11 . 1943 . 1 1 7 . CA C 1.229 0.664 -3.896 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2x 1
. 11 . 1944 . 1 1 7 . CB C 1.934 -0.113 -4.861 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2x 1
. 11 . 1945 . 1 1 7 . HB H 1.542 -0.451 -5.809 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2x 1
. 11 . 1946 . 1 1 7 . N N 1.944 0.959 -2.789 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2x 1
. 11 . 1947 . 1 1 7 . O O -0.821 0.830 -5.083 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2x 1
. 11 . 1948 . 1 1 7 . SG S 3.482 -0.413 -4.273 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2x 1
. 11 . 1949 . 1 1 8 THR C C -1.890 3.896 -2.724 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2x 1
. 11 . 1950 . 1 1 8 THR CA C -1.929 2.415 -3.089 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2x 1
. 11 . 1951 . 1 1 8 THR CB C -2.866 1.671 -2.116 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2x 1
. 11 . 1952 . 1 1 8 THR CG2 C -2.274 1.619 -0.715 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2x 1
. 11 . 1953 . 1 1 8 THR H H 0.000 2.010 -2.319 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2x 1
. 11 . 1954 . 1 1 8 THR HA H -2.331 2.317 -4.087 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2x 1
. 11 . 1955 . 1 1 8 THR HB H -2.996 0.658 -2.472 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2x 1
. 11 . 1956 . 1 1 8 THR HG1 H -4.097 3.084 -1.502 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2x 1
. 11 . 1957 . 1 1 8 THR HG21 H -1.259 1.254 -0.764 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2x 1
. 11 . 1958 . 1 1 8 THR HG22 H -2.864 0.955 -0.099 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2x 1
. 11 . 1959 . 1 1 8 THR HG23 H -2.279 2.609 -0.283 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2x 1
. 11 . 1960 . 1 1 8 THR N N -0.588 1.841 -3.085 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2x 1
. 11 . 1961 . 1 1 8 THR O O -0.871 4.401 -2.249 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2x 1
. 11 . 1962 . 1 1 8 THR OG1 O -4.145 2.315 -2.074 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2x 1
. 11 . 1963 . 1 1 9 DBU C C -3.719 6.403 -1.399 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2x 1
. 11 . 1964 . 1 1 9 DBU CA C -3.157 6.026 -2.717 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2x 1
. 11 . 1965 . 1 1 9 DBU CB C -2.829 6.962 -3.601 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2x 1
. 11 . 1966 . 1 1 9 DBU CG C -2.242 6.635 -4.981 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2x 1
. 11 . 1967 . 1 1 9 DBU HG1 H -1.317 6.090 -4.861 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2x 1
. 11 . 1968 . 1 1 9 DBU HG2 H -2.051 7.552 -5.517 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2x 1
. 11 . 1969 . 1 1 9 DBU HG3 H -2.945 6.034 -5.538 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2x 1
. 11 . 1970 . 1 1 9 DBU N N -3.001 4.588 -2.945 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2x 1
. 11 . 1971 . 1 1 10 . C C -5.004 5.425 1.781 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 C . . . . . . . . . rr_2l2x 1
. 11 . 1972 . 1 1 10 . CA C -4.545 6.148 0.612 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 CA . . . . . . . . . rr_2l2x 1
. 11 . 1973 . 1 1 10 . CB C -4.564 7.578 0.541 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 CB . . . . . . . . . rr_2l2x 1
. 11 . 1974 . 1 1 10 . HB H -4.909 8.242 1.319 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 HB . . . . . . . . . rr_2l2x 1
. 11 . 1975 . 1 1 10 . N N -4.064 5.543 -0.497 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 N . . . . . . . . . rr_2l2x 1
. 11 . 1976 . 1 1 10 . O O -5.443 5.957 2.801 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 O . . . . . . . . . rr_2l2x 1
. 11 . 1977 . 1 1 10 . SG S -3.958 8.048 -0.958 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 SG . . . . . . . . . rr_2l2x 1
. 11 . 1978 . 1 1 11 . C C -4.063 2.990 3.647 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2x 1
. 11 . 1979 . 1 1 11 . CA C -5.268 3.197 2.729 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2x 1
. 11 . 1980 . 1 1 11 . CB C -5.801 1.832 2.165 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2x 1
. 11 . 1981 . 1 1 11 . CD1 C -7.579 0.990 0.445 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2x 1
. 11 . 1982 . 1 1 11 . CG1 C -7.080 2.139 1.313 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2x 1
. 11 . 1983 . 1 1 11 . CG2 C -6.124 0.887 3.281 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2x 1
. 11 . 1984 . 1 1 11 . H H -4.577 3.734 0.799 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2x 1
. 11 . 1985 . 1 1 11 . HA H -6.059 3.670 3.294 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2x 1
. 11 . 1986 . 1 1 11 . HD11 H -6.933 0.881 -0.413 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2x 1
. 11 . 1987 . 1 1 11 . HD12 H -8.584 1.200 0.113 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2x 1
. 11 . 1988 . 1 1 11 . HD13 H -7.574 0.074 1.017 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2x 1
. 11 . 1989 . 1 1 11 . HD2 H -8.398 3.405 2.061 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2x 1
. 11 . 1990 . 1 1 11 . HG1 H -6.882 2.981 0.667 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2x 1
. 11 . 1991 . 1 1 11 . HG21 H -6.648 0.030 2.889 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2x 1
. 11 . 1992 . 1 1 11 . HG22 H -6.745 1.387 4.010 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2x 1
. 11 . 1993 . 1 1 11 . HG23 H -5.209 0.560 3.754 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2x 1
. 11 . 1994 . 1 1 11 . HG3 H -3.954 1.336 1.746 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2x 1
. 11 . 1995 . 1 1 11 . N N -4.904 4.105 1.645 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2x 1
. 11 . 1996 . 1 1 11 . OD2 O -8.105 2.509 2.245 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2x 1
. 11 . 1997 . 1 1 11 . OG3 O -4.814 1.257 1.328 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2x 1
. 11 . 1998 . 1 1 12 . C C -0.704 1.912 4.183 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2x 1
. 11 . 1999 . 1 1 12 . CA C -2.052 2.429 4.311 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2x 1
. 11 . 2000 . 1 1 12 . CB C -2.567 2.923 5.549 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2x 1
. 11 . 2001 . 1 1 12 . HB H -2.030 2.962 6.486 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2x 1
. 11 . 2002 . 1 1 12 . N N -2.927 2.488 3.282 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2x 1
. 11 . 2003 . 1 1 12 . O O 0.109 1.858 5.106 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2x 1
. 11 . 2004 . 1 1 12 . SG S -4.153 3.435 5.305 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2x 1
. 11 . 2005 . 1 1 13 THR C C 1.450 1.656 1.383 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2x 1
. 11 . 2006 . 1 1 13 THR CA C 0.882 0.940 2.607 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2x 1
. 11 . 2007 . 1 1 13 THR CB C 0.812 -0.584 2.375 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2x 1
. 11 . 2008 . 1 1 13 THR CG2 C 0.423 -1.316 3.648 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2x 1
. 11 . 2009 . 1 1 13 THR H H -1.120 1.539 2.261 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2x 1
. 11 . 2010 . 1 1 13 THR HA H 1.541 1.111 3.446 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2x 1
. 11 . 2011 . 1 1 13 THR HB H 1.777 -0.944 2.044 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2x 1
. 11 . 2012 . 1 1 13 THR HG21 H -0.557 -0.991 3.965 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2x 1
. 11 . 2013 . 1 1 13 THR HG22 H 1.143 -1.099 4.423 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2x 1
. 11 . 2014 . 1 1 13 THR HG23 H 0.406 -2.379 3.461 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2x 1
. 11 . 2015 . 1 1 13 THR N N -0.427 1.486 2.952 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2x 1
. 11 . 2016 . 1 1 13 THR OG1 O -0.232 -0.906 1.369 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2x 1
. 11 . 2017 . 1 1 14 . C C 4.077 1.971 -1.051 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2x 1
. 11 . 2018 . 1 1 14 . CA C 2.815 2.166 -0.255 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2x 1
. 11 . 2019 . 1 1 14 . CB C 1.799 3.146 -0.495 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2x 1
. 11 . 2020 . 1 1 14 . HB H 1.805 3.879 -1.288 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2x 1
. 11 . 2021 . 1 1 14 . N N 2.570 1.362 0.804 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2x 1
. 11 . 2022 . 1 1 14 . SG S 0.592 2.962 0.665 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2x 1
. 11 . 2023 . 1 1 15 . C C 7.272 1.753 0.857 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2x 1
. 11 . 2024 . 1 1 15 . CA C 6.267 1.518 -0.201 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2x 1
. 11 . 2025 . 1 1 15 . CB C 6.649 0.603 -1.287 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2x 1
. 11 . 2026 . 1 1 15 . HB2 H 6.762 -0.392 -0.887 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2x 1
. 11 . 2027 . 1 1 15 . HB3 H 7.593 0.921 -1.711 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2x 1
. 11 . 2028 . 1 1 15 . N N 5.150 2.139 -0.054 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2x 1
. 11 . 2029 . 1 1 16 . C C 10.500 1.128 2.223 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2x 1
. 11 . 2030 . 1 1 16 . CA C 9.158 1.587 1.948 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2x 1
. 11 . 2031 . 1 1 16 . CB C 8.483 2.498 2.813 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2x 1
. 11 . 2032 . 1 1 16 . HB H 8.890 2.917 3.719 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2x 1
. 11 . 2033 . 1 1 16 . N N 8.440 1.201 0.870 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2x 1
. 11 . 2034 . 1 1 16 . O O 11.161 1.476 3.200 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2x 1
. 11 . 2035 . 1 1 16 . SG S 6.951 2.805 2.179 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2x 1
. 11 . 2036 . 1 1 17 DHA C C 12.462 -1.259 0.159 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2x 1
. 11 . 2037 . 1 1 17 DHA CA C 12.266 -0.378 1.296 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2x 1
. 11 . 2038 . 1 1 17 DHA CB C 13.213 -0.219 2.207 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2x 1
. 11 . 2039 . 1 1 17 DHA H H 10.340 0.070 0.561 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2x 1
. 11 . 2040 . 1 1 17 DHA HB1 H 13.055 0.436 3.045 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2x 1
. 11 . 2041 . 1 1 17 DHA HB2 H 14.144 -0.745 2.112 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2x 1
. 11 . 2042 . 1 1 17 DHA N N 10.948 0.276 1.302 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2x 1
. 11 . 2043 . 1 1 17 DHA O O 11.540 -1.362 -0.650 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2x 1
. 11 . 2044 . 1 1 18 NH2 HN1 H 13.744 -2.509 -0.731 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . rr_2l2x 1
. 11 . 2045 . 1 1 18 NH2 HN2 H 14.307 -1.791 0.713 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . rr_2l2x 1
. 11 . 2046 . 1 1 18 NH2 N N 13.609 -1.913 0.035 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . rr_2l2x 1
. 12 . 2047 . 1 1 1 QUA C10 C -3.073 -2.371 -2.364 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2x 1
. 12 . 2048 . 1 1 1 QUA C11 C 0.169 -1.216 0.110 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2x 1
. 12 . 2049 . 1 1 1 QUA C13 C -1.494 -2.807 -4.322 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2x 1
. 12 . 2050 . 1 1 1 QUA C14 C -1.440 -4.326 -4.417 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2x 1
. 12 . 2051 . 1 1 1 QUA C2 C -0.990 -1.617 -0.747 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2x 1
. 12 . 2052 . 1 1 1 QUA C3 C -0.714 -1.997 -2.054 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2x 1
. 12 . 2053 . 1 1 1 QUA C4 C -1.771 -2.383 -2.882 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2x 1
. 12 . 2054 . 1 1 1 QUA C5 C -4.249 -2.762 -3.160 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2x 1
. 12 . 2055 . 1 1 1 QUA C6 C -5.384 -3.055 -2.601 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2x 1
. 12 . 2056 . 1 1 1 QUA C7 C -5.570 -3.018 -1.079 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2x 1
. 12 . 2057 . 1 1 1 QUA C8 C -4.646 -1.948 -0.436 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2x 1
. 12 . 2058 . 1 1 1 QUA C9 C -3.250 -1.976 -1.047 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2x 1
. 12 . 2059 . 1 1 1 QUA H13 H -2.286 -2.455 -4.963 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2x 1
. 12 . 2060 . 1 1 1 QUA H141 H -2.404 -4.738 -4.158 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2x 1
. 12 . 2061 . 1 1 1 QUA H142 H -0.693 -4.703 -3.735 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2x 1
. 12 . 2062 . 1 1 1 QUA H143 H -1.183 -4.615 -5.425 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2x 1
. 12 . 2063 . 1 1 1 QUA H15 H 0.180 -2.896 -5.366 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2x 1
. 12 . 2064 . 1 1 1 QUA H16 H -4.681 0.007 -0.180 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2x 1
. 12 . 2065 . 1 1 1 QUA HC3 H 0.300 -1.995 -2.423 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2x 1
. 12 . 2066 . 1 1 1 QUA HC5 H -4.171 -2.803 -4.235 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2x 1
. 12 . 2067 . 1 1 1 QUA HC6 H -6.220 -3.334 -3.225 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2x 1
. 12 . 2068 . 1 1 1 QUA HC71 H -6.596 -2.782 -0.843 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2x 1
. 12 . 2069 . 1 1 1 QUA HC8 H -4.575 -2.154 0.621 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2x 1
. 12 . 2070 . 1 1 1 QUA N1 N -2.242 -1.598 -0.218 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2x 1
. 12 . 2071 . 1 1 1 QUA O12 O 1.329 -1.177 -0.299 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2x 1
. 12 . 2072 . 1 1 1 QUA O15 O -0.253 -2.262 -4.790 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2x 1
. 12 . 2073 . 1 1 1 QUA O16 O -5.234 -0.654 -0.606 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2x 1
. 12 . 2074 . 1 1 2 ILE C C -4.427 -4.971 1.694 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2x 1
. 12 . 2075 . 1 1 2 ILE CA C -5.644 -4.603 0.848 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2x 1
. 12 . 2076 . 1 1 2 ILE CB C -6.711 -5.710 0.991 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2x 1
. 12 . 2077 . 1 1 2 ILE CD1 C -7.226 -8.123 0.332 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2x 1
. 12 . 2078 . 1 1 2 ILE CG1 C -6.375 -6.896 0.078 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2x 1
. 12 . 2079 . 1 1 2 ILE CG2 C -8.090 -5.152 0.666 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2x 1
. 12 . 2080 . 1 1 2 ILE H H -4.310 -4.575 -0.692 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2x 1
. 12 . 2081 . 1 1 2 ILE HA H -6.062 -3.678 1.223 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2x 1
. 12 . 2082 . 1 1 2 ILE HB H -6.718 -6.043 2.018 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2x 1
. 12 . 2083 . 1 1 2 ILE HD11 H -7.152 -8.403 1.373 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2x 1
. 12 . 2084 . 1 1 2 ILE HD12 H -6.875 -8.937 -0.285 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2x 1
. 12 . 2085 . 1 1 2 ILE HD13 H -8.256 -7.905 0.090 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2x 1
. 12 . 2086 . 1 1 2 ILE HG12 H -6.521 -6.601 -0.950 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2x 1
. 12 . 2087 . 1 1 2 ILE HG13 H -5.341 -7.171 0.224 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2x 1
. 12 . 2088 . 1 1 2 ILE HG21 H -8.132 -4.881 -0.378 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2x 1
. 12 . 2089 . 1 1 2 ILE HG22 H -8.275 -4.278 1.272 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2x 1
. 12 . 2090 . 1 1 2 ILE HG23 H -8.841 -5.900 0.875 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2x 1
. 12 . 2091 . 1 1 2 ILE N N -5.267 -4.394 -0.581 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2x 1
. 12 . 2092 . 1 1 2 ILE O O -4.353 -4.629 2.874 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2x 1
. 12 . 2093 . 1 1 3 ALA C C -1.086 -6.167 0.770 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2x 1
. 12 . 2094 . 1 1 3 ALA CA C -2.241 -6.053 1.760 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2x 1
. 12 . 2095 . 1 1 3 ALA CB C -2.433 -7.364 2.507 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2x 1
. 12 . 2096 . 1 1 3 ALA H H -3.607 -5.936 0.145 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2x 1
. 12 . 2097 . 1 1 3 ALA HA H -2.007 -5.284 2.482 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2x 1
. 12 . 2098 . 1 1 3 ALA HB1 H -2.633 -8.155 1.800 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2x 1
. 12 . 2099 . 1 1 3 ALA HB2 H -3.264 -7.271 3.190 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2x 1
. 12 . 2100 . 1 1 3 ALA HB3 H -1.535 -7.595 3.061 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2x 1
. 12 . 2101 . 1 1 3 ALA N N -3.476 -5.670 1.079 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2x 1
. 12 . 2102 . 1 1 3 ALA O O -1.100 -7.027 -0.109 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2x 1
. 12 . 2103 . 1 1 4 DHA C C 1.998 -4.095 0.519 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2x 1
. 12 . 2104 . 1 1 4 DHA CA C 1.106 -5.156 0.079 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2x 1
. 12 . 2105 . 1 1 4 DHA CB C 1.391 -5.892 -0.985 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2x 1
. 12 . 2106 . 1 1 4 DHA H H -0.170 -4.679 1.693 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2x 1
. 12 . 2107 . 1 1 4 DHA HB1 H 0.719 -6.675 -1.301 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2x 1
. 12 . 2108 . 1 1 4 DHA HB2 H 2.297 -5.708 -1.541 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2x 1
. 12 . 2109 . 1 1 4 DHA N N -0.091 -5.291 0.932 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2x 1
. 12 . 2110 . 1 1 4 DHA O O 1.665 -3.461 1.521 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2x 1
. 12 . 2111 . 1 1 5 ALA C C 4.202 -1.787 -0.976 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2x 1
. 12 . 2112 . 1 1 5 ALA CA C 4.007 -2.746 0.196 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2x 1
. 12 . 2113 . 1 1 5 ALA CB C 5.348 -3.296 0.660 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2x 1
. 12 . 2114 . 1 1 5 ALA H H 3.338 -4.407 -0.934 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2x 1
. 12 . 2115 . 1 1 5 ALA HA H 3.562 -2.206 1.020 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2x 1
. 12 . 2116 . 1 1 5 ALA HB1 H 5.979 -2.480 0.982 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2x 1
. 12 . 2117 . 1 1 5 ALA HB2 H 5.825 -3.818 -0.156 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2x 1
. 12 . 2118 . 1 1 5 ALA HB3 H 5.192 -3.978 1.483 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2x 1
. 12 . 2119 . 1 1 5 ALA N N 3.112 -3.843 -0.166 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2x 1
. 12 . 2120 . 1 1 5 ALA O O 4.489 -2.214 -2.094 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2x 1
. 12 . 2121 . 1 1 6 SER C C 3.155 0.433 -2.805 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2x 1
. 12 . 2122 . 1 1 6 SER CA C 4.189 0.560 -1.783 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2x 1
. 12 . 2123 . 1 1 6 SER CB C 5.624 0.534 -2.381 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2x 1
. 12 . 2124 . 1 1 6 SER H H 3.825 -0.216 0.208 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2x 1
. 12 . 2125 . 1 1 6 SER HB2 H 5.770 -0.375 -2.944 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2x 1
. 12 . 2126 . 1 1 6 SER HB3 H 5.761 1.385 -3.032 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2x 1
. 12 . 2127 . 1 1 6 SER N N 4.041 -0.488 -0.708 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2x 1
. 12 . 2128 . 1 1 7 . C C -0.133 1.049 -4.066 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2x 1
. 12 . 2129 . 1 1 7 . CA C 1.238 0.624 -3.869 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2x 1
. 12 . 2130 . 1 1 7 . CB C 1.948 -0.140 -4.841 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2x 1
. 12 . 2131 . 1 1 7 . HB H 1.558 -0.474 -5.790 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2x 1
. 12 . 2132 . 1 1 7 . N N 1.953 0.915 -2.760 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2x 1
. 12 . 2133 . 1 1 7 . O O -0.811 0.790 -5.062 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2x 1
. 12 . 2134 . 1 1 7 . SG S 3.499 -0.435 -4.256 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2x 1
. 12 . 2135 . 1 1 8 THR C C -1.939 3.805 -2.719 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2x 1
. 12 . 2136 . 1 1 8 THR CA C -1.951 2.314 -3.038 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2x 1
. 12 . 2137 . 1 1 8 THR CB C -2.856 1.580 -2.025 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2x 1
. 12 . 2138 . 1 1 8 THR CG2 C -2.250 1.604 -0.627 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2x 1
. 12 . 2139 . 1 1 8 THR H H -0.012 1.936 -2.276 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2x 1
. 12 . 2140 . 1 1 8 THR HA H -2.372 2.175 -4.026 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2x 1
. 12 . 2141 . 1 1 8 THR HB H -2.957 0.551 -2.337 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2x 1
. 12 . 2142 . 1 1 8 THR HG1 H -4.819 1.529 -2.210 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2x 1
. 12 . 2143 . 1 1 8 THR HG21 H -2.823 0.962 0.024 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2x 1
. 12 . 2144 . 1 1 8 THR HG22 H -2.267 2.613 -0.242 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2x 1
. 12 . 2145 . 1 1 8 THR HG23 H -1.230 1.253 -0.671 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2x 1
. 12 . 2146 . 1 1 8 THR N N -0.597 1.768 -3.044 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2x 1
. 12 . 2147 . 1 1 8 THR O O -0.923 4.347 -2.283 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2x 1
. 12 . 2148 . 1 1 8 THR OG1 O -4.153 2.186 -1.994 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2x 1
. 12 . 2149 . 1 1 9 DBU C C -3.823 6.313 -1.447 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2x 1
. 12 . 2150 . 1 1 9 DBU CA C -3.258 5.905 -2.755 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2x 1
. 12 . 2151 . 1 1 9 DBU CB C -2.956 6.820 -3.669 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2x 1
. 12 . 2152 . 1 1 9 DBU CG C -2.368 6.464 -5.043 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2x 1
. 12 . 2153 . 1 1 9 DBU HG1 H -2.206 7.369 -5.609 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2x 1
. 12 . 2154 . 1 1 9 DBU HG2 H -3.054 5.824 -5.574 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2x 1
. 12 . 2155 . 1 1 9 DBU HG3 H -1.427 5.951 -4.909 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2x 1
. 12 . 2156 . 1 1 9 DBU N N -3.071 4.464 -2.940 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2x 1
. 12 . 2157 . 1 1 10 . C C -5.044 5.424 1.786 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 C . . . . . . . . . rr_2l2x 1
. 12 . 2158 . 1 1 10 . CA C -4.622 6.112 0.582 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 CA . . . . . . . . . rr_2l2x 1
. 12 . 2159 . 1 1 10 . CB C -4.700 7.535 0.450 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 CB . . . . . . . . . rr_2l2x 1
. 12 . 2160 . 1 1 10 . HB H -5.066 8.219 1.202 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 HB . . . . . . . . . rr_2l2x 1
. 12 . 2161 . 1 1 10 . N N -4.126 5.478 -0.506 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 N . . . . . . . . . rr_2l2x 1
. 12 . 2162 . 1 1 10 . O O -5.502 5.984 2.783 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 O . . . . . . . . . rr_2l2x 1
. 12 . 2163 . 1 1 10 . SG S -4.125 7.965 -1.073 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 SG . . . . . . . . . rr_2l2x 1
. 12 . 2164 . 1 1 11 . C C -4.008 3.019 3.723 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2x 1
. 12 . 2165 . 1 1 11 . CA C -5.234 3.233 2.832 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2x 1
. 12 . 2166 . 1 1 11 . CB C -5.819 1.870 2.319 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2x 1
. 12 . 2167 . 1 1 11 . CD1 C -7.770 1.007 0.803 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2x 1
. 12 . 2168 . 1 1 11 . CG1 C -7.059 2.206 1.419 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2x 1
. 12 . 2169 . 1 1 11 . CG2 C -6.219 0.996 3.469 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2x 1
. 12 . 2170 . 1 1 11 . H H -4.527 3.710 0.891 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2x 1
. 12 . 2171 . 1 1 11 . HA H -5.995 3.739 3.407 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2x 1
. 12 . 2172 . 1 1 11 . HD11 H -7.058 0.402 0.265 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2x 1
. 12 . 2173 . 1 1 11 . HD12 H -8.535 1.353 0.123 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2x 1
. 12 . 2174 . 1 1 11 . HD13 H -8.224 0.417 1.585 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2x 1
. 12 . 2175 . 1 1 11 . HD2 H -8.833 2.475 2.239 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2x 1
. 12 . 2176 . 1 1 11 . HG1 H -6.749 2.857 0.616 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2x 1
. 12 . 2177 . 1 1 11 . HG21 H -6.683 0.095 3.095 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2x 1
. 12 . 2178 . 1 1 11 . HG22 H -6.920 1.525 4.098 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2x 1
. 12 . 2179 . 1 1 11 . HG23 H -5.345 0.733 4.046 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2x 1
. 12 . 2180 . 1 1 11 . HG3 H -4.810 1.604 0.662 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2x 1
. 12 . 2181 . 1 1 11 . N N -4.885 4.105 1.714 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2x 1
. 12 . 2182 . 1 1 11 . OD2 O -7.980 2.916 2.256 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2x 1
. 12 . 2183 . 1 1 11 . OG3 O -4.842 1.209 1.537 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2x 1
. 12 . 2184 . 1 1 12 . C C -0.651 1.899 4.215 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2x 1
. 12 . 2185 . 1 1 12 . CA C -1.990 2.438 4.356 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2x 1
. 12 . 2186 . 1 1 12 . CB C -2.474 2.959 5.598 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2x 1
. 12 . 2187 . 1 1 12 . HB H -1.919 3.004 6.522 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2x 1
. 12 . 2188 . 1 1 12 . N N -2.886 2.496 3.342 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2x 1
. 12 . 2189 . 1 1 12 . O O 0.178 1.851 5.125 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2x 1
. 12 . 2190 . 1 1 12 . SG S -4.056 3.489 5.376 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2x 1
. 12 . 2191 . 1 1 13 THR C C 1.468 1.610 1.409 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2x 1
. 12 . 2192 . 1 1 13 THR CA C 0.902 0.887 2.628 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2x 1
. 12 . 2193 . 1 1 13 THR CB C 0.809 -0.632 2.372 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2x 1
. 12 . 2194 . 1 1 13 THR CG2 C 0.387 -1.379 3.627 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2x 1
. 12 . 2195 . 1 1 13 THR H H -1.103 1.497 2.307 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2x 1
. 12 . 2196 . 1 1 13 THR HA H 1.568 1.038 3.463 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2x 1
. 12 . 2197 . 1 1 13 THR HB H 1.772 -1.005 2.050 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2x 1
. 12 . 2198 . 1 1 13 THR HG21 H -0.577 -1.019 3.953 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2x 1
. 12 . 2199 . 1 1 13 THR HG22 H 1.116 -1.213 4.406 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2x 1
. 12 . 2200 . 1 1 13 THR HG23 H 0.324 -2.436 3.413 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2x 1
. 12 . 2201 . 1 1 13 THR N N -0.399 1.450 2.988 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2x 1
. 12 . 2202 . 1 1 13 THR OG1 O -0.225 -0.918 1.347 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2x 1
. 12 . 2203 . 1 1 14 . C C 4.085 1.937 -1.029 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2x 1
. 12 . 2204 . 1 1 14 . CA C 2.829 2.128 -0.227 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2x 1
. 12 . 2205 . 1 1 14 . CB C 1.817 3.113 -0.456 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2x 1
. 12 . 2206 . 1 1 14 . HB H 1.823 3.852 -1.243 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2x 1
. 12 . 2207 . 1 1 14 . N N 2.585 1.318 0.826 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2x 1
. 12 . 2208 . 1 1 14 . SG S 0.613 2.925 0.707 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2x 1
. 12 . 2209 . 1 1 15 . C C 7.294 1.771 0.856 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2x 1
. 12 . 2210 . 1 1 15 . CA C 6.284 1.511 -0.191 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2x 1
. 12 . 2211 . 1 1 15 . CB C 6.668 0.590 -1.270 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2x 1
. 12 . 2212 . 1 1 15 . HB2 H 6.785 -0.401 -0.861 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2x 1
. 12 . 2213 . 1 1 15 . HB3 H 7.607 0.909 -1.701 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2x 1
. 12 . 2214 . 1 1 15 . N N 5.162 2.123 -0.043 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2x 1
. 12 . 2215 . 1 1 16 . C C 10.547 1.206 2.195 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2x 1
. 12 . 2216 . 1 1 16 . CA C 9.192 1.647 1.934 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2x 1
. 12 . 2217 . 1 1 16 . CB C 8.502 2.558 2.797 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2x 1
. 12 . 2218 . 1 1 16 . HB H 8.901 2.997 3.699 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2x 1
. 12 . 2219 . 1 1 16 . N N 8.471 1.239 0.867 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2x 1
. 12 . 2220 . 1 1 16 . O O 11.217 1.563 3.163 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2x 1
. 12 . 2221 . 1 1 16 . SG S 6.962 2.828 2.169 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2x 1
. 12 . 2222 . 1 1 17 DHA C C 12.536 -1.067 0.015 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2x 1
. 12 . 2223 . 1 1 17 DHA CA C 12.320 -0.289 1.231 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2x 1
. 12 . 2224 . 1 1 17 DHA CB C 13.244 -0.205 2.182 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2x 1
. 12 . 2225 . 1 1 17 DHA H H 10.388 0.174 0.516 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2x 1
. 12 . 2226 . 1 1 17 DHA HB1 H 13.055 0.379 3.067 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2x 1
. 12 . 2227 . 1 1 17 DHA HB2 H 14.184 -0.718 2.072 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2x 1
. 12 . 2228 . 1 1 17 DHA N N 10.998 0.366 1.258 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2x 1
. 12 . 2229 . 1 1 17 DHA O O 11.623 -1.083 -0.810 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2x 1
. 12 . 2230 . 1 1 18 NH2 HN1 H 13.806 -2.240 -0.994 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . rr_2l2x 1
. 12 . 2231 . 1 1 18 NH2 HN2 H 14.379 -1.683 0.510 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . rr_2l2x 1
. 12 . 2232 . 1 1 18 NH2 N N 13.680 -1.723 -0.172 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . rr_2l2x 1
. 13 . 2233 . 1 1 1 QUA C10 C -3.141 -2.384 -2.315 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2x 1
. 13 . 2234 . 1 1 1 QUA C11 C 0.137 -1.186 0.091 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2x 1
. 13 . 2235 . 1 1 1 QUA C13 C -1.608 -2.690 -4.339 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2x 1
. 13 . 2236 . 1 1 1 QUA C14 C -1.492 -4.200 -4.491 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2x 1
. 13 . 2237 . 1 1 1 QUA C2 C -1.035 -1.605 -0.740 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2x 1
. 13 . 2238 . 1 1 1 QUA C3 C -0.789 -1.931 -2.067 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2x 1
. 13 . 2239 . 1 1 1 QUA C4 C -1.856 -2.328 -2.874 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2x 1
. 13 . 2240 . 1 1 1 QUA C5 C -4.325 -2.793 -3.088 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2x 1
. 13 . 2241 . 1 1 1 QUA C6 C -5.435 -3.137 -2.508 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2x 1
. 13 . 2242 . 1 1 1 QUA C7 C -5.589 -3.145 -0.982 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2x 1
. 13 . 2243 . 1 1 1 QUA C8 C -4.665 -2.086 -0.321 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2x 1
. 13 . 2244 . 1 1 1 QUA C9 C -3.290 -2.041 -0.980 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2x 1
. 13 . 2245 . 1 1 1 QUA H13 H -2.436 -2.352 -4.940 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2x 1
. 13 . 2246 . 1 1 1 QUA H141 H -2.409 -4.666 -4.162 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2x 1
. 13 . 2247 . 1 1 1 QUA H142 H -0.670 -4.560 -3.889 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2x 1
. 13 . 2248 . 1 1 1 QUA H143 H -1.315 -4.444 -5.528 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2x 1
. 13 . 2249 . 1 1 1 QUA H15 H -0.619 -1.517 -5.578 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2x 1
. 13 . 2250 . 1 1 1 QUA H16 H -6.098 -0.870 -0.915 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2x 1
. 13 . 2251 . 1 1 1 QUA HC3 H 0.212 -1.878 -2.468 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2x 1
. 13 . 2252 . 1 1 1 QUA HC5 H -4.274 -2.807 -4.166 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2x 1
. 13 . 2253 . 1 1 1 QUA HC6 H -6.276 -3.428 -3.121 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2x 1
. 13 . 2254 . 1 1 1 QUA HC71 H -6.612 -2.925 -0.721 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2x 1
. 13 . 2255 . 1 1 1 QUA HC8 H -4.551 -2.345 0.722 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2x 1
. 13 . 2256 . 1 1 1 QUA N1 N -2.269 -1.651 -0.171 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2x 1
. 13 . 2257 . 1 1 1 QUA O12 O 1.284 -1.115 -0.349 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2x 1
. 13 . 2258 . 1 1 1 QUA O15 O -0.410 -2.074 -4.825 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2x 1
. 13 . 2259 . 1 1 1 QUA O16 O -5.293 -0.803 -0.396 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2x 1
. 13 . 2260 . 1 1 2 ILE C C -4.457 -5.177 1.739 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2x 1
. 13 . 2261 . 1 1 2 ILE CA C -5.666 -4.791 0.888 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2x 1
. 13 . 2262 . 1 1 2 ILE CB C -6.727 -5.909 0.977 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2x 1
. 13 . 2263 . 1 1 2 ILE CD1 C -7.114 -8.360 0.384 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2x 1
. 13 . 2264 . 1 1 2 ILE CG1 C -6.331 -7.097 0.094 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2x 1
. 13 . 2265 . 1 1 2 ILE CG2 C -8.094 -5.370 0.576 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2x 1
. 13 . 2266 . 1 1 2 ILE H H -4.307 -4.689 -0.625 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2x 1
. 13 . 2267 . 1 1 2 ILE HA H -6.096 -3.881 1.287 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2x 1
. 13 . 2268 . 1 1 2 ILE HB H -6.788 -6.237 2.004 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2x 1
. 13 . 2269 . 1 1 2 ILE HD11 H -6.976 -8.638 1.419 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2x 1
. 13 . 2270 . 1 1 2 ILE HD12 H -6.762 -9.157 -0.254 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2x 1
. 13 . 2271 . 1 1 2 ILE HD13 H -8.163 -8.185 0.196 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2x 1
. 13 . 2272 . 1 1 2 ILE HG12 H -6.497 -6.837 -0.942 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2x 1
. 13 . 2273 . 1 1 2 ILE HG13 H -5.284 -7.315 0.241 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2x 1
. 13 . 2274 . 1 1 2 ILE HG21 H -8.339 -4.515 1.190 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2x 1
. 13 . 2275 . 1 1 2 ILE HG22 H -8.841 -6.137 0.714 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2x 1
. 13 . 2276 . 1 1 2 ILE HG23 H -8.073 -5.070 -0.462 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2x 1
. 13 . 2277 . 1 1 2 ILE N N -5.268 -4.531 -0.527 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2x 1
. 13 . 2278 . 1 1 2 ILE O O -4.434 -4.943 2.948 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2x 1
. 13 . 2279 . 1 1 3 ALA C C -1.067 -6.251 0.788 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2x 1
. 13 . 2280 . 1 1 3 ALA CA C -2.228 -6.171 1.772 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2x 1
. 13 . 2281 . 1 1 3 ALA CB C -2.419 -7.509 2.471 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2x 1
. 13 . 2282 . 1 1 3 ALA H H -3.546 -5.943 0.133 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2x 1
. 13 . 2283 . 1 1 3 ALA HA H -2.001 -5.426 2.522 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2x 1
. 13 . 2284 . 1 1 3 ALA HB1 H -3.238 -7.435 3.172 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2x 1
. 13 . 2285 . 1 1 3 ALA HB2 H -1.515 -7.770 3.001 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2x 1
. 13 . 2286 . 1 1 3 ALA HB3 H -2.640 -8.270 1.738 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2x 1
. 13 . 2287 . 1 1 3 ALA N N -3.457 -5.771 1.094 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2x 1
. 13 . 2288 . 1 1 3 ALA O O -1.037 -7.131 -0.072 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2x 1
. 13 . 2289 . 1 1 4 DHA C C 1.951 -4.088 0.526 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2x 1
. 13 . 2290 . 1 1 4 DHA CA C 1.060 -5.138 0.058 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2x 1
. 13 . 2291 . 1 1 4 DHA CB C 1.323 -5.815 -1.049 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2x 1
. 13 . 2292 . 1 1 4 DHA H H -0.200 -4.728 1.702 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2x 1
. 13 . 2293 . 1 1 4 DHA HB1 H 0.650 -6.587 -1.386 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2x 1
. 13 . 2294 . 1 1 4 DHA HB2 H 2.212 -5.591 -1.620 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2x 1
. 13 . 2295 . 1 1 4 DHA N N -0.112 -5.330 0.933 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2x 1
. 13 . 2296 . 1 1 4 DHA O O 1.638 -3.505 1.563 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2x 1
. 13 . 2297 . 1 1 5 ALA C C 4.183 -1.761 -0.958 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2x 1
. 13 . 2298 . 1 1 5 ALA CA C 3.938 -2.707 0.214 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2x 1
. 13 . 2299 . 1 1 5 ALA CB C 5.255 -3.267 0.731 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2x 1
. 13 . 2300 . 1 1 5 ALA H H 3.257 -4.322 -0.970 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2x 1
. 13 . 2301 . 1 1 5 ALA HA H 3.469 -2.155 1.017 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2x 1
. 13 . 2302 . 1 1 5 ALA HB1 H 5.063 -3.935 1.559 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2x 1
. 13 . 2303 . 1 1 5 ALA HB2 H 5.887 -2.456 1.062 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2x 1
. 13 . 2304 . 1 1 5 ALA HB3 H 5.751 -3.809 -0.060 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2x 1
. 13 . 2305 . 1 1 5 ALA N N 3.045 -3.793 -0.173 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2x 1
. 13 . 2306 . 1 1 5 ALA O O 4.506 -2.202 -2.061 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2x 1
. 13 . 2307 . 1 1 6 SER C C 3.190 0.453 -2.825 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2x 1
. 13 . 2308 . 1 1 6 SER CA C 4.209 0.574 -1.789 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2x 1
. 13 . 2309 . 1 1 6 SER CB C 5.653 0.520 -2.361 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2x 1
. 13 . 2310 . 1 1 6 SER H H 3.783 -0.176 0.199 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2x 1
. 13 . 2311 . 1 1 6 SER HB2 H 5.792 -0.394 -2.919 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2x 1
. 13 . 2312 . 1 1 6 SER HB3 H 5.818 1.367 -3.010 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2x 1
. 13 . 2313 . 1 1 6 SER N N 4.024 -0.459 -0.707 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2x 1
. 13 . 2314 . 1 1 7 . C C -0.077 1.099 -4.126 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2x 1
. 13 . 2315 . 1 1 7 . CA C 1.288 0.659 -3.913 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2x 1
. 13 . 2316 . 1 1 7 . CB C 2.003 -0.118 -4.872 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2x 1
. 13 . 2317 . 1 1 7 . HB H 1.621 -0.452 -5.826 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2x 1
. 13 . 2318 . 1 1 7 . N N 1.991 0.947 -2.797 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2x 1
. 13 . 2319 . 1 1 7 . O O -0.743 0.848 -5.131 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2x 1
. 13 . 2320 . 1 1 7 . SG S 3.543 -0.426 -4.267 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2x 1
. 13 . 2321 . 1 1 8 THR C C -1.892 3.862 -2.807 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2x 1
. 13 . 2322 . 1 1 8 THR CA C -1.904 2.366 -3.114 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2x 1
. 13 . 2323 . 1 1 8 THR CB C -2.812 1.640 -2.098 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2x 1
. 13 . 2324 . 1 1 8 THR CG2 C -2.213 1.676 -0.699 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2x 1
. 13 . 2325 . 1 1 8 THR H H 0.027 1.980 -2.332 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2x 1
. 13 . 2326 . 1 1 8 THR HA H -2.318 2.220 -4.101 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2x 1
. 13 . 2327 . 1 1 8 THR HB H -2.910 0.608 -2.403 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2x 1
. 13 . 2328 . 1 1 8 THR HG1 H -4.511 2.175 -2.950 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2x 1
. 13 . 2329 . 1 1 8 THR HG21 H -1.189 1.337 -0.737 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2x 1
. 13 . 2330 . 1 1 8 THR HG22 H -2.782 1.030 -0.048 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2x 1
. 13 . 2331 . 1 1 8 THR HG23 H -2.243 2.687 -0.319 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2x 1
. 13 . 2332 . 1 1 8 THR N N -0.550 1.816 -3.107 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2x 1
. 13 . 2333 . 1 1 8 THR O O -0.859 4.422 -2.437 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2x 1
. 13 . 2334 . 1 1 8 THR OG1 O -4.112 2.244 -2.080 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2x 1
. 13 . 2335 . 1 1 9 DBU C C -3.806 6.334 -1.449 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2x 1
. 13 . 2336 . 1 1 9 DBU CA C -3.247 5.942 -2.766 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2x 1
. 13 . 2337 . 1 1 9 DBU CB C -2.964 6.867 -3.677 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2x 1
. 13 . 2338 . 1 1 9 DBU CG C -2.384 6.531 -5.058 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2x 1
. 13 . 2339 . 1 1 9 DBU HG1 H -1.434 6.034 -4.937 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2x 1
. 13 . 2340 . 1 1 9 DBU HG2 H -2.245 7.442 -5.620 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2x 1
. 13 . 2341 . 1 1 9 DBU HG3 H -3.067 5.881 -5.586 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2x 1
. 13 . 2342 . 1 1 9 DBU N N -3.045 4.504 -2.963 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2x 1
. 13 . 2343 . 1 1 10 . C C -5.015 5.406 1.777 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 C . . . . . . . . . rr_2l2x 1
. 13 . 2344 . 1 1 10 . CA C -4.598 6.108 0.580 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 CA . . . . . . . . . rr_2l2x 1
. 13 . 2345 . 1 1 10 . CB C -4.672 7.532 0.467 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 CB . . . . . . . . . rr_2l2x 1
. 13 . 2346 . 1 1 10 . HB H -5.033 8.207 1.228 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 HB . . . . . . . . . rr_2l2x 1
. 13 . 2347 . 1 1 10 . N N -4.107 5.487 -0.518 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 N . . . . . . . . . rr_2l2x 1
. 13 . 2348 . 1 1 10 . O O -5.456 5.953 2.788 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 O . . . . . . . . . rr_2l2x 1
. 13 . 2349 . 1 1 10 . SG S -4.103 7.980 -1.053 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 SG . . . . . . . . . rr_2l2x 1
. 13 . 2350 . 1 1 11 . C C -3.980 3.024 3.683 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2x 1
. 13 . 2351 . 1 1 11 . CA C -5.207 3.199 2.788 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2x 1
. 13 . 2352 . 1 1 11 . CB C -5.733 1.818 2.262 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2x 1
. 13 . 2353 . 1 1 11 . CD1 C -7.563 0.940 0.619 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2x 1
. 13 . 2354 . 1 1 11 . CG1 C -7.062 2.092 1.478 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2x 1
. 13 . 2355 . 1 1 11 . CG2 C -5.974 0.871 3.396 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2x 1
. 13 . 2356 . 1 1 11 . H H -4.550 3.702 0.839 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2x 1
. 13 . 2357 . 1 1 11 . HA H -5.991 3.674 3.360 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2x 1
. 13 . 2358 . 1 1 11 . HD11 H -7.525 0.021 1.185 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2x 1
. 13 . 2359 . 1 1 11 . HD12 H -6.940 0.848 -0.258 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2x 1
. 13 . 2360 . 1 1 11 . HD13 H -8.581 1.134 0.315 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2x 1
. 13 . 2361 . 1 1 11 . HD2 H -8.372 1.610 2.873 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2x 1
. 13 . 2362 . 1 1 11 . HG1 H -6.924 2.949 0.836 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2x 1
. 13 . 2363 . 1 1 11 . HG21 H -6.525 0.014 3.040 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2x 1
. 13 . 2364 . 1 1 11 . HG22 H -6.542 1.370 4.167 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2x 1
. 13 . 2365 . 1 1 11 . HG23 H -5.027 0.544 3.800 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2x 1
. 13 . 2366 . 1 1 11 . HG3 H -4.093 1.914 1.196 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2x 1
. 13 . 2367 . 1 1 11 . N N -4.878 4.086 1.677 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2x 1
. 13 . 2368 . 1 1 11 . OD2 O -8.051 2.416 2.463 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2x 1
. 13 . 2369 . 1 1 11 . OG3 O -4.776 1.265 1.377 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2x 1
. 13 . 2370 . 1 1 12 . C C -0.622 1.932 4.184 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2x 1
. 13 . 2371 . 1 1 12 . CA C -1.959 2.473 4.323 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2x 1
. 13 . 2372 . 1 1 12 . CB C -2.435 3.035 5.549 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2x 1
. 13 . 2373 . 1 1 12 . HB H -1.873 3.114 6.468 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2x 1
. 13 . 2374 . 1 1 12 . N N -2.860 2.492 3.316 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2x 1
. 13 . 2375 . 1 1 12 . O O 0.214 1.900 5.088 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2x 1
. 13 . 2376 . 1 1 12 . SG S -4.020 3.552 5.320 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2x 1
. 13 . 2377 . 1 1 13 THR C C 1.489 1.635 1.381 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2x 1
. 13 . 2378 . 1 1 13 THR CA C 0.920 0.906 2.596 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2x 1
. 13 . 2379 . 1 1 13 THR CB C 0.828 -0.612 2.337 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2x 1
. 13 . 2380 . 1 1 13 THR CG2 C 0.444 -1.363 3.602 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2x 1
. 13 . 2381 . 1 1 13 THR H H -1.089 1.501 2.285 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2x 1
. 13 . 2382 . 1 1 13 THR HA H 1.587 1.055 3.432 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2x 1
. 13 . 2383 . 1 1 13 THR HB H 1.784 -0.980 1.990 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2x 1
. 13 . 2384 . 1 1 13 THR HG21 H 0.349 -2.416 3.381 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2x 1
. 13 . 2385 . 1 1 13 THR HG22 H -0.499 -0.987 3.972 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2x 1
. 13 . 2386 . 1 1 13 THR HG23 H 1.208 -1.220 4.352 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2x 1
. 13 . 2387 . 1 1 13 THR N N -0.379 1.467 2.960 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2x 1
. 13 . 2388 . 1 1 13 THR OG1 O -0.230 -0.904 1.339 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2x 1
. 13 . 2389 . 1 1 14 . C C 4.110 1.960 -1.048 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2x 1
. 13 . 2390 . 1 1 14 . CA C 2.852 2.156 -0.251 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2x 1
. 13 . 2391 . 1 1 14 . CB C 1.843 3.145 -0.479 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2x 1
. 13 . 2392 . 1 1 14 . HB H 1.853 3.887 -1.263 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2x 1
. 13 . 2393 . 1 1 14 . N N 2.603 1.342 0.798 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2x 1
. 13 . 2394 . 1 1 14 . SG S 0.636 2.954 0.681 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2x 1
. 13 . 2395 . 1 1 15 . C C 7.303 1.789 0.870 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2x 1
. 13 . 2396 . 1 1 15 . CA C 6.295 1.515 -0.178 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2x 1
. 13 . 2397 . 1 1 15 . CB C 6.670 0.558 -1.228 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2x 1
. 13 . 2398 . 1 1 15 . HB2 H 6.741 -0.427 -0.797 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2x 1
. 13 . 2399 . 1 1 15 . HB3 H 7.631 0.833 -1.642 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2x 1
. 13 . 2400 . 1 1 15 . N N 5.185 2.153 -0.058 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2x 1
. 13 . 2401 . 1 1 16 . C C 10.520 1.161 2.272 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2x 1
. 13 . 2402 . 1 1 16 . CA C 9.184 1.643 1.977 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2x 1
. 13 . 2403 . 1 1 16 . CB C 8.523 2.622 2.786 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2x 1
. 13 . 2404 . 1 1 16 . HB H 8.932 3.089 3.670 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2x 1
. 13 . 2405 . 1 1 16 . N N 8.458 1.214 0.920 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2x 1
. 13 . 2406 . 1 1 16 . O O 11.206 1.553 3.215 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2x 1
. 13 . 2407 . 1 1 16 . SG S 7.001 2.922 2.127 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2x 1
. 13 . 2408 . 1 1 17 DHA C C 12.309 -1.491 0.365 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2x 1
. 13 . 2409 . 1 1 17 DHA CA C 12.219 -0.481 1.413 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2x 1
. 13 . 2410 . 1 1 17 DHA CB C 13.218 -0.254 2.258 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2x 1
. 13 . 2411 . 1 1 17 DHA H H 10.287 -0.019 0.703 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2x 1
. 13 . 2412 . 1 1 17 DHA HB1 H 13.121 0.499 3.021 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2x 1
. 13 . 2413 . 1 1 17 DHA HB2 H 14.132 -0.822 2.183 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2x 1
. 13 . 2414 . 1 1 17 DHA N N 10.922 0.224 1.408 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2x 1
. 13 . 2415 . 1 1 17 DHA O O 11.331 -1.627 -0.370 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2x 1
. 13 . 2416 . 1 1 18 NH2 HN1 H 13.454 -2.897 -0.485 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . rr_2l2x 1
. 13 . 2417 . 1 1 18 NH2 HN2 H 14.167 -2.083 0.831 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . rr_2l2x 1
. 13 . 2418 . 1 1 18 NH2 N N 13.413 -2.224 0.226 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . rr_2l2x 1
. 14 . 2419 . 1 1 1 QUA C10 C -3.038 -2.381 -2.368 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2x 1
. 14 . 2420 . 1 1 1 QUA C11 C 0.177 -1.196 0.125 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2x 1
. 14 . 2421 . 1 1 1 QUA C13 C -1.440 -2.785 -4.323 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2x 1
. 14 . 2422 . 1 1 1 QUA C14 C -1.363 -4.301 -4.429 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2x 1
. 14 . 2423 . 1 1 1 QUA C2 C -0.973 -1.608 -0.737 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2x 1
. 14 . 2424 . 1 1 1 QUA C3 C -0.686 -1.979 -2.045 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2x 1
. 14 . 2425 . 1 1 1 QUA C4 C -1.732 -2.373 -2.880 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2x 1
. 14 . 2426 . 1 1 1 QUA C5 C -4.204 -2.784 -3.171 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2x 1
. 14 . 2427 . 1 1 1 QUA C6 C -5.340 -3.090 -2.620 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2x 1
. 14 . 2428 . 1 1 1 QUA C7 C -5.540 -3.056 -1.100 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2x 1
. 14 . 2429 . 1 1 1 QUA C8 C -4.625 -1.986 -0.445 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2x 1
. 14 . 2430 . 1 1 1 QUA C9 C -3.226 -1.995 -1.050 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2x 1
. 14 . 2431 . 1 1 1 QUA H13 H -2.235 -2.440 -4.965 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2x 1
. 14 . 2432 . 1 1 1 QUA H141 H -1.150 -4.579 -5.450 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2x 1
. 14 . 2433 . 1 1 1 QUA H142 H -2.305 -4.732 -4.127 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2x 1
. 14 . 2434 . 1 1 1 QUA H143 H -0.577 -4.666 -3.785 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2x 1
. 14 . 2435 . 1 1 1 QUA H15 H 0.075 -2.667 -5.580 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2x 1
. 14 . 2436 . 1 1 1 QUA H16 H -4.606 -0.106 -1.038 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2x 1
. 14 . 2437 . 1 1 1 QUA HC3 H 0.330 -1.963 -2.408 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2x 1
. 14 . 2438 . 1 1 1 QUA HC5 H -4.119 -2.824 -4.247 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2x 1
. 14 . 2439 . 1 1 1 QUA HC6 H -6.169 -3.379 -3.251 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2x 1
. 14 . 2440 . 1 1 1 QUA HC71 H -6.569 -2.824 -0.874 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2x 1
. 14 . 2441 . 1 1 1 QUA HC8 H -4.558 -2.202 0.611 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2x 1
. 14 . 2442 . 1 1 1 QUA N1 N -2.227 -1.607 -0.214 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2x 1
. 14 . 2443 . 1 1 1 QUA O12 O 1.337 -1.138 -0.281 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2x 1
. 14 . 2444 . 1 1 1 QUA O15 O -0.207 -2.217 -4.781 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2x 1
. 14 . 2445 . 1 1 1 QUA O16 O -5.225 -0.695 -0.602 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2x 1
. 14 . 2446 . 1 1 2 ILE C C -4.468 -4.957 1.707 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2x 1
. 14 . 2447 . 1 1 2 ILE CA C -5.664 -4.649 0.813 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2x 1
. 14 . 2448 . 1 1 2 ILE CB C -6.683 -5.803 0.917 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2x 1
. 14 . 2449 . 1 1 2 ILE CD1 C -7.015 -8.265 0.321 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2x 1
. 14 . 2450 . 1 1 2 ILE CG1 C -6.220 -7.000 0.077 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2x 1
. 14 . 2451 . 1 1 2 ILE CG2 C -8.058 -5.329 0.470 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2x 1
. 14 . 2452 . 1 1 2 ILE H H -4.274 -4.597 -0.675 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2x 1
. 14 . 2453 . 1 1 2 ILE HA H -6.140 -3.742 1.165 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2x 1
. 14 . 2454 . 1 1 2 ILE HB H -6.752 -6.102 1.952 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2x 1
. 14 . 2455 . 1 1 2 ILE HD11 H -6.973 -8.521 1.370 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2x 1
. 14 . 2456 . 1 1 2 ILE HD12 H -6.595 -9.072 -0.262 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2x 1
. 14 . 2457 . 1 1 2 ILE HD13 H -8.042 -8.108 0.030 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2x 1
. 14 . 2458 . 1 1 2 ILE HG12 H -6.311 -6.751 -0.969 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2x 1
. 14 . 2459 . 1 1 2 ILE HG13 H -5.184 -7.210 0.302 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2x 1
. 14 . 2460 . 1 1 2 ILE HG21 H -8.781 -6.114 0.634 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2x 1
. 14 . 2461 . 1 1 2 ILE HG22 H -8.030 -5.081 -0.580 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2x 1
. 14 . 2462 . 1 1 2 ILE HG23 H -8.340 -4.455 1.039 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2x 1
. 14 . 2463 . 1 1 2 ILE N N -5.237 -4.430 -0.600 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2x 1
. 14 . 2464 . 1 1 2 ILE O O -4.454 -4.608 2.888 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2x 1
. 14 . 2465 . 1 1 3 ALA C C -1.077 -6.132 0.898 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2x 1
. 14 . 2466 . 1 1 3 ALA CA C -2.246 -5.952 1.858 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2x 1
. 14 . 2467 . 1 1 3 ALA CB C -2.452 -7.213 2.683 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2x 1
. 14 . 2468 . 1 1 3 ALA H H -3.549 -5.882 0.194 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2x 1
. 14 . 2469 . 1 1 3 ALA HA H -2.023 -5.139 2.534 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2x 1
. 14 . 2470 . 1 1 3 ALA HB1 H -1.562 -7.414 3.262 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2x 1
. 14 . 2471 . 1 1 3 ALA HB2 H -2.648 -8.046 2.025 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2x 1
. 14 . 2472 . 1 1 3 ALA HB3 H -3.291 -7.076 3.350 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2x 1
. 14 . 2473 . 1 1 3 ALA N N -3.466 -5.615 1.132 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2x 1
. 14 . 2474 . 1 1 3 ALA O O -1.053 -7.079 0.112 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2x 1
. 14 . 2475 . 1 1 4 DHA C C 1.988 -4.058 0.521 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2x 1
. 14 . 2476 . 1 1 4 DHA CA C 1.074 -5.111 0.109 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2x 1
. 14 . 2477 . 1 1 4 DHA CB C 1.333 -5.869 -0.946 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2x 1
. 14 . 2478 . 1 1 4 DHA H H -0.202 -4.550 1.693 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2x 1
. 14 . 2479 . 1 1 4 DHA HB1 H 0.645 -6.645 -1.238 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2x 1
. 14 . 2480 . 1 1 4 DHA HB2 H 2.236 -5.709 -1.515 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2x 1
. 14 . 2481 . 1 1 4 DHA N N -0.111 -5.215 0.979 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2x 1
. 14 . 2482 . 1 1 4 DHA O O 1.678 -3.405 1.518 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2x 1
. 14 . 2483 . 1 1 5 ALA C C 4.188 -1.784 -1.013 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2x 1
. 14 . 2484 . 1 1 5 ALA CA C 4.016 -2.749 0.156 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2x 1
. 14 . 2485 . 1 1 5 ALA CB C 5.361 -3.325 0.571 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2x 1
. 14 . 2486 . 1 1 5 ALA H H 3.290 -4.395 -0.960 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2x 1
. 14 . 2487 . 1 1 5 ALA HA H 3.606 -2.210 0.998 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2x 1
. 14 . 2488 . 1 1 5 ALA HB1 H 5.804 -3.846 -0.266 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2x 1
. 14 . 2489 . 1 1 5 ALA HB2 H 5.221 -4.014 1.391 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2x 1
. 14 . 2490 . 1 1 5 ALA HB3 H 6.015 -2.523 0.883 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2x 1
. 14 . 2491 . 1 1 5 ALA N N 3.092 -3.827 -0.186 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2x 1
. 14 . 2492 . 1 1 5 ALA O O 4.475 -2.204 -2.135 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2x 1
. 14 . 2493 . 1 1 6 SER C C 3.147 0.444 -2.843 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2x 1
. 14 . 2494 . 1 1 6 SER CA C 4.170 0.565 -1.810 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2x 1
. 14 . 2495 . 1 1 6 SER CB C 5.611 0.538 -2.393 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2x 1
. 14 . 2496 . 1 1 6 SER H H 3.777 -0.220 0.171 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2x 1
. 14 . 2497 . 1 1 6 SER HB2 H 5.758 -0.366 -2.964 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2x 1
. 14 . 2498 . 1 1 6 SER HB3 H 5.760 1.396 -3.033 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2x 1
. 14 . 2499 . 1 1 6 SER N N 4.012 -0.486 -0.741 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2x 1
. 14 . 2500 . 1 1 7 . C C -0.130 1.073 -4.129 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2x 1
. 14 . 2501 . 1 1 7 . CA C 1.240 0.643 -3.924 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2x 1
. 14 . 2502 . 1 1 7 . CB C 1.959 -0.116 -4.894 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2x 1
. 14 . 2503 . 1 1 7 . HB H 1.578 -0.445 -5.850 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2x 1
. 14 . 2504 . 1 1 7 . N N 1.945 0.927 -2.808 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2x 1
. 14 . 2505 . 1 1 7 . O O -0.796 0.826 -5.134 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2x 1
. 14 . 2506 . 1 1 7 . SG S 3.503 -0.415 -4.295 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2x 1
. 14 . 2507 . 1 1 8 THR C C -1.958 3.811 -2.793 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2x 1
. 14 . 2508 . 1 1 8 THR CA C -1.962 2.315 -3.099 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2x 1
. 14 . 2509 . 1 1 8 THR CB C -2.859 1.584 -2.077 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2x 1
. 14 . 2510 . 1 1 8 THR CG2 C -2.257 1.636 -0.679 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2x 1
. 14 . 2511 . 1 1 8 THR H H -0.026 1.935 -2.327 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2x 1
. 14 . 2512 . 1 1 8 THR HA H -2.382 2.165 -4.083 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2x 1
. 14 . 2513 . 1 1 8 THR HB H -2.943 0.549 -2.375 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2x 1
. 14 . 2514 . 1 1 8 THR HG1 H -4.758 1.615 -1.544 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2x 1
. 14 . 2515 . 1 1 8 THR HG21 H -1.246 1.259 -0.707 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2x 1
. 14 . 2516 . 1 1 8 THR HG22 H -2.849 1.028 -0.011 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2x 1
. 14 . 2517 . 1 1 8 THR HG23 H -2.251 2.657 -0.325 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2x 1
. 14 . 2518 . 1 1 8 THR N N -0.605 1.776 -3.102 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2x 1
. 14 . 2519 . 1 1 8 THR O O -0.926 4.378 -2.434 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2x 1
. 14 . 2520 . 1 1 8 THR OG1 O -4.166 2.169 -2.060 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2x 1
. 14 . 2521 . 1 1 9 DBU C C -3.824 6.295 -1.422 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2x 1
. 14 . 2522 . 1 1 9 DBU CA C -3.323 5.884 -2.756 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2x 1
. 14 . 2523 . 1 1 9 DBU CB C -3.089 6.796 -3.694 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2x 1
. 14 . 2524 . 1 1 9 DBU CG C -2.573 6.438 -5.095 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2x 1
. 14 . 2525 . 1 1 9 DBU HG1 H -1.619 5.937 -5.010 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2x 1
. 14 . 2526 . 1 1 9 DBU HG2 H -2.455 7.340 -5.677 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2x 1
. 14 . 2527 . 1 1 9 DBU HG3 H -3.281 5.784 -5.583 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2x 1
. 14 . 2528 . 1 1 9 DBU N N -3.118 4.445 -2.939 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2x 1
. 14 . 2529 . 1 1 10 . C C -4.952 5.410 1.846 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 C . . . . . . . . . rr_2l2x 1
. 14 . 2530 . 1 1 10 . CA C -4.551 6.097 0.634 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 CA . . . . . . . . . rr_2l2x 1
. 14 . 2531 . 1 1 10 . CB C -4.582 7.523 0.522 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 CB . . . . . . . . . rr_2l2x 1
. 14 . 2532 . 1 1 10 . HB H -4.894 8.209 1.294 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 HB . . . . . . . . . rr_2l2x 1
. 14 . 2533 . 1 1 10 . N N -4.119 5.460 -0.479 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 N . . . . . . . . . rr_2l2x 1
. 14 . 2534 . 1 1 10 . O O -5.336 5.975 2.871 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 O . . . . . . . . . rr_2l2x 1
. 14 . 2535 . 1 1 10 . SG S -4.051 7.952 -1.018 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 SG . . . . . . . . . rr_2l2x 1
. 14 . 2536 . 1 1 11 . C C -4.037 2.967 3.753 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2x 1
. 14 . 2537 . 1 1 11 . CA C -5.248 3.214 2.853 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2x 1
. 14 . 2538 . 1 1 11 . CB C -5.851 1.865 2.327 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2x 1
. 14 . 2539 . 1 1 11 . CD1 C -7.742 1.032 0.724 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2x 1
. 14 . 2540 . 1 1 11 . CG1 C -6.990 2.221 1.307 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2x 1
. 14 . 2541 . 1 1 11 . CG2 C -6.392 1.049 3.459 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2x 1
. 14 . 2542 . 1 1 11 . H H -4.547 3.688 0.910 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2x 1
. 14 . 2543 . 1 1 11 . HA H -6.006 3.731 3.425 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2x 1
. 14 . 2544 . 1 1 11 . HD11 H -7.038 0.286 0.391 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2x 1
. 14 . 2545 . 1 1 11 . HD12 H -8.339 1.361 -0.115 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2x 1
. 14 . 2546 . 1 1 11 . HD13 H -8.388 0.608 1.479 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2x 1
. 14 . 2547 . 1 1 11 . HD2 H -8.811 2.768 1.834 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2x 1
. 14 . 2548 . 1 1 11 . HG1 H -6.571 2.786 0.489 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2x 1
. 14 . 2549 . 1 1 11 . HG21 H -5.604 0.842 4.166 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2x 1
. 14 . 2550 . 1 1 11 . HG22 H -6.785 0.118 3.079 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2x 1
. 14 . 2551 . 1 1 11 . HG23 H -7.181 1.597 3.952 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2x 1
. 14 . 2552 . 1 1 11 . HG3 H -5.097 0.213 1.596 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2x 1
. 14 . 2553 . 1 1 11 . N N -4.870 4.087 1.745 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2x 1
. 14 . 2554 . 1 1 11 . OD2 O -7.914 3.057 2.016 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2x 1
. 14 . 2555 . 1 1 11 . OG3 O -4.840 1.136 1.655 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2x 1
. 14 . 2556 . 1 1 12 . C C -0.680 1.855 4.234 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2x 1
. 14 . 2557 . 1 1 12 . CA C -2.025 2.374 4.385 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2x 1
. 14 . 2558 . 1 1 12 . CB C -2.530 2.825 5.645 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2x 1
. 14 . 2559 . 1 1 12 . HB H -1.988 2.828 6.578 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2x 1
. 14 . 2560 . 1 1 12 . N N -2.906 2.475 3.364 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2x 1
. 14 . 2561 . 1 1 12 . O O 0.137 1.763 5.151 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2x 1
. 14 . 2562 . 1 1 12 . SG S -4.114 3.352 5.428 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2x 1
. 14 . 2563 . 1 1 13 THR C C 1.452 1.630 1.392 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2x 1
. 14 . 2564 . 1 1 13 THR CA C 0.894 0.919 2.622 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2x 1
. 14 . 2565 . 1 1 13 THR CB C 0.809 -0.604 2.386 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2x 1
. 14 . 2566 . 1 1 13 THR CG2 C 0.390 -1.337 3.651 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2x 1
. 14 . 2567 . 1 1 13 THR H H -1.096 1.573 2.296 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2x 1
. 14 . 2568 . 1 1 13 THR HA H 1.565 1.084 3.452 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2x 1
. 14 . 2569 . 1 1 13 THR HB H 1.774 -0.976 2.071 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2x 1
. 14 . 2570 . 1 1 13 THR HG21 H 0.423 -2.402 3.478 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2x 1
. 14 . 2571 . 1 1 13 THR HG22 H -0.616 -1.047 3.918 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2x 1
. 14 . 2572 . 1 1 13 THR HG23 H 1.064 -1.081 4.456 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2x 1
. 14 . 2573 . 1 1 13 THR N N -0.407 1.475 2.986 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2x 1
. 14 . 2574 . 1 1 13 THR OG1 O -0.221 -0.908 1.362 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2x 1
. 14 . 2575 . 1 1 14 . C C 4.065 1.941 -1.052 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2x 1
. 14 . 2576 . 1 1 14 . CA C 2.806 2.134 -0.255 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2x 1
. 14 . 2577 . 1 1 14 . CB C 1.788 3.109 -0.497 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2x 1
. 14 . 2578 . 1 1 14 . HB H 1.788 3.837 -1.294 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2x 1
. 14 . 2579 . 1 1 14 . N N 2.569 1.337 0.811 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2x 1
. 14 . 2580 . 1 1 14 . SG S 0.585 2.929 0.670 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2x 1
. 14 . 2581 . 1 1 15 . C C 7.257 1.759 0.861 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2x 1
. 14 . 2582 . 1 1 15 . CA C 6.254 1.502 -0.195 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2x 1
. 14 . 2583 . 1 1 15 . CB C 6.639 0.576 -1.269 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2x 1
. 14 . 2584 . 1 1 15 . HB2 H 6.737 -0.416 -0.860 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2x 1
. 14 . 2585 . 1 1 15 . HB3 H 7.590 0.882 -1.686 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2x 1
. 14 . 2586 . 1 1 15 . N N 5.137 2.123 -0.058 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2x 1
. 14 . 2587 . 1 1 16 . C C 10.495 1.170 2.223 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2x 1
. 14 . 2588 . 1 1 16 . CA C 9.146 1.623 1.954 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2x 1
. 14 . 2589 . 1 1 16 . CB C 8.458 2.542 2.809 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2x 1
. 14 . 2590 . 1 1 16 . HB H 8.854 2.981 3.713 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2x 1
. 14 . 2591 . 1 1 16 . N N 8.429 1.218 0.882 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2x 1
. 14 . 2592 . 1 1 16 . O O 11.165 1.521 3.193 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2x 1
. 14 . 2593 . 1 1 16 . SG S 6.924 2.824 2.169 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2x 1
. 14 . 2594 . 1 1 17 DHA C C 12.463 -1.121 0.049 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2x 1
. 14 . 2595 . 1 1 17 DHA CA C 12.261 -0.332 1.259 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2x 1
. 14 . 2596 . 1 1 17 DHA CB C 13.192 -0.244 2.202 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2x 1
. 14 . 2597 . 1 1 17 DHA H H 10.328 0.131 0.551 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2x 1
. 14 . 2598 . 1 1 17 DHA HB1 H 13.013 0.349 3.085 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2x 1
. 14 . 2599 . 1 1 17 DHA HB2 H 14.131 -0.760 2.090 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2x 1
. 14 . 2600 . 1 1 17 DHA N N 10.941 0.325 1.290 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2x 1
. 14 . 2601 . 1 1 17 DHA O O 11.541 -1.140 -0.768 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2x 1
. 14 . 2602 . 1 1 18 NH2 HN1 H 13.717 -2.306 -0.964 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . rr_2l2x 1
. 14 . 2603 . 1 1 18 NH2 HN2 H 14.307 -1.740 0.529 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . rr_2l2x 1
. 14 . 2604 . 1 1 18 NH2 N N 13.602 -1.782 -0.144 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . rr_2l2x 1
. 15 . 2605 . 1 1 1 QUA C10 C -3.067 -2.432 -2.321 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2x 1
. 15 . 2606 . 1 1 1 QUA C11 C 0.172 -1.209 0.127 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2x 1
. 15 . 2607 . 1 1 1 QUA C13 C -1.487 -2.826 -4.292 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2x 1
. 15 . 2608 . 1 1 1 QUA C14 C -1.396 -4.343 -4.388 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2x 1
. 15 . 2609 . 1 1 1 QUA C2 C -0.986 -1.635 -0.720 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2x 1
. 15 . 2610 . 1 1 1 QUA C3 C -0.714 -2.006 -2.029 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2x 1
. 15 . 2611 . 1 1 1 QUA C4 C -1.765 -2.412 -2.849 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2x 1
. 15 . 2612 . 1 1 1 QUA C5 C -4.236 -2.848 -3.111 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2x 1
. 15 . 2613 . 1 1 1 QUA C6 C -5.365 -3.158 -2.549 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2x 1
. 15 . 2614 . 1 1 1 QUA C7 C -5.560 -3.112 -1.028 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2x 1
. 15 . 2615 . 1 1 1 QUA C8 C -4.634 -2.047 -0.377 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2x 1
. 15 . 2616 . 1 1 1 QUA C9 C -3.242 -2.045 -1.002 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2x 1
. 15 . 2617 . 1 1 1 QUA H13 H -2.294 -2.494 -4.927 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2x 1
. 15 . 2618 . 1 1 1 QUA H141 H -1.196 -4.629 -5.410 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2x 1
. 15 . 2619 . 1 1 1 QUA H142 H -2.331 -4.780 -4.068 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2x 1
. 15 . 2620 . 1 1 1 QUA H143 H -0.598 -4.696 -3.752 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2x 1
. 15 . 2621 . 1 1 1 QUA H15 H 0.362 -2.948 -4.973 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2x 1
. 15 . 2622 . 1 1 1 QUA H16 H -6.184 -0.859 -0.639 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2x 1
. 15 . 2623 . 1 1 1 QUA HC3 H 0.298 -1.980 -2.406 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2x 1
. 15 . 2624 . 1 1 1 QUA HC5 H -4.158 -2.898 -4.186 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2x 1
. 15 . 2625 . 1 1 1 QUA HC6 H -6.195 -3.456 -3.173 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2x 1
. 15 . 2626 . 1 1 1 QUA HC71 H -6.586 -2.865 -0.802 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2x 1
. 15 . 2627 . 1 1 1 QUA HC8 H -4.548 -2.272 0.676 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2x 1
. 15 . 2628 . 1 1 1 QUA N1 N -2.234 -1.644 -0.181 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2x 1
. 15 . 2629 . 1 1 1 QUA O12 O 1.327 -1.153 -0.289 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2x 1
. 15 . 2630 . 1 1 1 QUA O15 O -0.264 -2.250 -4.768 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2x 1
. 15 . 2631 . 1 1 1 QUA O16 O -5.239 -0.757 -0.509 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2x 1
. 15 . 2632 . 1 1 2 ILE C C -4.447 -5.051 1.760 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2x 1
. 15 . 2633 . 1 1 2 ILE CA C -5.660 -4.672 0.913 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2x 1
. 15 . 2634 . 1 1 2 ILE CB C -6.755 -5.751 1.072 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2x 1
. 15 . 2635 . 1 1 2 ILE CD1 C -7.290 -8.212 0.653 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2x 1
. 15 . 2636 . 1 1 2 ILE CG1 C -6.313 -7.075 0.432 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2x 1
. 15 . 2637 . 1 1 2 ILE CG2 C -8.057 -5.264 0.453 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2x 1
. 15 . 2638 . 1 1 2 ILE H H -4.327 -4.685 -0.626 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2x 1
. 15 . 2639 . 1 1 2 ILE HA H -6.059 -3.732 1.275 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2x 1
. 15 . 2640 . 1 1 2 ILE HB H -6.923 -5.907 2.126 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2x 1
. 15 . 2641 . 1 1 2 ILE HD11 H -8.166 -8.059 0.040 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2x 1
. 15 . 2642 . 1 1 2 ILE HD12 H -7.579 -8.240 1.693 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2x 1
. 15 . 2643 . 1 1 2 ILE HD13 H -6.821 -9.147 0.384 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2x 1
. 15 . 2644 . 1 1 2 ILE HG12 H -6.208 -6.934 -0.633 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2x 1
. 15 . 2645 . 1 1 2 ILE HG13 H -5.361 -7.371 0.847 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2x 1
. 15 . 2646 . 1 1 2 ILE HG21 H -7.960 -5.244 -0.622 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2x 1
. 15 . 2647 . 1 1 2 ILE HG22 H -8.275 -4.269 0.812 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2x 1
. 15 . 2648 . 1 1 2 ILE HG23 H -8.860 -5.930 0.731 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2x 1
. 15 . 2649 . 1 1 2 ILE N N -5.280 -4.489 -0.518 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2x 1
. 15 . 2650 . 1 1 2 ILE O O -4.425 -4.820 2.969 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2x 1
. 15 . 2651 . 1 1 3 ALA C C -1.060 -6.166 0.799 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2x 1
. 15 . 2652 . 1 1 3 ALA CA C -2.216 -6.041 1.789 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2x 1
. 15 . 2653 . 1 1 3 ALA CB C -2.430 -7.359 2.519 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2x 1
. 15 . 2654 . 1 1 3 ALA H H -3.525 -5.788 0.146 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2x 1
. 15 . 2655 . 1 1 3 ALA HA H -1.970 -5.284 2.521 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2x 1
. 15 . 2656 . 1 1 3 ALA HB1 H -3.240 -7.252 3.224 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2x 1
. 15 . 2657 . 1 1 3 ALA HB2 H -1.528 -7.630 3.044 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2x 1
. 15 . 2658 . 1 1 3 ALA HB3 H -2.676 -8.130 1.804 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2x 1
. 15 . 2659 . 1 1 3 ALA N N -3.441 -5.632 1.109 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2x 1
. 15 . 2660 . 1 1 3 ALA O O -1.068 -7.048 -0.060 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2x 1
. 15 . 2661 . 1 1 4 DHA C C 2.011 -4.081 0.488 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2x 1
. 15 . 2662 . 1 1 4 DHA CA C 1.113 -5.144 0.065 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2x 1
. 15 . 2663 . 1 1 4 DHA CB C 1.382 -5.885 -1.001 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2x 1
. 15 . 2664 . 1 1 4 DHA H H -0.145 -4.655 1.689 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2x 1
. 15 . 2665 . 1 1 4 DHA HB1 H 0.706 -6.668 -1.304 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2x 1
. 15 . 2666 . 1 1 4 DHA HB2 H 2.281 -5.701 -1.571 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2x 1
. 15 . 2667 . 1 1 4 DHA N N -0.072 -5.277 0.935 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2x 1
. 15 . 2668 . 1 1 4 DHA O O 1.690 -3.441 1.489 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2x 1
. 15 . 2669 . 1 1 5 ALA C C 4.197 -1.771 -1.017 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2x 1
. 15 . 2670 . 1 1 5 ALA CA C 4.026 -2.746 0.144 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2x 1
. 15 . 2671 . 1 1 5 ALA CB C 5.375 -3.308 0.566 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2x 1
. 15 . 2672 . 1 1 5 ALA H H 3.326 -4.393 -0.988 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2x 1
. 15 . 2673 . 1 1 5 ALA HA H 3.604 -2.216 0.986 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2x 1
. 15 . 2674 . 1 1 5 ALA HB1 H 5.815 -3.847 -0.261 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2x 1
. 15 . 2675 . 1 1 5 ALA HB2 H 5.241 -3.979 1.401 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2x 1
. 15 . 2676 . 1 1 5 ALA HB3 H 6.028 -2.498 0.856 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2x 1
. 15 . 2677 . 1 1 5 ALA N N 3.117 -3.832 -0.212 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2x 1
. 15 . 2678 . 1 1 5 ALA O O 4.457 -2.184 -2.148 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2x 1
. 15 . 2679 . 1 1 6 SER C C 3.157 0.478 -2.808 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2x 1
. 15 . 2680 . 1 1 6 SER CA C 4.197 0.586 -1.789 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2x 1
. 15 . 2681 . 1 1 6 SER CB C 5.630 0.559 -2.397 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2x 1
. 15 . 2682 . 1 1 6 SER H H 3.840 -0.215 0.192 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2x 1
. 15 . 2683 . 1 1 6 SER HB2 H 5.767 -0.349 -2.966 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2x 1
. 15 . 2684 . 1 1 6 SER HB3 H 5.764 1.413 -3.045 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2x 1
. 15 . 2685 . 1 1 6 SER N N 4.049 -0.474 -0.729 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2x 1
. 15 . 2686 . 1 1 7 . C C -0.133 1.137 -4.042 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2x 1
. 15 . 2687 . 1 1 7 . CA C 1.236 0.696 -3.860 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2x 1
. 15 . 2688 . 1 1 7 . CB C 1.933 -0.071 -4.841 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2x 1
. 15 . 2689 . 1 1 7 . HB H 1.534 -0.395 -5.791 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2x 1
. 15 . 2690 . 1 1 7 . N N 1.960 0.972 -2.754 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2x 1
. 15 . 2691 . 1 1 7 . O O -0.820 0.887 -5.032 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2x 1
. 15 . 2692 . 1 1 7 . SG S 3.484 -0.385 -4.266 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2x 1
. 15 . 2693 . 1 1 8 THR C C -1.938 3.883 -2.642 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2x 1
. 15 . 2694 . 1 1 8 THR CA C -1.936 2.395 -2.984 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2x 1
. 15 . 2695 . 1 1 8 THR CB C -2.813 1.636 -1.968 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2x 1
. 15 . 2696 . 1 1 8 THR CG2 C -2.175 1.628 -0.586 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2x 1
. 15 . 2697 . 1 1 8 THR H H 0.027 2.044 -2.267 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2x 1
. 15 . 2698 . 1 1 8 THR HA H -2.368 2.266 -3.965 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2x 1
. 15 . 2699 . 1 1 8 THR HB H -2.917 0.614 -2.302 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2x 1
. 15 . 2700 . 1 1 8 THR HG1 H -4.772 1.603 -2.191 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2x 1
. 15 . 2701 . 1 1 8 THR HG21 H -2.147 2.635 -0.195 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2x 1
. 15 . 2702 . 1 1 8 THR HG22 H -1.168 1.243 -0.656 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2x 1
. 15 . 2703 . 1 1 8 THR HG23 H -2.755 1.002 0.076 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2x 1
. 15 . 2704 . 1 1 8 THR N N -0.576 1.862 -3.018 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2x 1
. 15 . 2705 . 1 1 8 THR O O -0.965 4.408 -2.100 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2x 1
. 15 . 2706 . 1 1 8 THR OG1 O -4.112 2.233 -1.895 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2x 1
. 15 . 2707 . 1 1 9 DBU C C -3.841 6.382 -1.465 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2x 1
. 15 . 2708 . 1 1 9 DBU CA C -3.239 5.997 -2.764 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2x 1
. 15 . 2709 . 1 1 9 DBU CB C -2.917 6.926 -3.658 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2x 1
. 15 . 2710 . 1 1 9 DBU CG C -2.292 6.592 -5.021 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2x 1
. 15 . 2711 . 1 1 9 DBU HG1 H -1.351 6.084 -4.869 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2x 1
. 15 . 2712 . 1 1 9 DBU HG2 H -2.123 7.505 -5.573 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2x 1
. 15 . 2713 . 1 1 9 DBU HG3 H -2.962 5.953 -5.578 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2x 1
. 15 . 2714 . 1 1 9 DBU N N -3.039 4.557 -2.962 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2x 1
. 15 . 2715 . 1 1 10 . C C -5.103 5.433 1.732 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 C . . . . . . . . . rr_2l2x 1
. 15 . 2716 . 1 1 10 . CA C -4.678 6.145 0.544 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 CA . . . . . . . . . rr_2l2x 1
. 15 . 2717 . 1 1 10 . CB C -4.792 7.567 0.420 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 CB . . . . . . . . . rr_2l2x 1
. 15 . 2718 . 1 1 10 . HB H -5.192 8.234 1.170 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 HB . . . . . . . . . rr_2l2x 1
. 15 . 2719 . 1 1 10 . N N -4.141 5.534 -0.537 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 N . . . . . . . . . rr_2l2x 1
. 15 . 2720 . 1 1 10 . O O -5.587 5.970 2.730 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 O . . . . . . . . . rr_2l2x 1
. 15 . 2721 . 1 1 10 . SG S -4.198 8.023 -1.088 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 SG . . . . . . . . . rr_2l2x 1
. 15 . 2722 . 1 1 11 . C C -4.068 3.001 3.643 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2x 1
. 15 . 2723 . 1 1 11 . CA C -5.277 3.217 2.730 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2x 1
. 15 . 2724 . 1 1 11 . CB C -5.821 1.856 2.168 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2x 1
. 15 . 2725 . 1 1 11 . CD1 C -7.578 1.041 0.417 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2x 1
. 15 . 2726 . 1 1 11 . CG1 C -7.093 2.175 1.310 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2x 1
. 15 . 2727 . 1 1 11 . CG2 C -6.163 0.918 3.284 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2x 1
. 15 . 2728 . 1 1 11 . H H -4.530 3.747 0.820 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2x 1
. 15 . 2729 . 1 1 11 . HA H -6.062 3.695 3.298 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2x 1
. 15 . 2730 . 1 1 11 . HD11 H -8.565 1.274 0.043 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2x 1
. 15 . 2731 . 1 1 11 . HD12 H -7.615 0.122 0.983 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2x 1
. 15 . 2732 . 1 1 11 . HD13 H -6.898 0.924 -0.414 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2x 1
. 15 . 2733 . 1 1 11 . HD2 H -8.164 3.478 2.337 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2x 1
. 15 . 2734 . 1 1 11 . HG1 H -6.893 3.030 0.683 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2x 1
. 15 . 2735 . 1 1 11 . HG21 H -5.259 0.606 3.787 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2x 1
. 15 . 2736 . 1 1 11 . HG22 H -6.668 0.051 2.885 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2x 1
. 15 . 2737 . 1 1 11 . HG23 H -6.809 1.417 3.989 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2x 1
. 15 . 2738 . 1 1 11 . HG3 H -4.024 1.152 1.837 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2x 1
. 15 . 2739 . 1 1 11 . N N -4.918 4.119 1.640 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2x 1
. 15 . 2740 . 1 1 11 . OD2 O -8.129 2.522 2.239 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2x 1
. 15 . 2741 . 1 1 11 . OG3 O -4.836 1.269 1.338 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2x 1
. 15 . 2742 . 1 1 12 . C C -0.709 1.908 4.181 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2x 1
. 15 . 2743 . 1 1 12 . CA C -2.056 2.430 4.306 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2x 1
. 15 . 2744 . 1 1 12 . CB C -2.571 2.923 5.545 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2x 1
. 15 . 2745 . 1 1 12 . HB H -2.033 2.957 6.482 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2x 1
. 15 . 2746 . 1 1 12 . N N -2.932 2.497 3.275 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2x 1
. 15 . 2747 . 1 1 12 . O O 0.101 1.853 5.108 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2x 1
. 15 . 2748 . 1 1 12 . SG S -4.154 3.441 5.302 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2x 1
. 15 . 2749 . 1 1 13 THR C C 1.470 1.649 1.403 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2x 1
. 15 . 2750 . 1 1 13 THR CA C 0.888 0.929 2.619 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2x 1
. 15 . 2751 . 1 1 13 THR CB C 0.819 -0.594 2.378 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2x 1
. 15 . 2752 . 1 1 13 THR CG2 C 0.421 -1.335 3.645 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2x 1
. 15 . 2753 . 1 1 13 THR H H -1.114 1.532 2.257 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2x 1
. 15 . 2754 . 1 1 13 THR HA H 1.538 1.096 3.465 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2x 1
. 15 . 2755 . 1 1 13 THR HB H 1.786 -0.953 2.051 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2x 1
. 15 . 2756 . 1 1 13 THR HG21 H -0.561 -1.012 3.958 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2x 1
. 15 . 2757 . 1 1 13 THR HG22 H 1.137 -1.121 4.426 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2x 1
. 15 . 2758 . 1 1 13 THR HG23 H 0.407 -2.397 3.451 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2x 1
. 15 . 2759 . 1 1 13 THR N N -0.425 1.478 2.953 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2x 1
. 15 . 2760 . 1 1 13 THR OG1 O -0.218 -0.909 1.365 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2x 1
. 15 . 2761 . 1 1 14 . C C 4.108 1.953 -1.017 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2x 1
. 15 . 2762 . 1 1 14 . CA C 2.848 2.157 -0.223 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2x 1
. 15 . 2763 . 1 1 14 . CB C 1.847 3.154 -0.456 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2x 1
. 15 . 2764 . 1 1 14 . HB H 1.867 3.897 -1.241 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2x 1
. 15 . 2765 . 1 1 14 . N N 2.587 1.346 0.825 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2x 1
. 15 . 2766 . 1 1 14 . SG S 0.633 2.976 0.699 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2x 1
. 15 . 2767 . 1 1 15 . C C 7.308 1.707 0.875 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2x 1
. 15 . 2768 . 1 1 15 . CA C 6.298 1.490 -0.184 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2x 1
. 15 . 2769 . 1 1 15 . CB C 6.682 0.604 -1.293 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2x 1
. 15 . 2770 . 1 1 15 . HB2 H 6.821 -0.394 -0.913 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2x 1
. 15 . 2771 . 1 1 15 . HB3 H 7.612 0.949 -1.725 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2x 1
. 15 . 2772 . 1 1 15 . N N 5.180 2.103 -0.018 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2x 1
. 15 . 2773 . 1 1 16 . C C 10.574 1.102 2.162 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2x 1
. 15 . 2774 . 1 1 16 . CA C 9.213 1.544 1.936 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2x 1
. 15 . 2775 . 1 1 16 . CB C 8.521 2.399 2.850 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2x 1
. 15 . 2776 . 1 1 16 . HB H 8.921 2.793 3.772 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2x 1
. 15 . 2777 . 1 1 16 . N N 8.490 1.188 0.850 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2x 1
. 15 . 2778 . 1 1 16 . O O 11.250 1.410 3.142 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2x 1
. 15 . 2779 . 1 1 16 . SG S 6.974 2.689 2.245 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2x 1
. 15 . 2780 . 1 1 17 DHA C C 12.511 -1.108 -0.125 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2x 1
. 15 . 2781 . 1 1 17 DHA CA C 12.361 -0.288 1.073 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2x 1
. 15 . 2782 . 1 1 17 DHA CB C 13.351 -0.131 1.945 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2x 1
. 15 . 2783 . 1 1 17 DHA H H 10.386 0.125 0.454 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2x 1
. 15 . 2784 . 1 1 17 DHA HB1 H 13.208 0.482 2.821 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2x 1
. 15 . 2785 . 1 1 17 DHA HB2 H 14.299 -0.615 1.783 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2x 1
. 15 . 2786 . 1 1 17 DHA N N 11.019 0.316 1.177 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2x 1
. 15 . 2787 . 1 1 17 DHA O O 11.536 -1.192 -0.872 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2x 1
. 15 . 2788 . 1 1 18 NH2 HN1 H 13.741 -2.275 -1.188 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . rr_2l2x 1
. 15 . 2789 . 1 1 18 NH2 HN2 H 14.409 -1.635 0.241 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . rr_2l2x 1
. 15 . 2790 . 1 1 18 NH2 N N 13.661 -1.730 -0.379 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . rr_2l2x 1
. 16 . 2791 . 1 1 1 QUA C10 C -3.092 -2.447 -2.304 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2x 1
. 16 . 2792 . 1 1 1 QUA C11 C 0.159 -1.215 0.124 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2x 1
. 16 . 2793 . 1 1 1 QUA C13 C -1.522 -2.883 -4.274 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2x 1
. 16 . 2794 . 1 1 1 QUA C14 C -1.429 -4.401 -4.351 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2x 1
. 16 . 2795 . 1 1 1 QUA C2 C -1.004 -1.643 -0.716 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2x 1
. 16 . 2796 . 1 1 1 QUA C3 C -0.736 -2.037 -2.021 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2x 1
. 16 . 2797 . 1 1 1 QUA C4 C -1.793 -2.447 -2.835 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2x 1
. 16 . 2798 . 1 1 1 QUA C5 C -4.269 -2.866 -3.084 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2x 1
. 16 . 2799 . 1 1 1 QUA C6 C -5.396 -3.166 -2.512 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2x 1
. 16 . 2800 . 1 1 1 QUA C7 C -5.574 -3.107 -0.990 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2x 1
. 16 . 2801 . 1 1 1 QUA C8 C -4.655 -2.021 -0.367 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2x 1
. 16 . 2802 . 1 1 1 QUA C9 C -3.263 -2.039 -0.991 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2x 1
. 16 . 2803 . 1 1 1 QUA H13 H -2.333 -2.562 -4.908 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2x 1
. 16 . 2804 . 1 1 1 QUA H141 H -1.306 -4.702 -5.381 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2x 1
. 16 . 2805 . 1 1 1 QUA H142 H -2.332 -4.839 -3.952 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2x 1
. 16 . 2806 . 1 1 1 QUA H143 H -0.580 -4.738 -3.775 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2x 1
. 16 . 2807 . 1 1 1 QUA H15 H 0.441 -2.829 -4.461 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2x 1
. 16 . 2808 . 1 1 1 QUA H16 H -6.045 -0.825 -1.093 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2x 1
. 16 . 2809 . 1 1 1 QUA HC3 H 0.276 -2.025 -2.401 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2x 1
. 16 . 2810 . 1 1 1 QUA HC5 H -4.198 -2.926 -4.159 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2x 1
. 16 . 2811 . 1 1 1 QUA HC6 H -6.231 -3.468 -3.126 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2x 1
. 16 . 2812 . 1 1 1 QUA HC71 H -6.601 -2.873 -0.754 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2x 1
. 16 . 2813 . 1 1 1 QUA HC8 H -4.573 -2.213 0.692 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2x 1
. 16 . 2814 . 1 1 1 QUA N1 N -2.252 -1.634 -0.176 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2x 1
. 16 . 2815 . 1 1 1 QUA O12 O 1.314 -1.171 -0.297 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2x 1
. 16 . 2816 . 1 1 1 QUA O15 O -0.304 -2.308 -4.766 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2x 1
. 16 . 2817 . 1 1 1 QUA O16 O -5.261 -0.737 -0.545 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2x 1
. 16 . 2818 . 1 1 2 ILE C C -4.416 -5.041 1.803 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2x 1
. 16 . 2819 . 1 1 2 ILE CA C -5.633 -4.653 0.966 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2x 1
. 16 . 2820 . 1 1 2 ILE CB C -6.727 -5.727 1.135 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2x 1
. 16 . 2821 . 1 1 2 ILE CD1 C -7.248 -8.178 0.650 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2x 1
. 16 . 2822 . 1 1 2 ILE CG1 C -6.381 -6.980 0.321 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2x 1
. 16 . 2823 . 1 1 2 ILE CG2 C -8.080 -5.169 0.714 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2x 1
. 16 . 2824 . 1 1 2 ILE H H -4.307 -4.653 -0.582 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2x 1
. 16 . 2825 . 1 1 2 ILE HA H -6.021 -3.713 1.332 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2x 1
. 16 . 2826 . 1 1 2 ILE HB H -6.784 -5.990 2.181 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2x 1
. 16 . 2827 . 1 1 2 ILE HD11 H -7.219 -8.362 1.713 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2x 1
. 16 . 2828 . 1 1 2 ILE HD12 H -6.876 -9.046 0.124 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2x 1
. 16 . 2829 . 1 1 2 ILE HD13 H -8.266 -7.983 0.346 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2x 1
. 16 . 2830 . 1 1 2 ILE HG12 H -6.506 -6.762 -0.729 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2x 1
. 16 . 2831 . 1 1 2 ILE HG13 H -5.353 -7.252 0.507 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2x 1
. 16 . 2832 . 1 1 2 ILE HG21 H -8.276 -4.256 1.255 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2x 1
. 16 . 2833 . 1 1 2 ILE HG22 H -8.853 -5.891 0.934 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2x 1
. 16 . 2834 . 1 1 2 ILE HG23 H -8.070 -4.964 -0.346 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2x 1
. 16 . 2835 . 1 1 2 ILE N N -5.264 -4.473 -0.468 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2x 1
. 16 . 2836 . 1 1 2 ILE O O -4.395 -4.842 3.018 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2x 1
. 16 . 2837 . 1 1 3 ALA C C -1.027 -6.116 0.809 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2x 1
. 16 . 2838 . 1 1 3 ALA CA C -2.171 -5.996 1.809 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2x 1
. 16 . 2839 . 1 1 3 ALA CB C -2.368 -7.313 2.546 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2x 1
. 16 . 2840 . 1 1 3 ALA H H -3.492 -5.743 0.175 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2x 1
. 16 . 2841 . 1 1 3 ALA HA H -1.924 -5.235 2.535 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2x 1
. 16 . 2842 . 1 1 3 ALA HB1 H -3.165 -7.205 3.268 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2x 1
. 16 . 2843 . 1 1 3 ALA HB2 H -1.455 -7.578 3.057 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2x 1
. 16 . 2844 . 1 1 3 ALA HB3 H -2.624 -8.088 1.839 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2x 1
. 16 . 2845 . 1 1 3 ALA N N -3.406 -5.597 1.140 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2x 1
. 16 . 2846 . 1 1 3 ALA O O -1.065 -6.962 -0.085 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2x 1
. 16 . 2847 . 1 1 4 DHA C C 2.063 -4.060 0.520 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2x 1
. 16 . 2848 . 1 1 4 DHA CA C 1.176 -5.137 0.112 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2x 1
. 16 . 2849 . 1 1 4 DHA CB C 1.460 -5.897 -0.936 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2x 1
. 16 . 2850 . 1 1 4 DHA H H -0.079 -4.652 1.739 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2x 1
. 16 . 2851 . 1 1 4 DHA HB1 H 0.793 -6.691 -1.229 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2x 1
. 16 . 2852 . 1 1 4 DHA HB2 H 2.363 -5.720 -1.502 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2x 1
. 16 . 2853 . 1 1 4 DHA N N -0.016 -5.259 0.972 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2x 1
. 16 . 2854 . 1 1 4 DHA O O 1.730 -3.402 1.506 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2x 1
. 16 . 2855 . 1 1 5 ALA C C 4.230 -1.759 -1.007 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2x 1
. 16 . 2856 . 1 1 5 ALA CA C 4.073 -2.722 0.166 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2x 1
. 16 . 2857 . 1 1 5 ALA CB C 5.429 -3.267 0.589 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2x 1
. 16 . 2858 . 1 1 5 ALA H H 3.393 -4.396 -0.937 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2x 1
. 16 . 2859 . 1 1 5 ALA HA H 3.648 -2.188 1.003 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2x 1
. 16 . 2860 . 1 1 5 ALA HB1 H 5.901 -3.751 -0.253 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2x 1
. 16 . 2861 . 1 1 5 ALA HB2 H 5.295 -3.984 1.387 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2x 1
. 16 . 2862 . 1 1 5 ALA HB3 H 6.051 -2.457 0.934 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2x 1
. 16 . 2863 . 1 1 5 ALA N N 3.173 -3.820 -0.175 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2x 1
. 16 . 2864 . 1 1 5 ALA O O 4.506 -2.179 -2.131 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2x 1
. 16 . 2865 . 1 1 6 SER C C 3.143 0.475 -2.816 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2x 1
. 16 . 2866 . 1 1 6 SER CA C 4.189 0.591 -1.803 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2x 1
. 16 . 2867 . 1 1 6 SER CB C 5.618 0.573 -2.416 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2x 1
. 16 . 2868 . 1 1 6 SER H H 3.830 -0.199 0.184 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2x 1
. 16 . 2869 . 1 1 6 SER HB2 H 5.757 -0.328 -2.994 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2x 1
. 16 . 2870 . 1 1 6 SER HB3 H 5.747 1.433 -3.057 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2x 1
. 16 . 2871 . 1 1 6 SER N N 4.052 -0.464 -0.733 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2x 1
. 16 . 2872 . 1 1 7 . C C -0.134 1.161 -4.072 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2x 1
. 16 . 2873 . 1 1 7 . CA C 1.226 0.701 -3.873 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2x 1
. 16 . 2874 . 1 1 7 . CB C 1.908 -0.105 -4.832 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2x 1
. 16 . 2875 . 1 1 7 . HB H 1.501 -0.447 -5.773 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2x 1
. 16 . 2876 . 1 1 7 . N N 1.956 0.994 -2.775 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2x 1
. 16 . 2877 . 1 1 7 . O O -0.823 0.898 -5.059 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2x 1
. 16 . 2878 . 1 1 7 . SG S 3.451 -0.433 -4.249 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2x 1
. 16 . 2879 . 1 1 8 THR C C -1.911 3.953 -2.696 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2x 1
. 16 . 2880 . 1 1 8 THR CA C -1.924 2.469 -3.054 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2x 1
. 16 . 2881 . 1 1 8 THR CB C -2.830 1.713 -2.060 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2x 1
. 16 . 2882 . 1 1 8 THR CG2 C -2.199 1.661 -0.675 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2x 1
. 16 . 2883 . 1 1 8 THR H H 0.028 2.106 -2.316 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2x 1
. 16 . 2884 . 1 1 8 THR HA H -2.341 2.354 -4.044 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2x 1
. 16 . 2885 . 1 1 8 THR HB H -2.960 0.701 -2.415 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2x 1
. 16 . 2886 . 1 1 8 THR HG1 H -4.303 2.790 -2.812 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2x 1
. 16 . 2887 . 1 1 8 THR HG21 H -2.784 1.017 -0.037 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2x 1
. 16 . 2888 . 1 1 8 THR HG22 H -2.172 2.655 -0.254 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2x 1
. 16 . 2889 . 1 1 8 THR HG23 H -1.193 1.276 -0.751 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2x 1
. 16 . 2890 . 1 1 8 THR N N -0.573 1.916 -3.066 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2x 1
. 16 . 2891 . 1 1 8 THR O O -0.919 4.469 -2.183 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2x 1
. 16 . 2892 . 1 1 8 THR OG1 O -4.113 2.347 -1.982 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2x 1
. 16 . 2893 . 1 1 9 DBU C C -3.801 6.419 -1.416 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2x 1
. 16 . 2894 . 1 1 9 DBU CA C -3.218 6.066 -2.733 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2x 1
. 16 . 2895 . 1 1 9 DBU CB C -2.909 7.019 -3.608 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2x 1
. 16 . 2896 . 1 1 9 DBU CG C -2.302 6.723 -4.987 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2x 1
. 16 . 2897 . 1 1 9 DBU HG1 H -2.144 7.651 -5.517 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2x 1
. 16 . 2898 . 1 1 9 DBU HG2 H -2.978 6.098 -5.551 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2x 1
. 16 . 2899 . 1 1 9 DBU HG3 H -1.358 6.214 -4.864 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2x 1
. 16 . 2900 . 1 1 9 DBU N N -3.021 4.633 -2.971 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2x 1
. 16 . 2901 . 1 1 10 . C C -5.085 5.384 1.748 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 C . . . . . . . . . rr_2l2x 1
. 16 . 2902 . 1 1 10 . CA C -4.637 6.129 0.587 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 CA . . . . . . . . . rr_2l2x 1
. 16 . 2903 . 1 1 10 . CB C -4.697 7.557 0.525 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 CB . . . . . . . . . rr_2l2x 1
. 16 . 2904 . 1 1 10 . HB H -5.067 8.207 1.303 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 HB . . . . . . . . . rr_2l2x 1
. 16 . 2905 . 1 1 10 . N N -4.128 5.543 -0.523 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 N . . . . . . . . . rr_2l2x 1
. 16 . 2906 . 1 1 10 . O O -5.549 5.894 2.767 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 O . . . . . . . . . rr_2l2x 1
. 16 . 2907 . 1 1 10 . SG S -4.093 8.054 -0.967 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 SG . . . . . . . . . rr_2l2x 1
. 16 . 2908 . 1 1 11 . C C -4.111 2.930 3.594 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2x 1
. 16 . 2909 . 1 1 11 . CA C -5.308 3.139 2.664 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2x 1
. 16 . 2910 . 1 1 11 . CB C -5.817 1.783 2.060 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2x 1
. 16 . 2911 . 1 1 11 . CD1 C -7.656 0.978 0.385 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2x 1
. 16 . 2912 . 1 1 11 . CG1 C -7.163 2.081 1.313 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2x 1
. 16 . 2913 . 1 1 11 . CG2 C -6.025 0.761 3.134 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2x 1
. 16 . 2914 . 1 1 11 . H H -4.587 3.718 0.760 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2x 1
. 16 . 2915 . 1 1 11 . HA H -6.113 3.590 3.228 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2x 1
. 16 . 2916 . 1 1 11 . HD11 H -8.641 1.228 0.022 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2x 1
. 16 . 2917 . 1 1 11 . HD12 H -7.698 0.042 0.924 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2x 1
. 16 . 2918 . 1 1 11 . HD13 H -6.979 0.882 -0.450 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2x 1
. 16 . 2919 . 1 1 11 . HD2 H -8.733 3.020 2.056 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2x 1
. 16 . 2920 . 1 1 11 . HG1 H -7.053 2.982 0.731 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2x 1
. 16 . 2921 . 1 1 11 . HG21 H -6.554 1.210 3.962 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2x 1
. 16 . 2922 . 1 1 11 . HG22 H -5.068 0.394 3.473 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2x 1
. 16 . 2923 . 1 1 11 . HG23 H -6.606 -0.060 2.742 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2x 1
. 16 . 2924 . 1 1 11 . HG3 H -5.038 1.691 0.267 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2x 1
. 16 . 2925 . 1 1 11 . N N -4.945 4.070 1.602 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2x 1
. 16 . 2926 . 1 1 11 . OD2 O -8.143 2.314 2.333 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2x 1
. 16 . 2927 . 1 1 11 . OG3 O -4.865 1.306 1.129 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2x 1
. 16 . 2928 . 1 1 12 . C C -0.748 1.877 4.166 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2x 1
. 16 . 2929 . 1 1 12 . CA C -2.103 2.380 4.279 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2x 1
. 16 . 2930 . 1 1 12 . CB C -2.639 2.855 5.516 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2x 1
. 16 . 2931 . 1 1 12 . HB H -2.115 2.887 6.460 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2x 1
. 16 . 2932 . 1 1 12 . N N -2.965 2.444 3.238 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2x 1
. 16 . 2933 . 1 1 12 . O O 0.049 1.810 5.101 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2x 1
. 16 . 2934 . 1 1 12 . SG S -4.227 3.354 5.256 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2x 1
. 16 . 2935 . 1 1 13 THR C C 1.458 1.660 1.386 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2x 1
. 16 . 2936 . 1 1 13 THR CA C 0.876 0.944 2.602 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2x 1
. 16 . 2937 . 1 1 13 THR CB C 0.815 -0.579 2.368 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2x 1
. 16 . 2938 . 1 1 13 THR CG2 C 0.428 -1.316 3.639 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2x 1
. 16 . 2939 . 1 1 13 THR H H -1.117 1.563 2.223 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2x 1
. 16 . 2940 . 1 1 13 THR HA H 1.521 1.119 3.450 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2x 1
. 16 . 2941 . 1 1 13 THR HB H 1.782 -0.934 2.038 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2x 1
. 16 . 2942 . 1 1 13 THR HG21 H -0.559 -1.005 3.950 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2x 1
. 16 . 2943 . 1 1 13 THR HG22 H 1.139 -1.088 4.419 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2x 1
. 16 . 2944 . 1 1 13 THR HG23 H 0.428 -2.380 3.453 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2x 1
. 16 . 2945 . 1 1 13 THR N N -0.441 1.486 2.929 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2x 1
. 16 . 2946 . 1 1 13 THR OG1 O -0.226 -0.901 1.360 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2x 1
. 16 . 2947 . 1 1 14 . C C 4.101 1.957 -1.030 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2x 1
. 16 . 2948 . 1 1 14 . CA C 2.838 2.163 -0.240 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2x 1
. 16 . 2949 . 1 1 14 . CB C 1.837 3.155 -0.481 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2x 1
. 16 . 2950 . 1 1 14 . HB H 1.857 3.893 -1.270 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2x 1
. 16 . 2951 . 1 1 14 . N N 2.577 1.356 0.812 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2x 1
. 16 . 2952 . 1 1 14 . SG S 0.621 2.981 0.672 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2x 1
. 16 . 2953 . 1 1 15 . C C 7.296 1.690 0.866 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2x 1
. 16 . 2954 . 1 1 15 . CA C 6.290 1.487 -0.198 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2x 1
. 16 . 2955 . 1 1 15 . CB C 6.676 0.613 -1.318 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2x 1
. 16 . 2956 . 1 1 15 . HB2 H 6.823 -0.388 -0.948 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2x 1
. 16 . 2957 . 1 1 15 . HB3 H 7.600 0.969 -1.750 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2x 1
. 16 . 2958 . 1 1 15 . N N 5.170 2.097 -0.027 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2x 1
. 16 . 2959 . 1 1 16 . C C 10.548 1.069 2.175 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2x 1
. 16 . 2960 . 1 1 16 . CA C 9.193 1.511 1.935 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2x 1
. 16 . 2961 . 1 1 16 . CB C 8.505 2.361 2.849 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2x 1
. 16 . 2962 . 1 1 16 . HB H 8.910 2.742 3.774 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2x 1
. 16 . 2963 . 1 1 16 . N N 8.476 1.165 0.843 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2x 1
. 16 . 2964 . 1 1 16 . O O 11.209 1.381 3.164 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2x 1
. 16 . 2965 . 1 1 16 . SG S 6.962 2.665 2.243 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2x 1
. 16 . 2966 . 1 1 17 DHA C C 12.547 -1.154 -0.030 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2x 1
. 16 . 2967 . 1 1 17 DHA CA C 12.352 -0.312 1.135 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2x 1
. 16 . 2968 . 1 1 17 DHA CB C 13.324 -0.132 2.016 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2x 1
. 16 . 2969 . 1 1 17 DHA H H 10.386 0.075 0.476 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2x 1
. 16 . 2970 . 1 1 17 DHA HB1 H 13.167 0.494 2.876 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2x 1
. 16 . 2971 . 1 1 17 DHA HB2 H 14.274 -0.611 1.872 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2x 1
. 16 . 2972 . 1 1 17 DHA N N 11.007 0.279 1.205 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2x 1
. 16 . 2973 . 1 1 17 DHA O O 11.602 -1.280 -0.808 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2x 1
. 16 . 2974 . 1 1 18 NH2 HN1 H 13.855 -2.312 -1.001 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . rr_2l2x 1
. 16 . 2975 . 1 1 18 NH2 HN2 H 14.437 -1.606 0.441 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . rr_2l2x 1
. 16 . 2976 . 1 1 18 NH2 N N 13.721 -1.746 -0.214 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . rr_2l2x 1
. 17 . 2977 . 1 1 1 QUA C10 C -3.092 -2.429 -2.274 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2x 1
. 17 . 2978 . 1 1 1 QUA C11 C 0.165 -1.212 0.151 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2x 1
. 17 . 2979 . 1 1 1 QUA C13 C -1.537 -2.765 -4.276 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2x 1
. 17 . 2980 . 1 1 1 QUA C14 C -1.413 -4.276 -4.402 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2x 1
. 17 . 2981 . 1 1 1 QUA C2 C -0.999 -1.637 -0.686 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2x 1
. 17 . 2982 . 1 1 1 QUA C3 C -0.741 -1.980 -2.006 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2x 1
. 17 . 2983 . 1 1 1 QUA C4 C -1.799 -2.384 -2.820 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2x 1
. 17 . 2984 . 1 1 1 QUA C5 C -4.269 -2.842 -3.055 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2x 1
. 17 . 2985 . 1 1 1 QUA C6 C -5.388 -3.171 -2.483 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2x 1
. 17 . 2986 . 1 1 1 QUA C7 C -5.561 -3.157 -0.959 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2x 1
. 17 . 2987 . 1 1 1 QUA C8 C -4.633 -2.100 -0.299 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2x 1
. 17 . 2988 . 1 1 1 QUA C9 C -3.252 -2.069 -0.946 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2x 1
. 17 . 2989 . 1 1 1 QUA H13 H -2.360 -2.440 -4.891 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2x 1
. 17 . 2990 . 1 1 1 QUA H141 H -0.573 -4.618 -3.817 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2x 1
. 17 . 2991 . 1 1 1 QUA H142 H -1.262 -4.539 -5.438 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2x 1
. 17 . 2992 . 1 1 1 QUA H143 H -2.317 -4.743 -4.040 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2x 1
. 17 . 2993 . 1 1 1 QUA H15 H -0.549 -1.314 -5.177 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2x 1
. 17 . 2994 . 1 1 1 QUA H16 H -5.718 -0.625 0.428 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2x 1
. 17 . 2995 . 1 1 1 QUA HC3 H 0.266 -1.935 -2.398 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2x 1
. 17 . 2996 . 1 1 1 QUA HC5 H -4.208 -2.871 -4.131 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2x 1
. 17 . 2997 . 1 1 1 QUA HC6 H -6.223 -3.465 -3.100 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2x 1
. 17 . 2998 . 1 1 1 QUA HC71 H -6.584 -2.922 -0.714 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2x 1
. 17 . 2999 . 1 1 1 QUA HC8 H -4.529 -2.352 0.746 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2x 1
. 17 . 3000 . 1 1 1 QUA N1 N -2.239 -1.673 -0.131 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2x 1
. 17 . 3001 . 1 1 1 QUA O12 O 1.317 -1.147 -0.280 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2x 1
. 17 . 3002 . 1 1 1 QUA O15 O -0.336 -2.151 -4.760 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2x 1
. 17 . 3003 . 1 1 1 QUA O16 O -5.251 -0.814 -0.389 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2x 1
. 17 . 3004 . 1 1 2 ILE C C -4.419 -5.165 1.768 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2x 1
. 17 . 3005 . 1 1 2 ILE CA C -5.637 -4.769 0.940 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2x 1
. 17 . 3006 . 1 1 2 ILE CB C -6.720 -5.861 1.071 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2x 1
. 17 . 3007 . 1 1 2 ILE CD1 C -7.233 -8.281 0.435 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2x 1
. 17 . 3008 . 1 1 2 ILE CG1 C -6.387 -7.054 0.165 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2x 1
. 17 . 3009 . 1 1 2 ILE CG2 C -8.089 -5.289 0.730 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2x 1
. 17 . 3010 . 1 1 2 ILE H H -4.308 -4.725 -0.603 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2x 1
. 17 . 3011 . 1 1 2 ILE HA H -6.040 -3.843 1.332 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2x 1
. 17 . 3012 . 1 1 2 ILE HB H -6.742 -6.194 2.098 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2x 1
. 17 . 3013 . 1 1 2 ILE HD11 H -6.936 -9.077 -0.233 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2x 1
. 17 . 3014 . 1 1 2 ILE HD12 H -8.274 -8.047 0.272 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2x 1
. 17 . 3015 . 1 1 2 ILE HD13 H -7.092 -8.599 1.458 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2x 1
. 17 . 3016 . 1 1 2 ILE HG12 H -6.540 -6.768 -0.864 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2x 1
. 17 . 3017 . 1 1 2 ILE HG13 H -5.351 -7.327 0.307 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2x 1
. 17 . 3018 . 1 1 2 ILE HG21 H -8.101 -4.971 -0.302 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2x 1
. 17 . 3019 . 1 1 2 ILE HG22 H -8.295 -4.444 1.370 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2x 1
. 17 . 3020 . 1 1 2 ILE HG23 H -8.846 -6.046 0.882 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2x 1
. 17 . 3021 . 1 1 2 ILE N N -5.264 -4.541 -0.486 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2x 1
. 17 . 3022 . 1 1 2 ILE O O -4.383 -4.953 2.980 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2x 1
. 17 . 3023 . 1 1 3 ALA C C -1.035 -6.237 0.764 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2x 1
. 17 . 3024 . 1 1 3 ALA CA C -2.186 -6.150 1.763 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2x 1
. 17 . 3025 . 1 1 3 ALA CB C -2.382 -7.485 2.465 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2x 1
. 17 . 3026 . 1 1 3 ALA H H -3.521 -5.900 0.138 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2x 1
. 17 . 3027 . 1 1 3 ALA HA H -1.947 -5.407 2.509 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2x 1
. 17 . 3028 . 1 1 3 ALA HB1 H -1.470 -7.761 2.974 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2x 1
. 17 . 3029 . 1 1 3 ALA HB2 H -2.632 -8.243 1.737 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2x 1
. 17 . 3030 . 1 1 3 ALA HB3 H -3.184 -7.399 3.184 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2x 1
. 17 . 3031 . 1 1 3 ALA N N -3.422 -5.742 1.101 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2x 1
. 17 . 3032 . 1 1 3 ALA O O -1.018 -7.117 -0.096 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2x 1
. 17 . 3033 . 1 1 4 DHA C C 1.994 -4.087 0.485 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2x 1
. 17 . 3034 . 1 1 4 DHA CA C 1.109 -5.149 0.035 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2x 1
. 17 . 3035 . 1 1 4 DHA CB C 1.389 -5.860 -1.049 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2x 1
. 17 . 3036 . 1 1 4 DHA H H -0.173 -4.693 1.648 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2x 1
. 17 . 3037 . 1 1 4 DHA HB1 H 0.723 -6.643 -1.373 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2x 1
. 17 . 3038 . 1 1 4 DHA HB2 H 2.288 -5.654 -1.611 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2x 1
. 17 . 3039 . 1 1 4 DHA N N -0.076 -5.316 0.898 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2x 1
. 17 . 3040 . 1 1 4 DHA O O 1.666 -3.475 1.501 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2x 1
. 17 . 3041 . 1 1 5 ALA C C 4.173 -1.748 -1.005 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2x 1
. 17 . 3042 . 1 1 5 ALA CA C 3.984 -2.710 0.164 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2x 1
. 17 . 3043 . 1 1 5 ALA CB C 5.331 -3.247 0.630 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2x 1
. 17 . 3044 . 1 1 5 ALA H H 3.327 -4.364 -0.982 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2x 1
. 17 . 3045 . 1 1 5 ALA HA H 3.533 -2.176 0.986 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2x 1
. 17 . 3046 . 1 1 5 ALA HB1 H 5.809 -3.773 -0.184 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2x 1
. 17 . 3047 . 1 1 5 ALA HB2 H 5.182 -3.924 1.457 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2x 1
. 17 . 3048 . 1 1 5 ALA HB3 H 5.956 -2.425 0.944 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2x 1
. 17 . 3049 . 1 1 5 ALA N N 3.099 -3.812 -0.206 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2x 1
. 17 . 3050 . 1 1 5 ALA O O 4.454 -2.172 -2.126 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2x 1
. 17 . 3051 . 1 1 6 SER C C 3.148 0.489 -2.828 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2x 1
. 17 . 3052 . 1 1 6 SER CA C 4.179 0.599 -1.801 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2x 1
. 17 . 3053 . 1 1 6 SER CB C 5.618 0.559 -2.389 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2x 1
. 17 . 3054 . 1 1 6 SER H H 3.786 -0.182 0.182 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2x 1
. 17 . 3055 . 1 1 6 SER HB2 H 5.756 -0.347 -2.959 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2x 1
. 17 . 3056 . 1 1 6 SER HB3 H 5.771 1.415 -3.031 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2x 1
. 17 . 3057 . 1 1 6 SER N N 4.015 -0.451 -0.732 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2x 1
. 17 . 3058 . 1 1 7 . C C -0.132 1.151 -4.083 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2x 1
. 17 . 3059 . 1 1 7 . CA C 1.235 0.707 -3.893 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2x 1
. 17 . 3060 . 1 1 7 . CB C 1.938 -0.059 -4.870 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2x 1
. 17 . 3061 . 1 1 7 . HB H 1.545 -0.382 -5.822 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2x 1
. 17 . 3062 . 1 1 7 . N N 1.951 0.982 -2.782 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2x 1
. 17 . 3063 . 1 1 7 . O O -0.814 0.906 -5.079 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2x 1
. 17 . 3064 . 1 1 7 . SG S 3.485 -0.374 -4.283 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2x 1
. 17 . 3065 . 1 1 8 THR C C -1.920 3.894 -2.635 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2x 1
. 17 . 3066 . 1 1 8 THR CA C -1.934 2.421 -3.038 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2x 1
. 17 . 3067 . 1 1 8 THR CB C -2.850 1.637 -2.075 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2x 1
. 17 . 3068 . 1 1 8 THR CG2 C -2.252 1.572 -0.677 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2x 1
. 17 . 3069 . 1 1 8 THR H H 0.010 2.032 -2.293 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2x 1
. 17 . 3070 . 1 1 8 THR HA H -2.342 2.339 -4.035 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2x 1
. 17 . 3071 . 1 1 8 THR HB H -2.957 0.629 -2.450 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2x 1
. 17 . 3072 . 1 1 8 THR HG1 H -4.663 1.974 -2.778 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2x 1
. 17 . 3073 . 1 1 8 THR HG21 H -1.230 1.233 -0.737 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2x 1
. 17 . 3074 . 1 1 8 THR HG22 H -2.824 0.884 -0.073 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2x 1
. 17 . 3075 . 1 1 8 THR HG23 H -2.279 2.554 -0.227 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2x 1
. 17 . 3076 . 1 1 8 THR N N -0.583 1.869 -3.057 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2x 1
. 17 . 3077 . 1 1 8 THR O O -0.975 4.366 -2.003 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2x 1
. 17 . 3078 . 1 1 8 THR OG1 O -4.144 2.249 -2.019 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2x 1
. 17 . 3079 . 1 1 9 DBU C C -3.734 6.411 -1.452 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2x 1
. 17 . 3080 . 1 1 9 DBU CA C -3.141 6.051 -2.762 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2x 1
. 17 . 3081 . 1 1 9 DBU CB C -2.798 7.002 -3.627 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2x 1
. 17 . 3082 . 1 1 9 DBU CG C -2.179 6.700 -5.000 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2x 1
. 17 . 3083 . 1 1 9 DBU HG1 H -1.257 6.153 -4.867 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2x 1
. 17 . 3084 . 1 1 9 DBU HG2 H -1.974 7.628 -5.513 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2x 1
. 17 . 3085 . 1 1 9 DBU HG3 H -2.867 6.110 -5.585 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2x 1
. 17 . 3086 . 1 1 9 DBU N N -2.972 4.615 -3.005 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2x 1
. 17 . 3087 . 1 1 10 . C C -5.048 5.416 1.717 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 C . . . . . . . . . rr_2l2x 1
. 17 . 3088 . 1 1 10 . CA C -4.587 6.143 0.549 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 CA . . . . . . . . . rr_2l2x 1
. 17 . 3089 . 1 1 10 . CB C -4.639 7.571 0.472 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 CB . . . . . . . . . rr_2l2x 1
. 17 . 3090 . 1 1 10 . HB H -5.013 8.230 1.241 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 HB . . . . . . . . . rr_2l2x 1
. 17 . 3091 . 1 1 10 . N N -4.073 5.544 -0.552 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 N . . . . . . . . . rr_2l2x 1
. 17 . 3092 . 1 1 10 . O O -5.520 5.946 2.725 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 O . . . . . . . . . rr_2l2x 1
. 17 . 3093 . 1 1 10 . SG S -4.021 8.052 -1.018 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 SG . . . . . . . . . rr_2l2x 1
. 17 . 3094 . 1 1 11 . C C -4.051 3.011 3.610 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2x 1
. 17 . 3095 . 1 1 11 . CA C -5.261 3.192 2.691 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2x 1
. 17 . 3096 . 1 1 11 . CB C -5.770 1.814 2.134 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2x 1
. 17 . 3097 . 1 1 11 . CD1 C -7.559 0.946 0.440 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2x 1
. 17 . 3098 . 1 1 11 . CG1 C -7.082 2.092 1.324 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2x 1
. 17 . 3099 . 1 1 11 . CG2 C -6.036 0.851 3.252 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2x 1
. 17 . 3100 . 1 1 11 . H H -4.569 3.725 0.759 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2x 1
. 17 . 3101 . 1 1 11 . HA H -6.060 3.654 3.252 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2x 1
. 17 . 3102 . 1 1 11 . HD11 H -6.937 0.889 -0.441 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2x 1
. 17 . 3103 . 1 1 11 . HD12 H -8.584 1.122 0.146 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2x 1
. 17 . 3104 . 1 1 11 . HD13 H -7.495 0.017 0.987 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2x 1
. 17 . 3105 . 1 1 11 . HD2 H -8.939 2.502 1.848 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2x 1
. 17 . 3106 . 1 1 11 . HG1 H -6.934 2.957 0.696 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2x 1
. 17 . 3107 . 1 1 11 . HG21 H -6.522 -0.029 2.860 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2x 1
. 17 . 3108 . 1 1 11 . HG22 H -6.674 1.319 3.987 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2x 1
. 17 . 3109 . 1 1 11 . HG23 H -5.102 0.567 3.715 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2x 1
. 17 . 3110 . 1 1 11 . HG3 H -3.919 1.560 1.550 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2x 1
. 17 . 3111 . 1 1 11 . N N -4.911 4.097 1.599 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2x 1
. 17 . 3112 . 1 1 11 . OD2 O -8.094 2.398 2.291 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2x 1
. 17 . 3113 . 1 1 11 . OG3 O -4.791 1.274 1.267 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2x 1
. 17 . 3114 . 1 1 12 . C C -0.692 1.945 4.173 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2x 1
. 17 . 3115 . 1 1 12 . CA C -2.039 2.469 4.287 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2x 1
. 17 . 3116 . 1 1 12 . CB C -2.549 3.005 5.511 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2x 1
. 17 . 3117 . 1 1 12 . HB H -2.008 3.074 6.443 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2x 1
. 17 . 3118 . 1 1 12 . N N -2.918 2.497 3.259 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2x 1
. 17 . 3119 . 1 1 12 . O O 0.124 1.917 5.094 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2x 1
. 17 . 3120 . 1 1 12 . SG S -4.135 3.510 5.255 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2x 1
. 17 . 3121 . 1 1 13 THR C C 1.461 1.655 1.390 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2x 1
. 17 . 3122 . 1 1 13 THR CA C 0.896 0.942 2.616 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2x 1
. 17 . 3123 . 1 1 13 THR CB C 0.837 -0.585 2.389 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2x 1
. 17 . 3124 . 1 1 13 THR CG2 C 0.464 -1.317 3.668 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2x 1
. 17 . 3125 . 1 1 13 THR H H -1.116 1.509 2.265 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2x 1
. 17 . 3126 . 1 1 13 THR HA H 1.551 1.123 3.455 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2x 1
. 17 . 3127 . 1 1 13 THR HB H 1.803 -0.938 2.052 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2x 1
. 17 . 3128 . 1 1 13 THR HG21 H 0.424 -2.380 3.474 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2x 1
. 17 . 3129 . 1 1 13 THR HG22 H -0.502 -0.977 4.010 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2x 1
. 17 . 3130 . 1 1 13 THR HG23 H 1.206 -1.118 4.427 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2x 1
. 17 . 3131 . 1 1 13 THR N N -0.419 1.483 2.954 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2x 1
. 17 . 3132 . 1 1 13 THR OG1 O -0.212 -0.917 1.393 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2x 1
. 17 . 3133 . 1 1 14 . C C 4.086 1.971 -1.037 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2x 1
. 17 . 3134 . 1 1 14 . CA C 2.824 2.165 -0.247 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2x 1
. 17 . 3135 . 1 1 14 . CB C 1.807 3.138 -0.494 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2x 1
. 17 . 3136 . 1 1 14 . HB H 1.812 3.868 -1.290 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2x 1
. 17 . 3137 . 1 1 14 . N N 2.582 1.365 0.815 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2x 1
. 17 . 3138 . 1 1 14 . SG S 0.598 2.955 0.665 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2x 1
. 17 . 3139 . 1 1 15 . C C 7.275 1.740 0.874 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2x 1
. 17 . 3140 . 1 1 15 . CA C 6.270 1.506 -0.183 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2x 1
. 17 . 3141 . 1 1 15 . CB C 6.651 0.591 -1.269 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2x 1
. 17 . 3142 . 1 1 15 . HB2 H 6.754 -0.406 -0.870 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2x 1
. 17 . 3143 . 1 1 15 . HB3 H 7.598 0.903 -1.687 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2x 1
. 17 . 3144 . 1 1 15 . N N 5.156 2.133 -0.039 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2x 1
. 17 . 3145 . 1 1 16 . C C 10.506 1.081 2.218 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2x 1
. 17 . 3146 . 1 1 16 . CA C 9.164 1.561 1.959 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2x 1
. 17 . 3147 . 1 1 16 . CB C 8.495 2.484 2.825 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2x 1
. 17 . 3148 . 1 1 16 . HB H 8.901 2.906 3.732 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2x 1
. 17 . 3149 . 1 1 16 . N N 8.437 1.179 0.887 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2x 1
. 17 . 3150 . 1 1 16 . O O 11.188 1.417 3.184 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2x 1
. 17 . 3151 . 1 1 16 . SG S 6.964 2.798 2.193 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2x 1
. 17 . 3152 . 1 1 17 DHA C C 12.392 -1.276 0.038 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2x 1
. 17 . 3153 . 1 1 17 DHA CA C 12.230 -0.459 1.235 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2x 1
. 17 . 3154 . 1 1 17 DHA CB C 13.183 -0.368 2.156 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2x 1
. 17 . 3155 . 1 1 17 DHA H H 10.295 0.037 0.552 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2x 1
. 17 . 3156 . 1 1 17 DHA HB1 H 13.034 0.244 3.029 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2x 1
. 17 . 3157 . 1 1 17 DHA HB2 H 14.109 -0.906 2.035 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2x 1
. 17 . 3158 . 1 1 17 DHA N N 10.923 0.225 1.281 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2x 1
. 17 . 3159 . 1 1 17 DHA O O 11.452 -1.296 -0.759 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2x 1
. 17 . 3160 . 1 1 18 NH2 HN1 H 13.603 -2.505 -0.976 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . rr_2l2x 1
. 17 . 3161 . 1 1 18 NH2 HN2 H 14.236 -1.917 0.492 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . rr_2l2x 1
. 17 . 3162 . 1 1 18 NH2 N N 13.514 -1.962 -0.165 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . rr_2l2x 1
. 18 . 3163 . 1 1 1 QUA C10 C -3.043 -2.399 -2.373 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2x 1
. 18 . 3164 . 1 1 1 QUA C11 C 0.171 -1.196 0.110 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2x 1
. 18 . 3165 . 1 1 1 QUA C13 C -1.441 -2.839 -4.315 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2x 1
. 18 . 3166 . 1 1 1 QUA C14 C -1.364 -4.357 -4.391 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2x 1
. 18 . 3167 . 1 1 1 QUA C2 C -0.979 -1.613 -0.748 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2x 1
. 18 . 3168 . 1 1 1 QUA C3 C -0.691 -2.004 -2.049 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2x 1
. 18 . 3169 . 1 1 1 QUA C4 C -1.736 -2.404 -2.882 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2x 1
. 18 . 3170 . 1 1 1 QUA C5 C -4.208 -2.804 -3.177 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2x 1
. 18 . 3171 . 1 1 1 QUA C6 C -5.348 -3.095 -2.627 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2x 1
. 18 . 3172 . 1 1 1 QUA C7 C -5.556 -3.039 -1.109 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2x 1
. 18 . 3173 . 1 1 1 QUA C8 C -4.635 -1.970 -0.460 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2x 1
. 18 . 3174 . 1 1 1 QUA C9 C -3.235 -1.993 -1.062 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2x 1
. 18 . 3175 . 1 1 1 QUA H13 H -2.235 -2.507 -4.966 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2x 1
. 18 . 3176 . 1 1 1 QUA H141 H -0.574 -4.710 -3.745 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2x 1
. 18 . 3177 . 1 1 1 QUA H142 H -1.160 -4.658 -5.407 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2x 1
. 18 . 3178 . 1 1 1 QUA H143 H -2.305 -4.783 -4.073 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2x 1
. 18 . 3179 . 1 1 1 QUA H15 H -0.368 -1.749 -5.561 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2x 1
. 18 . 3180 . 1 1 1 QUA H16 H -4.585 0.002 -0.396 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2x 1
. 18 . 3181 . 1 1 1 QUA HC3 H 0.326 -1.998 -2.411 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2x 1
. 18 . 3182 . 1 1 1 QUA HC5 H -4.116 -2.861 -4.250 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2x 1
. 18 . 3183 . 1 1 1 QUA HC6 H -6.173 -3.387 -3.258 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2x 1
. 18 . 3184 . 1 1 1 QUA HC71 H -6.583 -2.793 -0.893 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2x 1
. 18 . 3185 . 1 1 1 QUA HC8 H -4.571 -2.178 0.598 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2x 1
. 18 . 3186 . 1 1 1 QUA N1 N -2.236 -1.598 -0.229 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2x 1
. 18 . 3187 . 1 1 1 QUA O12 O 1.331 -1.141 -0.298 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2x 1
. 18 . 3188 . 1 1 1 QUA O15 O -0.206 -2.281 -4.780 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2x 1
. 18 . 3189 . 1 1 1 QUA O16 O -5.225 -0.676 -0.628 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2x 1
. 18 . 3190 . 1 1 2 ILE C C -4.525 -4.977 1.714 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2x 1
. 18 . 3191 . 1 1 2 ILE CA C -5.707 -4.607 0.823 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2x 1
. 18 . 3192 . 1 1 2 ILE CB C -6.792 -5.700 0.932 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2x 1
. 18 . 3193 . 1 1 2 ILE CD1 C -7.287 -8.132 0.325 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2x 1
. 18 . 3194 . 1 1 2 ILE CG1 C -6.409 -6.920 0.086 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2x 1
. 18 . 3195 . 1 1 2 ILE CG2 C -8.142 -5.145 0.500 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2x 1
. 18 . 3196 . 1 1 2 ILE H H -4.314 -4.592 -0.662 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2x 1
. 18 . 3197 . 1 1 2 ILE HA H -6.130 -3.675 1.175 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2x 1
. 18 . 3198 . 1 1 2 ILE HB H -6.868 -5.998 1.967 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2x 1
. 18 . 3199 . 1 1 2 ILE HD11 H -7.283 -8.378 1.377 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2x 1
. 18 . 3200 . 1 1 2 ILE HD12 H -6.906 -8.969 -0.241 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2x 1
. 18 . 3201 . 1 1 2 ILE HD13 H -8.296 -7.914 0.011 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2x 1
. 18 . 3202 . 1 1 2 ILE HG12 H -6.485 -6.663 -0.959 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2x 1
. 18 . 3203 . 1 1 2 ILE HG13 H -5.390 -7.200 0.309 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2x 1
. 18 . 3204 . 1 1 2 ILE HG21 H -8.911 -5.879 0.685 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2x 1
. 18 . 3205 . 1 1 2 ILE HG22 H -8.115 -4.910 -0.553 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2x 1
. 18 . 3206 . 1 1 2 ILE HG23 H -8.358 -4.248 1.063 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2x 1
. 18 . 3207 . 1 1 2 ILE N N -5.274 -4.411 -0.591 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2x 1
. 18 . 3208 . 1 1 2 ILE O O -4.532 -4.708 2.915 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2x 1
. 18 . 3209 . 1 1 3 ALA C C -1.120 -6.128 0.876 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2x 1
. 18 . 3210 . 1 1 3 ALA CA C -2.294 -5.957 1.836 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2x 1
. 18 . 3211 . 1 1 3 ALA CB C -2.513 -7.231 2.639 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2x 1
. 18 . 3212 . 1 1 3 ALA H H -3.581 -5.813 0.161 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2x 1
. 18 . 3213 . 1 1 3 ALA HA H -2.066 -5.159 2.527 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2x 1
. 18 . 3214 . 1 1 3 ALA HB1 H -3.341 -7.091 3.318 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2x 1
. 18 . 3215 . 1 1 3 ALA HB2 H -1.619 -7.460 3.202 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2x 1
. 18 . 3216 . 1 1 3 ALA HB3 H -2.732 -8.047 1.967 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2x 1
. 18 . 3217 . 1 1 3 ALA N N -3.510 -5.595 1.114 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2x 1
. 18 . 3218 . 1 1 3 ALA O O -1.098 -7.064 0.076 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2x 1
. 18 . 3219 . 1 1 4 DHA C C 1.956 -4.059 0.526 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2x 1
. 18 . 3220 . 1 1 4 DHA CA C 1.036 -5.102 0.099 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2x 1
. 18 . 3221 . 1 1 4 DHA CB C 1.286 -5.839 -0.973 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2x 1
. 18 . 3222 . 1 1 4 DHA H H -0.230 -4.571 1.704 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2x 1
. 18 . 3223 . 1 1 4 DHA HB1 H 0.593 -6.607 -1.277 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2x 1
. 18 . 3224 . 1 1 4 DHA HB2 H 2.185 -5.669 -1.546 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2x 1
. 18 . 3225 . 1 1 4 DHA N N -0.148 -5.218 0.974 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2x 1
. 18 . 3226 . 1 1 4 DHA O O 1.655 -3.423 1.535 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2x 1
. 18 . 3227 . 1 1 5 ALA C C 4.188 -1.785 -0.996 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2x 1
. 18 . 3228 . 1 1 5 ALA CA C 3.985 -2.747 0.172 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2x 1
. 18 . 3229 . 1 1 5 ALA CB C 5.318 -3.332 0.615 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2x 1
. 18 . 3230 . 1 1 5 ALA H H 3.252 -4.373 -0.969 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2x 1
. 18 . 3231 . 1 1 5 ALA HA H 3.564 -2.201 1.004 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2x 1
. 18 . 3232 . 1 1 5 ALA HB1 H 5.148 -4.061 1.394 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2x 1
. 18 . 3233 . 1 1 5 ALA HB2 H 5.950 -2.542 0.993 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2x 1
. 18 . 3234 . 1 1 5 ALA HB3 H 5.799 -3.809 -0.225 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2x 1
. 18 . 3235 . 1 1 5 ALA N N 3.058 -3.818 -0.185 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2x 1
. 18 . 3236 . 1 1 5 ALA O O 4.471 -2.210 -2.117 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2x 1
. 18 . 3237 . 1 1 6 SER C C 3.172 0.441 -2.821 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2x 1
. 18 . 3238 . 1 1 6 SER CA C 4.200 0.563 -1.793 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2x 1
. 18 . 3239 . 1 1 6 SER CB C 5.638 0.534 -2.385 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2x 1
. 18 . 3240 . 1 1 6 SER H H 3.827 -0.215 0.196 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2x 1
. 18 . 3241 . 1 1 6 SER HB2 H 5.785 -0.376 -2.945 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2x 1
. 18 . 3242 . 1 1 6 SER HB3 H 5.777 1.385 -3.036 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2x 1
. 18 . 3243 . 1 1 6 SER N N 4.042 -0.485 -0.721 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2x 1
. 18 . 3244 . 1 1 7 . C C -0.104 1.069 -4.108 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2x 1
. 18 . 3245 . 1 1 7 . CA C 1.264 0.639 -3.900 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2x 1
. 18 . 3246 . 1 1 7 . CB C 1.978 -0.131 -4.865 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2x 1
. 18 . 3247 . 1 1 7 . HB H 1.593 -0.465 -5.817 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2x 1
. 18 . 3248 . 1 1 7 . N N 1.971 0.929 -2.787 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2x 1
. 18 . 3249 . 1 1 7 . O O -0.774 0.807 -5.108 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2x 1
. 18 . 3250 . 1 1 7 . SG S 3.522 -0.432 -4.267 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2x 1
. 18 . 3251 . 1 1 8 THR C C -1.924 3.832 -2.790 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2x 1
. 18 . 3252 . 1 1 8 THR CA C -1.928 2.337 -3.100 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2x 1
. 18 . 3253 . 1 1 8 THR CB C -2.829 1.602 -2.086 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2x 1
. 18 . 3254 . 1 1 8 THR CG2 C -2.234 1.650 -0.685 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2x 1
. 18 . 3255 . 1 1 8 THR H H 0.011 1.977 -2.329 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2x 1
. 18 . 3256 . 1 1 8 THR HA H -2.342 2.190 -4.088 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2x 1
. 18 . 3257 . 1 1 8 THR HB H -2.910 0.567 -2.388 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2x 1
. 18 . 3258 . 1 1 8 THR HG1 H -4.445 2.297 -2.978 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2x 1
. 18 . 3259 . 1 1 8 THR HG21 H -1.214 1.297 -0.715 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2x 1
. 18 . 3260 . 1 1 8 THR HG22 H -2.813 1.020 -0.026 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2x 1
. 18 . 3261 . 1 1 8 THR HG23 H -2.254 2.665 -0.318 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2x 1
. 18 . 3262 . 1 1 8 THR N N -0.572 1.797 -3.096 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2x 1
. 18 . 3263 . 1 1 8 THR O O -0.887 4.400 -2.446 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2x 1
. 18 . 3264 . 1 1 8 THR OG1 O -4.138 2.184 -2.074 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2x 1
. 18 . 3265 . 1 1 9 DBU C C -3.834 6.302 -1.404 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2x 1
. 18 . 3266 . 1 1 9 DBU CA C -3.289 5.903 -2.724 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2x 1
. 18 . 3267 . 1 1 9 DBU CB C -3.014 6.822 -3.643 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2x 1
. 18 . 3268 . 1 1 9 DBU CG C -2.448 6.477 -5.027 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2x 1
. 18 . 3269 . 1 1 9 DBU HG1 H -2.338 7.382 -5.606 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2x 1
. 18 . 3270 . 1 1 9 DBU HG2 H -3.122 5.804 -5.534 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2x 1
. 18 . 3271 . 1 1 9 DBU HG3 H -1.483 6.002 -4.913 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2x 1
. 18 . 3272 . 1 1 9 DBU N N -3.086 4.464 -2.914 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2x 1
. 18 . 3273 . 1 1 10 . C C -5.016 5.394 1.838 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 C . . . . . . . . . rr_2l2x 1
. 18 . 3274 . 1 1 10 . CA C -4.607 6.089 0.633 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 CA . . . . . . . . . rr_2l2x 1
. 18 . 3275 . 1 1 10 . CB C -4.677 7.513 0.514 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 CB . . . . . . . . . rr_2l2x 1
. 18 . 3276 . 1 1 10 . HB H -5.029 8.192 1.277 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 HB . . . . . . . . . rr_2l2x 1
. 18 . 3277 . 1 1 10 . N N -4.129 5.462 -0.466 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 N . . . . . . . . . rr_2l2x 1
. 18 . 3278 . 1 1 10 . O O -5.440 5.951 2.851 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 O . . . . . . . . . rr_2l2x 1
. 18 . 3279 . 1 1 10 . SG S -4.122 7.952 -1.013 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 SG . . . . . . . . . rr_2l2x 1
. 18 . 3280 . 1 1 11 . C C -4.031 2.965 3.742 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2x 1
. 18 . 3281 . 1 1 11 . CA C -5.253 3.194 2.851 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2x 1
. 18 . 3282 . 1 1 11 . CB C -5.845 1.838 2.328 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2x 1
. 18 . 3283 . 1 1 11 . CD1 C -7.765 0.997 0.762 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2x 1
. 18 . 3284 . 1 1 11 . CG1 C -7.081 2.185 1.427 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2x 1
. 18 . 3285 . 1 1 11 . CG2 C -6.250 0.959 3.472 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2x 1
. 18 . 3286 . 1 1 11 . H H -4.561 3.680 0.908 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2x 1
. 18 . 3287 . 1 1 11 . HA H -6.013 3.700 3.428 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2x 1
. 18 . 3288 . 1 1 11 . HD11 H -7.042 0.443 0.183 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2x 1
. 18 . 3289 . 1 1 11 . HD12 H -8.549 1.353 0.110 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2x 1
. 18 . 3290 . 1 1 11 . HD13 H -8.190 0.354 1.518 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2x 1
. 18 . 3291 . 1 1 11 . HD2 H -8.752 2.260 2.473 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2x 1
. 18 . 3292 . 1 1 11 . HG1 H -6.774 2.869 0.652 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2x 1
. 18 . 3293 . 1 1 11 . HG21 H -5.373 0.650 4.020 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2x 1
. 18 . 3294 . 1 1 11 . HG22 H -6.763 0.087 3.096 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2x 1
. 18 . 3295 . 1 1 11 . HG23 H -6.907 1.508 4.130 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2x 1
. 18 . 3296 . 1 1 11 . HG3 H -4.298 1.828 1.126 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2x 1
. 18 . 3297 . 1 1 11 . N N -4.896 4.072 1.742 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2x 1
. 18 . 3298 . 1 1 11 . OD2 O -8.021 2.851 2.280 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2x 1
. 18 . 3299 . 1 1 11 . OG3 O -4.868 1.177 1.543 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2x 1
. 18 . 3300 . 1 1 12 . C C -0.669 1.864 4.216 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2x 1
. 18 . 3301 . 1 1 12 . CA C -2.013 2.385 4.368 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2x 1
. 18 . 3302 . 1 1 12 . CB C -2.506 2.863 5.621 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2x 1
. 18 . 3303 . 1 1 12 . HB H -1.954 2.884 6.550 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2x 1
. 18 . 3304 . 1 1 12 . N N -2.904 2.464 3.352 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2x 1
. 18 . 3305 . 1 1 12 . O O 0.152 1.785 5.130 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2x 1
. 18 . 3306 . 1 1 12 . SG S -4.092 3.385 5.409 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2x 1
. 18 . 3307 . 1 1 13 THR C C 1.466 1.625 1.391 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2x 1
. 18 . 3308 . 1 1 13 THR CA C 0.898 0.909 2.613 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2x 1
. 18 . 3309 . 1 1 13 THR CB C 0.807 -0.610 2.370 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2x 1
. 18 . 3310 . 1 1 13 THR CG2 C 0.384 -1.345 3.632 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2x 1
. 18 . 3311 . 1 1 13 THR H H -1.094 1.552 2.285 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2x 1
. 18 . 3312 . 1 1 13 THR HA H 1.565 1.067 3.448 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2x 1
. 18 . 3313 . 1 1 13 THR HB H 1.770 -0.985 2.053 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2x 1
. 18 . 3314 . 1 1 13 THR HG21 H -0.598 -1.010 3.931 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2x 1
. 18 . 3315 . 1 1 13 THR HG22 H 1.090 -1.140 4.422 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2x 1
. 18 . 3316 . 1 1 13 THR HG23 H 0.358 -2.408 3.440 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2x 1
. 18 . 3317 . 1 1 13 THR N N -0.402 1.468 2.974 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2x 1
. 18 . 3318 . 1 1 13 THR OG1 O -0.225 -0.906 1.347 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2x 1
. 18 . 3319 . 1 1 14 . C C 4.095 1.938 -1.037 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2x 1
. 18 . 3320 . 1 1 14 . CA C 2.834 2.133 -0.244 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2x 1
. 18 . 3321 . 1 1 14 . CB C 1.820 3.112 -0.488 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2x 1
. 18 . 3322 . 1 1 14 . HB H 1.829 3.844 -1.282 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2x 1
. 18 . 3323 . 1 1 14 . N N 2.586 1.331 0.815 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2x 1
. 18 . 3324 . 1 1 14 . SG S 0.610 2.931 0.670 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2x 1
. 18 . 3325 . 1 1 15 . C C 7.295 1.762 0.862 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2x 1
. 18 . 3326 . 1 1 15 . CA C 6.289 1.507 -0.190 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2x 1
. 18 . 3327 . 1 1 15 . CB C 6.677 0.592 -1.271 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2x 1
. 18 . 3328 . 1 1 15 . HB2 H 6.800 -0.400 -0.866 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2x 1
. 18 . 3329 . 1 1 15 . HB3 H 7.616 0.916 -1.698 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2x 1
. 18 . 3330 . 1 1 15 . N N 5.167 2.119 -0.044 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2x 1
. 18 . 3331 . 1 1 16 . C C 10.564 1.222 2.175 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2x 1
. 18 . 3332 . 1 1 16 . CA C 9.200 1.645 1.931 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2x 1
. 18 . 3333 . 1 1 16 . CB C 8.499 2.526 2.816 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2x 1
. 18 . 3334 . 1 1 16 . HB H 8.894 2.953 3.725 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2x 1
. 18 . 3335 . 1 1 16 . N N 8.481 1.250 0.856 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2x 1
. 18 . 3336 . 1 1 16 . O O 11.234 1.569 3.147 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2x 1
. 18 . 3337 . 1 1 16 . SG S 6.952 2.786 2.199 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2x 1
. 18 . 3338 . 1 1 17 DHA C C 12.528 -1.083 0.005 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2x 1
. 18 . 3339 . 1 1 17 DHA CA C 12.372 -0.188 1.146 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2x 1
. 18 . 3340 . 1 1 17 DHA CB C 13.366 0.042 1.998 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2x 1
. 18 . 3341 . 1 1 17 DHA H H 10.393 0.176 0.505 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2x 1
. 18 . 3342 . 1 1 17 DHA HB1 H 13.220 0.710 2.832 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2x 1
. 18 . 3343 . 1 1 17 DHA HB2 H 14.321 -0.438 1.862 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2x 1
. 18 . 3344 . 1 1 17 DHA N N 11.023 0.405 1.221 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2x 1
. 18 . 3345 . 1 1 17 DHA O O 11.551 -1.231 -0.728 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2x 1
. 18 . 3346 . 1 1 18 NH2 HN1 H 13.768 -2.302 -0.986 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . rr_2l2x 1
. 18 . 3347 . 1 1 18 NH2 HN2 H 14.437 -1.559 0.394 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . rr_2l2x 1
. 18 . 3348 . 1 1 18 NH2 N N 13.686 -1.705 -0.213 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . rr_2l2x 1
. 19 . 3349 . 1 1 1 QUA C10 C -3.149 -2.433 -2.253 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2x 1
. 19 . 3350 . 1 1 1 QUA C11 C 0.139 -1.209 0.128 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2x 1
. 19 . 3351 . 1 1 1 QUA C13 C -1.615 -2.786 -4.266 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2x 1
. 19 . 3352 . 1 1 1 QUA C14 C -1.489 -4.298 -4.380 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2x 1
. 19 . 3353 . 1 1 1 QUA C2 C -1.037 -1.636 -0.692 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2x 1
. 19 . 3354 . 1 1 1 QUA C3 C -0.794 -1.987 -2.013 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2x 1
. 19 . 3355 . 1 1 1 QUA C4 C -1.862 -2.393 -2.812 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2x 1
. 19 . 3356 . 1 1 1 QUA C5 C -4.334 -2.847 -3.020 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2x 1
. 19 . 3357 . 1 1 1 QUA C6 C -5.447 -3.172 -2.435 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2x 1
. 19 . 3358 . 1 1 1 QUA C7 C -5.604 -3.152 -0.911 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2x 1
. 19 . 3359 . 1 1 1 QUA C8 C -4.669 -2.092 -0.263 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2x 1
. 19 . 3360 . 1 1 1 QUA C9 C -3.295 -2.065 -0.924 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2x 1
. 19 . 3361 . 1 1 1 QUA H13 H -2.444 -2.467 -4.876 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2x 1
. 19 . 3362 . 1 1 1 QUA H141 H -2.286 -4.769 -3.824 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2x 1
. 19 . 3363 . 1 1 1 QUA H142 H -0.536 -4.612 -3.978 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2x 1
. 19 . 3364 . 1 1 1 QUA H143 H -1.555 -4.588 -5.418 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2x 1
. 19 . 3365 . 1 1 1 QUA H15 H 0.328 -2.758 -4.616 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2x 1
. 19 . 3366 . 1 1 1 QUA H16 H -5.494 -0.609 -1.268 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2x 1
. 19 . 3367 . 1 1 1 QUA HC3 H 0.208 -1.947 -2.416 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2x 1
. 19 . 3368 . 1 1 1 QUA HC5 H -4.282 -2.881 -4.096 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2x 1
. 19 . 3369 . 1 1 1 QUA HC6 H -6.289 -3.468 -3.044 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2x 1
. 19 . 3370 . 1 1 1 QUA HC71 H -6.626 -2.917 -0.657 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2x 1
. 19 . 3371 . 1 1 1 QUA HC8 H -4.556 -2.340 0.781 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2x 1
. 19 . 3372 . 1 1 1 QUA N1 N -2.271 -1.664 -0.122 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2x 1
. 19 . 3373 . 1 1 1 QUA O12 O 1.281 -1.129 -0.324 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2x 1
. 19 . 3374 . 1 1 1 QUA O15 O -0.418 -2.175 -4.768 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2x 1
. 19 . 3375 . 1 1 1 QUA O16 O -5.288 -0.804 -0.351 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2x 1
. 19 . 3376 . 1 1 2 ILE C C -4.417 -5.141 1.811 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2x 1
. 19 . 3377 . 1 1 2 ILE CA C -5.649 -4.756 0.997 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2x 1
. 19 . 3378 . 1 1 2 ILE CB C -6.722 -5.854 1.152 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2x 1
. 19 . 3379 . 1 1 2 ILE CD1 C -7.212 -8.301 0.616 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2x 1
. 19 . 3380 . 1 1 2 ILE CG1 C -6.361 -7.085 0.311 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2x 1
. 19 . 3381 . 1 1 2 ILE CG2 C -8.087 -5.312 0.750 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2x 1
. 19 . 3382 . 1 1 2 ILE H H -4.347 -4.722 -0.570 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2x 1
. 19 . 3383 . 1 1 2 ILE HA H -6.052 -3.831 1.388 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2x 1
. 19 . 3384 . 1 1 2 ILE HB H -6.768 -6.137 2.192 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2x 1
. 19 . 3385 . 1 1 2 ILE HD11 H -6.812 -9.160 0.096 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2x 1
. 19 . 3386 . 1 1 2 ILE HD12 H -8.225 -8.124 0.287 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2x 1
. 19 . 3387 . 1 1 2 ILE HD13 H -7.206 -8.488 1.679 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2x 1
. 19 . 3388 . 1 1 2 ILE HG12 H -6.488 -6.849 -0.734 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2x 1
. 19 . 3389 . 1 1 2 ILE HG13 H -5.329 -7.349 0.493 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2x 1
. 19 . 3390 . 1 1 2 ILE HG21 H -8.102 -5.129 -0.315 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2x 1
. 19 . 3391 . 1 1 2 ILE HG22 H -8.276 -4.388 1.275 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2x 1
. 19 . 3392 . 1 1 2 ILE HG23 H -8.850 -6.032 1.003 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2x 1
. 19 . 3393 . 1 1 2 ILE N N -5.300 -4.536 -0.436 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2x 1
. 19 . 3394 . 1 1 2 ILE O O -4.360 -4.910 3.020 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2x 1
. 19 . 3395 . 1 1 3 ALA C C -1.046 -6.214 0.772 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2x 1
. 19 . 3396 . 1 1 3 ALA CA C -2.181 -6.115 1.786 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2x 1
. 19 . 3397 . 1 1 3 ALA CB C -2.346 -7.435 2.525 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2x 1
. 19 . 3398 . 1 1 3 ALA H H -3.551 -5.917 0.184 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2x 1
. 19 . 3399 . 1 1 3 ALA HA H -1.935 -5.353 2.511 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2x 1
. 19 . 3400 . 1 1 3 ALA HB1 H -1.426 -7.677 3.036 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2x 1
. 19 . 3401 . 1 1 3 ALA HB2 H -2.582 -8.216 1.816 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2x 1
. 19 . 3402 . 1 1 3 ALA HB3 H -3.146 -7.348 3.245 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2x 1
. 19 . 3403 . 1 1 3 ALA N N -3.432 -5.733 1.139 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2x 1
. 19 . 3404 . 1 1 3 ALA O O -1.047 -7.099 -0.084 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2x 1
. 19 . 3405 . 1 1 4 DHA C C 1.984 -4.081 0.446 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2x 1
. 19 . 3406 . 1 1 4 DHA CA C 1.094 -5.144 0.012 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2x 1
. 19 . 3407 . 1 1 4 DHA CB C 1.363 -5.868 -1.066 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2x 1
. 19 . 3408 . 1 1 4 DHA H H -0.169 -4.666 1.632 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2x 1
. 19 . 3409 . 1 1 4 DHA HB1 H 0.691 -6.653 -1.374 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2x 1
. 19 . 3410 . 1 1 4 DHA HB2 H 2.258 -5.672 -1.638 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2x 1
. 19 . 3411 . 1 1 4 DHA N N -0.083 -5.297 0.887 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2x 1
. 19 . 3412 . 1 1 4 DHA O O 1.664 -3.460 1.459 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2x 1
. 19 . 3413 . 1 1 5 ALA C C 4.183 -1.750 -1.042 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2x 1
. 19 . 3414 . 1 1 5 ALA CA C 3.986 -2.724 0.117 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2x 1
. 19 . 3415 . 1 1 5 ALA CB C 5.325 -3.288 0.571 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2x 1
. 19 . 3416 . 1 1 5 ALA H H 3.291 -4.352 -1.045 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2x 1
. 19 . 3417 . 1 1 5 ALA HA H 3.547 -2.192 0.948 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2x 1
. 19 . 3418 . 1 1 5 ALA HB1 H 5.167 -3.972 1.393 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2x 1
. 19 . 3419 . 1 1 5 ALA HB2 H 5.965 -2.480 0.894 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2x 1
. 19 . 3420 . 1 1 5 ALA HB3 H 5.791 -3.813 -0.249 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2x 1
. 19 . 3421 . 1 1 5 ALA N N 3.082 -3.809 -0.257 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2x 1
. 19 . 3422 . 1 1 5 ALA O O 4.458 -2.163 -2.168 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2x 1
. 19 . 3423 . 1 1 6 SER C C 3.201 0.508 -2.851 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2x 1
. 19 . 3424 . 1 1 6 SER CA C 4.215 0.610 -1.807 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2x 1
. 19 . 3425 . 1 1 6 SER CB C 5.662 0.577 -2.378 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2x 1
. 19 . 3426 . 1 1 6 SER H H 3.814 -0.193 0.166 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2x 1
. 19 . 3427 . 1 1 6 SER HB2 H 5.808 -0.323 -2.954 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2x 1
. 19 . 3428 . 1 1 6 SER HB3 H 5.821 1.439 -3.012 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2x 1
. 19 . 3429 . 1 1 6 SER N N 4.039 -0.452 -0.753 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2x 1
. 19 . 3430 . 1 1 7 . C C -0.060 1.171 -4.164 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2x 1
. 19 . 3431 . 1 1 7 . CA C 1.305 0.732 -3.947 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2x 1
. 19 . 3432 . 1 1 7 . CB C 2.028 -0.023 -4.918 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2x 1
. 19 . 3433 . 1 1 7 . HB H 1.653 -0.338 -5.880 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2x 1
. 19 . 3434 . 1 1 7 . N N 2.001 0.999 -2.821 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2x 1
. 19 . 3435 . 1 1 7 . O O -0.716 0.932 -5.177 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2x 1
. 19 . 3436 . 1 1 7 . SG S 3.564 -0.339 -4.309 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2x 1
. 19 . 3437 . 1 1 8 THR C C -1.910 3.904 -2.826 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2x 1
. 19 . 3438 . 1 1 8 THR CA C -1.903 2.412 -3.152 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2x 1
. 19 . 3439 . 1 1 8 THR CB C -2.810 1.665 -2.151 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2x 1
. 19 . 3440 . 1 1 8 THR CG2 C -2.203 1.662 -0.756 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2x 1
. 19 . 3441 . 1 1 8 THR H H 0.030 2.040 -2.364 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2x 1
. 19 . 3442 . 1 1 8 THR HA H -2.307 2.272 -4.143 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2x 1
. 19 . 3443 . 1 1 8 THR HB H -2.916 0.643 -2.483 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2x 1
. 19 . 3444 . 1 1 8 THR HG1 H -4.758 1.624 -1.841 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2x 1
. 19 . 3445 . 1 1 8 THR HG21 H -2.209 2.665 -0.357 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2x 1
. 19 . 3446 . 1 1 8 THR HG22 H -1.186 1.301 -0.807 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2x 1
. 19 . 3447 . 1 1 8 THR HG23 H -2.782 1.015 -0.114 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2x 1
. 19 . 3448 . 1 1 8 THR N N -0.543 1.875 -3.142 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2x 1
. 19 . 3449 . 1 1 8 THR O O -0.890 4.466 -2.427 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2x 1
. 19 . 3450 . 1 1 8 THR OG1 O -4.105 2.275 -2.111 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2x 1
. 19 . 3451 . 1 1 9 DBU C C -3.831 6.367 -1.480 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2x 1
. 19 . 3452 . 1 1 9 DBU CA C -3.280 5.978 -2.801 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2x 1
. 19 . 3453 . 1 1 9 DBU CB C -3.012 6.903 -3.716 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2x 1
. 19 . 3454 . 1 1 9 DBU CG C -2.441 6.565 -5.101 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2x 1
. 19 . 3455 . 1 1 9 DBU HG1 H -1.485 6.076 -4.987 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2x 1
. 19 . 3456 . 1 1 9 DBU HG2 H -2.314 7.474 -5.670 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2x 1
. 19 . 3457 . 1 1 9 DBU HG3 H -3.123 5.907 -5.620 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2x 1
. 19 . 3458 . 1 1 9 DBU N N -3.066 4.540 -2.996 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2x 1
. 19 . 3459 . 1 1 10 . C C -5.003 5.426 1.759 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 C . . . . . . . . . rr_2l2x 1
. 19 . 3460 . 1 1 10 . CA C -4.602 6.135 0.557 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 CA . . . . . . . . . rr_2l2x 1
. 19 . 3461 . 1 1 10 . CB C -4.690 7.559 0.445 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 CB . . . . . . . . . rr_2l2x 1
. 19 . 3462 . 1 1 10 . HB H -5.050 8.231 1.210 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 HB . . . . . . . . . rr_2l2x 1
. 19 . 3463 . 1 1 10 . N N -4.116 5.519 -0.546 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 N . . . . . . . . . rr_2l2x 1
. 19 . 3464 . 1 1 10 . O O -5.429 5.971 2.777 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 O . . . . . . . . . rr_2l2x 1
. 19 . 3465 . 1 1 10 . SG S -4.140 8.012 -1.082 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 SG . . . . . . . . . rr_2l2x 1
. 19 . 3466 . 1 1 11 . C C -3.997 3.012 3.660 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2x 1
. 19 . 3467 . 1 1 11 . CA C -5.213 3.210 2.753 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2x 1
. 19 . 3468 . 1 1 11 . CB C -5.747 1.837 2.211 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2x 1
. 19 . 3469 . 1 1 11 . CD1 C -7.543 0.974 0.521 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2x 1
. 19 . 3470 . 1 1 11 . CG1 C -7.040 2.130 1.375 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2x 1
. 19 . 3471 . 1 1 11 . CG2 C -6.051 0.902 3.341 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2x 1
. 19 . 3472 . 1 1 11 . H H -4.535 3.725 0.813 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2x 1
. 19 . 3473 . 1 1 11 . HA H -5.998 3.687 3.321 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2x 1
. 19 . 3474 . 1 1 11 . HD11 H -6.908 0.865 -0.345 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2x 1
. 19 . 3475 . 1 1 11 . HD12 H -8.555 1.178 0.202 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2x 1
. 19 . 3476 . 1 1 11 . HD13 H -7.525 0.061 1.098 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2x 1
. 19 . 3477 . 1 1 11 . HD2 H -8.462 3.322 2.046 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2x 1
. 19 . 3478 . 1 1 11 . HG1 H -6.858 2.970 0.724 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2x 1
. 19 . 3479 . 1 1 11 . HG21 H -6.579 0.039 2.964 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2x 1
. 19 . 3480 . 1 1 11 . HG22 H -6.664 1.407 4.073 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2x 1
. 19 . 3481 . 1 1 11 . HG23 H -5.129 0.582 3.803 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2x 1
. 19 . 3482 . 1 1 11 . HG3 H -4.868 1.604 0.478 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2x 1
. 19 . 3483 . 1 1 11 . N N -4.870 4.106 1.652 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2x 1
. 19 . 3484 . 1 1 11 . OD2 O -8.055 2.498 2.320 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2x 1
. 19 . 3485 . 1 1 11 . OG3 O -4.768 1.259 1.368 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2x 1
. 19 . 3486 . 1 1 12 . C C -0.651 1.888 4.191 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2x 1
. 19 . 3487 . 1 1 12 . CA C -1.987 2.435 4.317 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2x 1
. 19 . 3488 . 1 1 12 . CB C -2.475 2.979 5.545 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2x 1
. 19 . 3489 . 1 1 12 . HB H -1.925 3.038 6.472 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2x 1
. 19 . 3490 . 1 1 12 . N N -2.875 2.478 3.297 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2x 1
. 19 . 3491 . 1 1 12 . O O 0.167 1.831 5.109 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2x 1
. 19 . 3492 . 1 1 12 . SG S -4.055 3.513 5.304 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2x 1
. 19 . 3493 . 1 1 13 THR C C 1.480 1.626 1.387 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2x 1
. 19 . 3494 . 1 1 13 THR CA C 0.921 0.902 2.608 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2x 1
. 19 . 3495 . 1 1 13 THR CB C 0.854 -0.619 2.364 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2x 1
. 19 . 3496 . 1 1 13 THR CG2 C 0.507 -1.365 3.641 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2x 1
. 19 . 3497 . 1 1 13 THR H H -1.090 1.488 2.278 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2x 1
. 19 . 3498 . 1 1 13 THR HA H 1.582 1.070 3.444 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2x 1
. 19 . 3499 . 1 1 13 THR HB H 1.812 -0.969 2.003 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2x 1
. 19 . 3500 . 1 1 13 THR HG21 H 1.263 -1.172 4.387 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2x 1
. 19 . 3501 . 1 1 13 THR HG22 H 0.463 -2.425 3.439 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2x 1
. 19 . 3502 . 1 1 13 THR HG23 H -0.452 -1.028 4.005 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2x 1
. 19 . 3503 . 1 1 13 THR N N -0.388 1.447 2.962 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2x 1
. 19 . 3504 . 1 1 13 THR OG1 O -0.213 -0.937 1.383 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2x 1
. 19 . 3505 . 1 1 14 . C C 4.109 1.973 -1.031 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2x 1
. 19 . 3506 . 1 1 14 . CA C 2.842 2.153 -0.244 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2x 1
. 19 . 3507 . 1 1 14 . CB C 1.816 3.119 -0.489 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2x 1
. 19 . 3508 . 1 1 14 . HB H 1.816 3.852 -1.283 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2x 1
. 19 . 3509 . 1 1 14 . N N 2.604 1.347 0.814 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2x 1
. 19 . 3510 . 1 1 14 . SG S 0.607 2.921 0.667 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2x 1
. 19 . 3511 . 1 1 15 . C C 7.278 1.742 0.915 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2x 1
. 19 . 3512 . 1 1 15 . CA C 6.287 1.510 -0.159 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2x 1
. 19 . 3513 . 1 1 15 . CB C 6.681 0.602 -1.246 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2x 1
. 19 . 3514 . 1 1 15 . HB2 H 6.781 -0.396 -0.852 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2x 1
. 19 . 3515 . 1 1 15 . HB3 H 7.633 0.917 -1.651 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2x 1
. 19 . 3516 . 1 1 15 . N N 5.170 2.131 -0.022 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2x 1
. 19 . 3517 . 1 1 16 . C C 10.499 1.127 2.310 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2x 1
. 19 . 3518 . 1 1 16 . CA C 9.151 1.583 2.031 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2x 1
. 19 . 3519 . 1 1 16 . CB C 8.452 2.484 2.895 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2x 1
. 19 . 3520 . 1 1 16 . HB H 8.836 2.904 3.813 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2x 1
. 19 . 3521 . 1 1 16 . N N 8.449 1.201 0.939 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2x 1
. 19 . 3522 . 1 1 16 . O O 11.150 1.458 3.299 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2x 1
. 19 . 3523 . 1 1 16 . SG S 6.928 2.780 2.240 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2x 1
. 19 . 3524 . 1 1 17 DHA C C 12.463 -1.223 0.192 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2x 1
. 19 . 3525 . 1 1 17 DHA CA C 12.292 -0.337 1.338 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2x 1
. 19 . 3526 . 1 1 17 DHA CB C 13.257 -0.155 2.232 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2x 1
. 19 . 3527 . 1 1 17 DHA H H 10.350 0.095 0.630 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2x 1
. 19 . 3528 . 1 1 17 DHA HB1 H 13.101 0.506 3.069 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2x 1
. 19 . 3529 . 1 1 17 DHA HB2 H 14.199 -0.665 2.126 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2x 1
. 19 . 3530 . 1 1 17 DHA N N 10.960 0.298 1.370 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2x 1
. 19 . 3531 . 1 1 17 DHA O O 11.512 -1.328 -0.582 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2x 1
. 19 . 3532 . 1 1 18 NH2 HN1 H 13.704 -2.468 -0.766 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . rr_2l2x 1
. 19 . 3533 . 1 1 18 NH2 HN2 H 14.338 -1.766 0.649 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . rr_2l2x 1
. 19 . 3534 . 1 1 18 NH2 N N 13.608 -1.879 0.011 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . rr_2l2x 1
. 20 . 3535 . 1 1 1 QUA C10 C -3.087 -2.414 -2.289 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C10 . . . . . . . . . rr_2l2x 1
. 20 . 3536 . 1 1 1 QUA C11 C 0.169 -1.214 0.146 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C11 . . . . . . . . . rr_2l2x 1
. 20 . 3537 . 1 1 1 QUA C13 C -1.516 -2.833 -4.263 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C13 . . . . . . . . . rr_2l2x 1
. 20 . 3538 . 1 1 1 QUA C14 C -1.440 -4.350 -4.357 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C14 . . . . . . . . . rr_2l2x 1
. 20 . 3539 . 1 1 1 QUA C2 C -0.994 -1.632 -0.696 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C2 . . . . . . . . . rr_2l2x 1
. 20 . 3540 . 1 1 1 QUA C3 C -0.729 -2.011 -2.003 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C3 . . . . . . . . . rr_2l2x 1
. 20 . 3541 . 1 1 1 QUA C4 C -1.787 -2.411 -2.820 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C4 . . . . . . . . . rr_2l2x 1
. 20 . 3542 . 1 1 1 QUA C5 C -4.264 -2.821 -3.074 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C5 . . . . . . . . . rr_2l2x 1
. 20 . 3543 . 1 1 1 QUA C6 C -5.396 -3.113 -2.507 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C6 . . . . . . . . . rr_2l2x 1
. 20 . 3544 . 1 1 1 QUA C7 C -5.585 -3.058 -0.987 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C7 . . . . . . . . . rr_2l2x 1
. 20 . 3545 . 1 1 1 QUA C8 C -4.645 -2.000 -0.344 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C8 . . . . . . . . . rr_2l2x 1
. 20 . 3546 . 1 1 1 QUA C9 C -3.255 -2.018 -0.972 . . . 1.0 . . . . . . . . . . . . A . 0 QUA C9 . . . . . . . . . rr_2l2x 1
. 20 . 3547 . 1 1 1 QUA H13 H -2.320 -2.494 -4.896 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H13 . . . . . . . . . rr_2l2x 1
. 20 . 3548 . 1 1 1 QUA H141 H -1.218 -4.636 -5.373 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H141 . . . . . . . . . rr_2l2x 1
. 20 . 3549 . 1 1 1 QUA H142 H -2.386 -4.777 -4.060 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H142 . . . . . . . . . rr_2l2x 1
. 20 . 3550 . 1 1 1 QUA H143 H -0.660 -4.711 -3.703 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H143 . . . . . . . . . rr_2l2x 1
. 20 . 3551 . 1 1 1 QUA H15 H 0.099 -2.856 -5.396 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H15 . . . . . . . . . rr_2l2x 1
. 20 . 3552 . 1 1 1 QUA H16 H -5.747 -0.674 -1.301 . . . 1.0 . . . . . . . . . . . . A . 0 QUA H16 . . . . . . . . . rr_2l2x 1
. 20 . 3553 . 1 1 1 QUA HC3 H 0.283 -1.999 -2.383 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC3 . . . . . . . . . rr_2l2x 1
. 20 . 3554 . 1 1 1 QUA HC5 H -4.189 -2.879 -4.149 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC5 . . . . . . . . . rr_2l2x 1
. 20 . 3555 . 1 1 1 QUA HC6 H -6.231 -3.405 -3.128 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC6 . . . . . . . . . rr_2l2x 1
. 20 . 3556 . 1 1 1 QUA HC71 H -6.607 -2.799 -0.758 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC71 . . . . . . . . . rr_2l2x 1
. 20 . 3557 . 1 1 1 QUA HC8 H -4.563 -2.219 0.709 . . . 1.0 . . . . . . . . . . . . A . 0 QUA HC8 . . . . . . . . . rr_2l2x 1
. 20 . 3558 . 1 1 1 QUA N1 N -2.242 -1.625 -0.154 . . . 1.0 . . . . . . . . . . . . A . 0 QUA N1 . . . . . . . . . rr_2l2x 1
. 20 . 3559 . 1 1 1 QUA O12 O 1.323 -1.156 -0.278 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O12 . . . . . . . . . rr_2l2x 1
. 20 . 3560 . 1 1 1 QUA O15 O -0.289 -2.270 -4.742 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O15 . . . . . . . . . rr_2l2x 1
. 20 . 3561 . 1 1 1 QUA O16 O -5.235 -0.705 -0.488 . . . 1.0 . . . . . . . . . . . . A . 0 QUA O16 . . . . . . . . . rr_2l2x 1
. 20 . 3562 . 1 1 2 ILE C C -4.447 -4.977 1.795 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2l2x 1
. 20 . 3563 . 1 1 2 ILE CA C -5.674 -4.612 0.964 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2l2x 1
. 20 . 3564 . 1 1 2 ILE CB C -6.751 -5.701 1.147 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2l2x 1
. 20 . 3565 . 1 1 2 ILE CD1 C -7.285 -8.138 0.608 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2l2x 1
. 20 . 3566 . 1 1 2 ILE CG1 C -6.410 -6.938 0.309 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2l2x 1
. 20 . 3567 . 1 1 2 ILE CG2 C -8.119 -5.152 0.768 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2l2x 1
. 20 . 3568 . 1 1 2 ILE H H -4.369 -4.649 -0.601 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H . . . . . . . . . rr_2l2x 1
. 20 . 3569 . 1 1 2 ILE HA H -6.074 -3.675 1.327 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2l2x 1
. 20 . 3570 . 1 1 2 ILE HB H -6.778 -5.977 2.192 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2l2x 1
. 20 . 3571 . 1 1 2 ILE HD11 H -8.311 -7.908 0.360 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2l2x 1
. 20 . 3572 . 1 1 2 ILE HD12 H -7.215 -8.382 1.658 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2l2x 1
. 20 . 3573 . 1 1 2 ILE HD13 H -6.953 -8.981 0.020 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2l2x 1
. 20 . 3574 . 1 1 2 ILE HG12 H -6.526 -6.698 -0.736 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2l2x 1
. 20 . 3575 . 1 1 2 ILE HG13 H -5.384 -7.221 0.496 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2l2x 1
. 20 . 3576 . 1 1 2 ILE HG21 H -8.304 -4.239 1.316 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2l2x 1
. 20 . 3577 . 1 1 2 ILE HG22 H -8.880 -5.878 1.014 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2l2x 1
. 20 . 3578 . 1 1 2 ILE HG23 H -8.145 -4.949 -0.292 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2l2x 1
. 20 . 3579 . 1 1 2 ILE N N -5.317 -4.437 -0.474 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2l2x 1
. 20 . 3580 . 1 1 2 ILE O O -4.419 -4.765 3.007 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2l2x 1
. 20 . 3581 . 1 1 3 ALA C C -1.053 -6.042 0.784 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2l2x 1
. 20 . 3582 . 1 1 3 ALA CA C -2.187 -5.896 1.793 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2l2x 1
. 20 . 3583 . 1 1 3 ALA CB C -2.363 -7.186 2.581 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2l2x 1
. 20 . 3584 . 1 1 3 ALA H H -3.529 -5.694 0.169 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2l2x 1
. 20 . 3585 . 1 1 3 ALA HA H -1.935 -5.109 2.489 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2l2x 1
. 20 . 3586 . 1 1 3 ALA HB1 H -2.646 -7.983 1.909 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2l2x 1
. 20 . 3587 . 1 1 3 ALA HB2 H -3.134 -7.052 3.325 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2l2x 1
. 20 . 3588 . 1 1 3 ALA HB3 H -1.433 -7.440 3.068 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2l2x 1
. 20 . 3589 . 1 1 3 ALA N N -3.434 -5.529 1.130 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2l2x 1
. 20 . 3590 . 1 1 3 ALA O O -1.088 -6.924 -0.073 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2l2x 1
. 20 . 3591 . 1 1 4 DHA C C 2.062 -4.031 0.456 . . . 1.0 . . . . . . . . . . . . A . 3 DHA C . . . . . . . . . rr_2l2x 1
. 20 . 3592 . 1 1 4 DHA CA C 1.129 -5.059 0.026 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CA . . . . . . . . . rr_2l2x 1
. 20 . 3593 . 1 1 4 DHA CB C 1.369 -5.793 -1.051 . . . 1.0 . . . . . . . . . . . . A . 3 DHA CB . . . . . . . . . rr_2l2x 1
. 20 . 3594 . 1 1 4 DHA H H -0.111 -4.538 1.652 . . . 1.0 . . . . . . . . . . . . A . 3 DHA H . . . . . . . . . rr_2l2x 1
. 20 . 3595 . 1 1 4 DHA HB1 H 0.667 -6.552 -1.360 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB1 . . . . . . . . . rr_2l2x 1
. 20 . 3596 . 1 1 4 DHA HB2 H 2.269 -5.630 -1.625 . . . 1.0 . . . . . . . . . . . . A . 3 DHA HB2 . . . . . . . . . rr_2l2x 1
. 20 . 3597 . 1 1 4 DHA N N -0.052 -5.167 0.903 . . . 1.0 . . . . . . . . . . . . A . 3 DHA N . . . . . . . . . rr_2l2x 1
. 20 . 3598 . 1 1 4 DHA O O 1.769 -3.396 1.470 . . . 1.0 . . . . . . . . . . . . A . 3 DHA O . . . . . . . . . rr_2l2x 1
. 20 . 3599 . 1 1 5 ALA C C 4.251 -1.749 -1.050 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_2l2x 1
. 20 . 3600 . 1 1 5 ALA CA C 4.100 -2.738 0.101 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_2l2x 1
. 20 . 3601 . 1 1 5 ALA CB C 5.453 -3.323 0.478 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_2l2x 1
. 20 . 3602 . 1 1 5 ALA H H 3.361 -4.373 -1.025 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_2l2x 1
. 20 . 3603 . 1 1 5 ALA HA H 3.707 -2.216 0.961 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_2l2x 1
. 20 . 3604 . 1 1 5 ALA HB1 H 5.328 -4.028 1.287 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_2l2x 1
. 20 . 3605 . 1 1 5 ALA HB2 H 6.113 -2.528 0.791 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_2l2x 1
. 20 . 3606 . 1 1 5 ALA HB3 H 5.877 -3.828 -0.377 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_2l2x 1
. 20 . 3607 . 1 1 5 ALA N N 3.167 -3.806 -0.249 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_2l2x 1
. 20 . 3608 . 1 1 5 ALA O O 4.531 -2.145 -2.182 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_2l2x 1
. 20 . 3609 . 1 1 6 SER C C 3.165 0.499 -2.822 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_2l2x 1
. 20 . 3610 . 1 1 6 SER CA C 4.199 0.610 -1.800 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_2l2x 1
. 20 . 3611 . 1 1 6 SER CB C 5.634 0.607 -2.404 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_2l2x 1
. 20 . 3612 . 1 1 6 SER H H 3.831 -0.216 0.168 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_2l2x 1
. 20 . 3613 . 1 1 6 SER HB2 H 5.779 -0.283 -2.995 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_2l2x 1
. 20 . 3614 . 1 1 6 SER HB3 H 5.766 1.479 -3.028 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_2l2x 1
. 20 . 3615 . 1 1 6 SER N N 4.063 -0.461 -0.751 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_2l2x 1
. 20 . 3616 . 1 1 7 . C C -0.119 1.134 -4.075 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 C . . . . . . . . . rr_2l2x 1
. 20 . 3617 . 1 1 7 . CA C 1.250 0.705 -3.885 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CA . . . . . . . . . rr_2l2x 1
. 20 . 3618 . 1 1 7 . CB C 1.957 -0.054 -4.863 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 CB . . . . . . . . . rr_2l2x 1
. 20 . 3619 . 1 1 7 . HB H 1.565 -0.379 -5.816 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 HB . . . . . . . . . rr_2l2x 1
. 20 . 3620 . 1 1 7 . N N 1.964 0.983 -2.773 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 N . . . . . . . . . rr_2l2x 1
. 20 . 3621 . 1 1 7 . O O -0.793 0.894 -5.078 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 O . . . . . . . . . rr_2l2x 1
. 20 . 3622 . 1 1 7 . SG S 3.506 -0.358 -4.281 . . . 1.0 . . . . . . . . . . . . A . 6 BB9 SG . . . . . . . . . rr_2l2x 1
. 20 . 3623 . 1 1 8 THR C C -1.971 3.839 -2.697 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2l2x 1
. 20 . 3624 . 1 1 8 THR CA C -1.951 2.348 -3.020 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2l2x 1
. 20 . 3625 . 1 1 8 THR CB C -2.827 1.591 -1.999 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2l2x 1
. 20 . 3626 . 1 1 8 THR CG2 C -2.195 1.608 -0.612 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2l2x 1
. 20 . 3627 . 1 1 8 THR H H 0.004 2.002 -2.276 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2l2x 1
. 20 . 3628 . 1 1 8 THR HA H -2.379 2.203 -4.001 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2l2x 1
. 20 . 3629 . 1 1 8 THR HB H -2.918 0.564 -2.322 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2l2x 1
. 20 . 3630 . 1 1 8 THR HG1 H -4.608 1.984 -2.750 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2l2x 1
. 20 . 3631 . 1 1 8 THR HG21 H -2.750 0.955 0.043 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2l2x 1
. 20 . 3632 . 1 1 8 THR HG22 H -2.215 2.614 -0.219 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2l2x 1
. 20 . 3633 . 1 1 8 THR HG23 H -1.173 1.268 -0.678 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2l2x 1
. 20 . 3634 . 1 1 8 THR N N -0.586 1.831 -3.042 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2l2x 1
. 20 . 3635 . 1 1 8 THR O O -1.001 4.384 -2.172 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2l2x 1
. 20 . 3636 . 1 1 8 THR OG1 O -4.132 2.178 -1.940 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2l2x 1
. 20 . 3637 . 1 1 9 DBU C C -3.857 6.320 -1.506 . . . 1.0 . . . . . . . . . . . . A . 8 DBU C . . . . . . . . . rr_2l2x 1
. 20 . 3638 . 1 1 9 DBU CA C -3.306 5.930 -2.826 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CA . . . . . . . . . rr_2l2x 1
. 20 . 3639 . 1 1 9 DBU CB C -3.043 6.853 -3.745 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CB . . . . . . . . . rr_2l2x 1
. 20 . 3640 . 1 1 9 DBU CG C -2.473 6.514 -5.130 . . . 1.0 . . . . . . . . . . . . A . 8 DBU CG . . . . . . . . . rr_2l2x 1
. 20 . 3641 . 1 1 9 DBU HG1 H -3.129 5.817 -5.630 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG1 . . . . . . . . . rr_2l2x 1
. 20 . 3642 . 1 1 9 DBU HG2 H -1.494 6.071 -5.018 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG2 . . . . . . . . . rr_2l2x 1
. 20 . 3643 . 1 1 9 DBU HG3 H -2.394 7.418 -5.717 . . . 1.0 . . . . . . . . . . . . A . 8 DBU HG3 . . . . . . . . . rr_2l2x 1
. 20 . 3644 . 1 1 9 DBU N N -3.085 4.492 -3.015 . . . 1.0 . . . . . . . . . . . . A . 8 DBU N . . . . . . . . . rr_2l2x 1
. 20 . 3645 . 1 1 10 . C C -5.037 5.384 1.730 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 C . . . . . . . . . rr_2l2x 1
. 20 . 3646 . 1 1 10 . CA C -4.632 6.091 0.530 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 CA . . . . . . . . . rr_2l2x 1
. 20 . 3647 . 1 1 10 . CB C -4.717 7.514 0.417 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 CB . . . . . . . . . rr_2l2x 1
. 20 . 3648 . 1 1 10 . HB H -5.077 8.187 1.181 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 HB . . . . . . . . . rr_2l2x 1
. 20 . 3649 . 1 1 10 . N N -4.144 5.473 -0.572 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 N . . . . . . . . . rr_2l2x 1
. 20 . 3650 . 1 1 10 . O O -5.468 5.928 2.747 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 O . . . . . . . . . rr_2l2x 1
. 20 . 3651 . 1 1 10 . SG S -4.163 7.966 -1.108 . . . 1.0 . . . . . . . . . . . . A . 9 BB9 SG . . . . . . . . . rr_2l2x 1
. 20 . 3652 . 1 1 11 . C C -4.074 2.947 3.637 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 C . . . . . . . . . rr_2l2x 1
. 20 . 3653 . 1 1 11 . CA C -5.275 3.169 2.715 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CA . . . . . . . . . rr_2l2x 1
. 20 . 3654 . 1 1 11 . CB C -5.832 1.812 2.156 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CB . . . . . . . . . rr_2l2x 1
. 20 . 3655 . 1 1 11 . CD1 C -7.706 0.990 0.527 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CD1 . . . . . . . . . rr_2l2x 1
. 20 . 3656 . 1 1 11 . CG1 C -7.136 2.139 1.348 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG1 . . . . . . . . . rr_2l2x 1
. 20 . 3657 . 1 1 11 . CG2 C -6.127 0.855 3.270 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 CG2 . . . . . . . . . rr_2l2x 1
. 20 . 3658 . 1 1 11 . H H -4.547 3.684 0.793 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 H . . . . . . . . . rr_2l2x 1
. 20 . 3659 . 1 1 11 . HA H -6.059 3.656 3.276 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HA . . . . . . . . . rr_2l2x 1
. 20 . 3660 . 1 1 11 . HD11 H -7.859 0.131 1.162 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD11 . . . . . . . . . rr_2l2x 1
. 20 . 3661 . 1 1 11 . HD12 H -7.015 0.737 -0.262 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD12 . . . . . . . . . rr_2l2x 1
. 20 . 3662 . 1 1 11 . HD13 H -8.649 1.291 0.096 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD13 . . . . . . . . . rr_2l2x 1
. 20 . 3663 . 1 1 11 . HD2 H -8.399 1.798 2.827 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HD2 . . . . . . . . . rr_2l2x 1
. 20 . 3664 . 1 1 11 . HG1 H -6.942 2.963 0.679 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG1 . . . . . . . . . rr_2l2x 1
. 20 . 3665 . 1 1 11 . HG21 H -6.758 1.337 4.002 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG21 . . . . . . . . . rr_2l2x 1
. 20 . 3666 . 1 1 11 . HG22 H -5.204 0.545 3.736 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG22 . . . . . . . . . rr_2l2x 1
. 20 . 3667 . 1 1 11 . HG23 H -6.635 -0.012 2.876 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG23 . . . . . . . . . rr_2l2x 1
. 20 . 3668 . 1 1 11 . HG3 H -4.832 0.295 1.425 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 HG3 . . . . . . . . . rr_2l2x 1
. 20 . 3669 . 1 1 11 . N N -4.904 4.064 1.624 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 N . . . . . . . . . rr_2l2x 1
. 20 . 3670 . 1 1 11 . OD2 O -8.111 2.557 2.314 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OD2 . . . . . . . . . rr_2l2x 1
. 20 . 3671 . 1 1 11 . OG3 O -4.874 1.243 1.283 . . . 1.0 . . . . . . . . . . . . A . 10 TS9 OG3 . . . . . . . . . rr_2l2x 1
. 20 . 3672 . 1 1 12 . C C -0.719 1.860 4.198 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 C . . . . . . . . . rr_2l2x 1
. 20 . 3673 . 1 1 12 . CA C -2.069 2.377 4.315 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CA . . . . . . . . . rr_2l2x 1
. 20 . 3674 . 1 1 12 . CB C -2.596 2.854 5.555 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 CB . . . . . . . . . rr_2l2x 1
. 20 . 3675 . 1 1 12 . HB H -2.067 2.879 6.496 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 HB . . . . . . . . . rr_2l2x 1
. 20 . 3676 . 1 1 12 . N N -2.935 2.451 3.277 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 N . . . . . . . . . rr_2l2x 1
. 20 . 3677 . 1 1 12 . O O 0.081 1.791 5.131 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 O . . . . . . . . . rr_2l2x 1
. 20 . 3678 . 1 1 12 . SG S -4.178 3.369 5.301 . . . 1.0 . . . . . . . . . . . . A . 11 BB9 SG . . . . . . . . . rr_2l2x 1
. 20 . 3679 . 1 1 13 THR C C 1.467 1.636 1.412 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_2l2x 1
. 20 . 3680 . 1 1 13 THR CA C 0.894 0.915 2.630 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_2l2x 1
. 20 . 3681 . 1 1 13 THR CB C 0.834 -0.607 2.391 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_2l2x 1
. 20 . 3682 . 1 1 13 THR CG2 C 0.453 -1.351 3.660 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_2l2x 1
. 20 . 3683 . 1 1 13 THR H H -1.103 1.523 2.263 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_2l2x 1
. 20 . 3684 . 1 1 13 THR HA H 1.544 1.088 3.474 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_2l2x 1
. 20 . 3685 . 1 1 13 THR HB H 1.799 -0.959 2.053 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_2l2x 1
. 20 . 3686 . 1 1 13 THR HG21 H 0.430 -2.413 3.462 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_2l2x 1
. 20 . 3687 . 1 1 13 THR HG22 H -0.522 -1.026 3.990 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_2l2x 1
. 20 . 3688 . 1 1 13 THR HG23 H 1.181 -1.145 4.431 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_2l2x 1
. 20 . 3689 . 1 1 13 THR N N -0.423 1.455 2.964 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_2l2x 1
. 20 . 3690 . 1 1 13 THR OG1 O -0.211 -0.926 1.389 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_2l2x 1
. 20 . 3691 . 1 1 14 . C C 4.098 1.967 -1.011 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 C . . . . . . . . . rr_2l2x 1
. 20 . 3692 . 1 1 14 . CA C 2.836 2.154 -0.218 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CA . . . . . . . . . rr_2l2x 1
. 20 . 3693 . 1 1 14 . CB C 1.823 3.134 -0.455 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 CB . . . . . . . . . rr_2l2x 1
. 20 . 3694 . 1 1 14 . HB H 1.833 3.872 -1.244 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 HB . . . . . . . . . rr_2l2x 1
. 20 . 3695 . 1 1 14 . N N 2.588 1.344 0.837 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 N . . . . . . . . . rr_2l2x 1
. 20 . 3696 . 1 1 14 . SG S 0.612 2.947 0.700 . . . 1.0 . . . . . . . . . . . . A . 13 BB9 SG . . . . . . . . . rr_2l2x 1
. 20 . 3697 . 1 1 15 . C C 7.289 1.705 0.891 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 C . . . . . . . . . rr_2l2x 1
. 20 . 3698 . 1 1 15 . CA C 6.287 1.501 -0.175 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CA . . . . . . . . . rr_2l2x 1
. 20 . 3699 . 1 1 15 . CB C 6.677 0.631 -1.294 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 CB . . . . . . . . . rr_2l2x 1
. 20 . 3700 . 1 1 15 . HB2 H 6.811 -0.375 -0.928 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB2 . . . . . . . . . rr_2l2x 1
. 20 . 3701 . 1 1 15 . HB3 H 7.612 0.979 -1.712 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 HB3 . . . . . . . . . rr_2l2x 1
. 20 . 3702 . 1 1 15 . N N 5.166 2.108 -0.006 . . . 1.0 . . . . . . . . . . . . A . 14 MH6 N . . . . . . . . . rr_2l2x 1
. 20 . 3703 . 1 1 16 . C C 10.528 1.044 2.215 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 C . . . . . . . . . rr_2l2x 1
. 20 . 3704 . 1 1 16 . CA C 9.178 1.512 1.972 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CA . . . . . . . . . rr_2l2x 1
. 20 . 3705 . 1 1 16 . CB C 8.493 2.386 2.874 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 CB . . . . . . . . . rr_2l2x 1
. 20 . 3706 . 1 1 16 . HB H 8.892 2.779 3.797 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 HB . . . . . . . . . rr_2l2x 1
. 20 . 3707 . 1 1 16 . N N 8.461 1.162 0.882 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 N . . . . . . . . . rr_2l2x 1
. 20 . 3708 . 1 1 16 . O O 11.201 1.351 3.198 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 O . . . . . . . . . rr_2l2x 1
. 20 . 3709 . 1 1 16 . SG S 6.959 2.702 2.251 . . . 1.0 . . . . . . . . . . . . A . 15 BB9 SG . . . . . . . . . rr_2l2x 1
. 20 . 3710 . 1 1 17 DHA C C 12.401 -1.342 0.059 . . . 1.0 . . . . . . . . . . . . A . 16 DHA C . . . . . . . . . rr_2l2x 1
. 20 . 3711 . 1 1 17 DHA CA C 12.291 -0.409 1.176 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CA . . . . . . . . . rr_2l2x 1
. 20 . 3712 . 1 1 17 DHA CB C 13.302 -0.191 2.011 . . . 1.0 . . . . . . . . . . . . A . 16 DHA CB . . . . . . . . . rr_2l2x 1
. 20 . 3713 . 1 1 17 DHA H H 10.331 0.031 0.529 . . . 1.0 . . . . . . . . . . . . A . 16 DHA H . . . . . . . . . rr_2l2x 1
. 20 . 3714 . 1 1 17 DHA HB1 H 13.189 0.504 2.827 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB1 . . . . . . . . . rr_2l2x 1
. 20 . 3715 . 1 1 17 DHA HB2 H 14.238 -0.706 1.877 . . . 1.0 . . . . . . . . . . . . A . 16 DHA HB2 . . . . . . . . . rr_2l2x 1
. 20 . 3716 . 1 1 17 DHA N N 10.964 0.228 1.252 . . . 1.0 . . . . . . . . . . . . A . 16 DHA N . . . . . . . . . rr_2l2x 1
. 20 . 3717 . 1 1 17 DHA O O 11.410 -1.478 -0.657 . . . 1.0 . . . . . . . . . . . . A . 16 DHA O . . . . . . . . . rr_2l2x 1
. 20 . 3718 . 1 1 18 NH2 HN1 H 13.589 -2.628 -0.911 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . rr_2l2x 1
. 20 . 3719 . 1 1 18 NH2 HN2 H 14.298 -1.868 0.438 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . rr_2l2x 1
. 20 . 3720 . 1 1 18 NH2 N N 13.535 -2.005 -0.156 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . rr_2l2x 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_2l2x
_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 2l2x.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_2l2x 1
1 2l2x.mr . . XPLOR/CNS 2 distance NOE simple 159 rr_2l2x 1
1 2l2x.mr . . XPLOR/CNS 3 distance NOE ambi 8 rr_2l2x 1
1 2l2x.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_2l2x 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_2l2x
_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: '2l2x'" . . . . distance "general distance" . 130 rr_2l2x 1
2 "From CCPN project: '2l2x'" . . . . distance "general distance" . 8 rr_2l2x 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 2l2x.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_2l2x 1
1 2l2x.mr . . XPLOR/CNS 2 distance NOE simple 159 rr_2l2x 1
1 2l2x.mr . . XPLOR/CNS 3 distance NOE ambi 8 rr_2l2x 1
1 2l2x.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_2l2x 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_2l2x
_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_2l2x 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 HC5 H . . . 1 1 1 1 QUA HC6 H . . . . . 2.18 1.59 2.77 . . . . . A . . QUA HC5 . . A . . QUA HC6 . . . 0 . HC5 . . . . . 0 . HC6 . . rr_2l2x 1
2 1 . . 1 1 1 1 QUA HC5 H . . . 1 1 1 1 QUA HC71 H . . . . . 5.06 1.22 6.50 . . . . . A . . QUA HC5 . . A . . QUA HC71 . . . 0 . HC5 . . . . . 0 . HC71 . . rr_2l2x 1
3 1 . . 1 1 1 1 QUA HC5 H . . . 1 1 1 1 QUA H13 H . . . . . 2.03 1.62 2.44 . . . . . A . . QUA HC5 . . A . . QUA H13 . . . 0 . HC5 . . . . . 0 . H13 . . rr_2l2x 1
4 1 . . 1 1 1 1 QUA HC6 H . . . 1 1 1 1 QUA HC71 H . . . . . 2.26 1.62 2.90 . . . . . A . . QUA HC6 . . A . . QUA HC71 . . . 0 . HC6 . . . . . 0 . HC71 . . rr_2l2x 1
5 1 . . 1 1 1 1 QUA HC6 H . . . 1 1 1 1 QUA HC8 H . . . . . 4.19 1.99 6.39 . . . . . A . . QUA HC6 . . A . . QUA HC8 . . . 0 . HC6 . . . . . 0 . HC8 . . rr_2l2x 1
6 1 . . 1 1 1 1 QUA HC6 H . . . 1 1 1 1 QUA H13 H . . . . . 4.80 1.92 6.50 . . . . . A . . QUA HC6 . . A . . QUA H13 . . . 0 . HC6 . . . . . 0 . H13 . . rr_2l2x 1
7 1 . . 1 1 1 1 QUA HC71 H . . . 1 1 1 1 QUA HC8 H . . . . . 2.46 1.85 3.07 . . . . . A . . QUA HC71 . . A . . QUA HC8 . . . 0 . HC71 . . . . . 0 . HC8 . . rr_2l2x 1
8 1 . . 1 1 1 1 QUA H13 H . . . 1 1 1 1 QUA M14 H . . . . . 2.46 1.55 3.37 . . . . . A . . QUA H13 . . A . . QUA M14 . . . 0 . H13 . . . . . 0 . H14# . . rr_2l2x 1
9 1 . . 1 1 2 2 ILE HA H . . . 1 1 2 2 ILE HB H . . . . . 2.59 1.92 3.26 . . . . . A . 1 ILE HA . . A . 1 ILE HB . . . 1 . HA . . . . . 1 . HB . . rr_2l2x 1
10 1 . . 1 1 2 2 ILE HA H . . . 1 1 2 2 ILE MG H . . . . . 2.69 1.96 3.42 . . . . . A . 1 ILE HA . . A . 1 ILE MG . . . 1 . HA . . . . . 1 . HG2# . . rr_2l2x 1
11 1 . . 1 1 3 3 ALA H H . . . 1 1 3 3 ALA HA H . . . . . 2.72 1.98 3.46 . . . . . A . 2 ALA H . . A . 2 ALA HA . . . 2 . H . . . . . 2 . HA . . rr_2l2x 1
12 1 . . 1 1 3 3 ALA H H . . . 1 1 3 3 ALA MB H . . . . . 3.00 2.10 3.90 . . . . . A . 2 ALA H . . A . 2 ALA MB . . . 2 . H . . . . . 2 . HB# . . rr_2l2x 1
13 1 . . 1 1 3 3 ALA HA H . . . 1 1 3 3 ALA MB H . . . . . 2.47 1.71 3.23 . . . . . A . 2 ALA HA . . A . 2 ALA MB . . . 2 . HA . . . . . 2 . HB# . . rr_2l2x 1
14 1 . . 1 1 4 4 DHA H H . . . 1 1 4 4 DHA HB1 H . . . . . 3.30 2.21 4.39 . . . . . A . 3 DHA H . . A . 3 DHA HB1 . . . 3 . H . . . . . 3 . HB1 . . rr_2l2x 1
15 1 . . 1 1 4 4 DHA H H . . . 1 1 4 4 DHA HB2 H . . . . . 3.55 1.98 5.12 . . . . . A . 3 DHA H . . A . 3 DHA HB2 . . . 3 . H . . . . . 3 . HB2 . . rr_2l2x 1
16 1 . . 1 1 4 4 DHA HB1 H . . . 1 1 4 4 DHA HB2 H . . . . . 1.59 1.34 2.20 . . . . . A . 3 DHA HB1 . . A . 3 DHA HB2 . . . 3 . HB1 . . . . . 3 . HB2 . . rr_2l2x 1
17 1 . . 1 1 5 5 ALA H H . . . 1 1 5 5 ALA HA H . . . . . 2.75 2.00 3.50 . . . . . A . 4 ALA H . . A . 4 ALA HA . . . 4 . H . . . . . 4 . HA . . rr_2l2x 1
18 1 . . 1 1 5 5 ALA H H . . . 1 1 5 5 ALA MB H . . . . . 2.82 2.03 3.61 . . . . . A . 4 ALA H . . A . 4 ALA MB . . . 4 . H . . . . . 4 . HB# . . rr_2l2x 1
19 1 . . 1 1 5 5 ALA HA H . . . 1 1 5 5 ALA MB H . . . . . 2.38 1.67 3.09 . . . . . A . 4 ALA HA . . A . 4 ALA MB . . . 4 . HA . . . . . 4 . HB# . . rr_2l2x 1
20 1 . . 1 1 6 6 SER H H . . . 1 1 6 6 SER HB2 H . . . . . 3.47 1.97 4.97 . . . . . A . 5 SER H . . A . 5 SER HB2 . . . 5 . H . . . . . 5 . HB2 . . rr_2l2x 1
21 1 . . 1 1 6 6 SER H H . . . 1 1 6 6 SER HB3 H . . . . . 4.32 1.52 6.50 . . . . . A . 5 SER H . . A . 5 SER HB3 . . . 5 . H . . . . . 5 . HB3 . . rr_2l2x 1
22 1 . . 1 1 6 6 SER HB2 H . . . 1 1 6 6 SER HB3 H . . . . . 1.85 1.51 2.20 . . . . . A . 5 SER HB2 . . A . 5 SER HB3 . . . 5 . HB2 . . . . . 5 . HB3 . . rr_2l2x 1
23 1 . . 1 1 8 8 THR H H . . . 1 1 8 8 THR HA H . . . . . 2.76 1.62 3.90 . . . . . A . 7 THR H . . A . 7 THR HA . . . 7 . H . . . . . 7 . HA . . rr_2l2x 1
24 1 . . 1 1 8 8 THR H H . . . 1 1 8 8 THR HB H . . . . . 3.05 2.12 3.98 . . . . . A . 7 THR H . . A . 7 THR HB . . . 7 . H . . . . . 7 . HB . . rr_2l2x 1
25 1 . . 1 1 8 8 THR HA H . . . 1 1 8 8 THR HB H . . . . . 2.60 1.93 3.27 . . . . . A . 7 THR HA . . A . 7 THR HB . . . 7 . HA . . . . . 7 . HB . . rr_2l2x 1
26 1 . . 1 1 8 8 THR H H . . . 1 1 8 8 THR MG H . . . . . 2.65 1.95 3.35 . . . . . A . 7 THR H . . A . 7 THR MG . . . 7 . H . . . . . 7 . HG2# . . rr_2l2x 1
27 1 . . 1 1 8 8 THR HA H . . . 1 1 8 8 THR MG H . . . . . 3.49 2.27 4.71 . . . . . A . 7 THR HA . . A . 7 THR MG . . . 7 . HA . . . . . 7 . HG2# . . rr_2l2x 1
28 1 . . 1 1 11 11 Ts9 H H . . . 1 1 11 11 Ts9 HA H . . . . . 2.82 1.43 4.21 . . . . . A . 10 TS9 H . . A . 10 TS9 HA . . . 10 . H . . . . . 10 . HA . . rr_2l2x 1
29 1 . . 1 1 11 11 Ts9 H H . . . 1 1 11 11 Ts9 HG1 H . . . . . 2.63 1.94 3.32 . . . . . A . 10 TS9 H . . A . 10 TS9 HG1 . . . 10 . H . . . . . 10 . HG1 . . rr_2l2x 1
30 1 . . 1 1 11 11 Ts9 HA H . . . 1 1 11 11 Ts9 HG1 H . . . . . 3.15 2.16 4.14 . . . . . A . 10 TS9 HA . . A . 10 TS9 HG1 . . . 10 . HA . . . . . 10 . HG1 . . rr_2l2x 1
31 1 . . 1 1 13 13 THR H H . . . 1 1 13 13 THR HA H . . . . . 2.71 1.61 3.81 . . . . . A . 12 THR H . . A . 12 THR HA . . . 12 . H . . . . . 12 . HA . . rr_2l2x 1
32 1 . . 1 1 13 13 THR H H . . . 1 1 13 13 THR HB H . . . . . 3.37 2.23 4.51 . . . . . A . 12 THR H . . A . 12 THR HB . . . 12 . H . . . . . 12 . HB . . rr_2l2x 1
33 1 . . 1 1 13 13 THR H H . . . 1 1 13 13 THR MG H . . . . . 2.76 2.00 3.52 . . . . . A . 12 THR H . . A . 12 THR MG . . . 12 . H . . . . . 12 . HG2# . . rr_2l2x 1
34 1 . . 1 1 13 13 THR HA H . . . 1 1 13 13 THR HB H . . . . . 2.58 1.91 3.25 . . . . . A . 12 THR HA . . A . 12 THR HB . . . 12 . HA . . . . . 12 . HB . . rr_2l2x 1
35 1 . . 1 1 13 13 THR HA H . . . 1 1 13 13 THR MG H . . . . . 2.57 1.91 3.23 . . . . . A . 12 THR HA . . A . 12 THR MG . . . 12 . HA . . . . . 12 . HG2# . . rr_2l2x 1
36 1 . . 1 1 13 13 THR HB H . . . 1 1 13 13 THR MG H . . . . . 2.25 1.62 2.88 . . . . . A . 12 THR HB . . A . 12 THR MG . . . 12 . HB . . . . . 12 . HG2# . . rr_2l2x 1
37 1 . . 1 1 15 15 Mh6 HB2 H . . . 1 1 15 15 Mh6 HB3 H . . . . . 2.10 1.66 2.54 . . . . . A . 14 MH6 HB2 . . A . 14 MH6 HB3 . . . 14 . HB2 . . . . . 14 . HB3 . . rr_2l2x 1
38 1 . . 1 1 17 17 DHA H H . . . 1 1 17 17 DHA HB1 H . . . . . 3.31 2.22 4.40 . . . . . A . 16 DHA H . . A . 16 DHA HB1 . . . 16 . H . . . . . 16 . HB1 . . rr_2l2x 1
39 1 . . 1 1 17 17 DHA H H . . . 1 1 17 17 DHA HB2 H . . . . . 3.73 1.99 5.47 . . . . . A . 16 DHA H . . A . 16 DHA HB2 . . . 16 . H . . . . . 16 . HB2 . . rr_2l2x 1
40 1 . . 1 1 17 17 DHA HB1 H . . . 1 1 17 17 DHA HB2 H . . . . . 1.85 1.51 2.20 . . . . . A . 16 DHA HB1 . . A . 16 DHA HB2 . . . 16 . HB1 . . . . . 16 . HB2 . . rr_2l2x 1
41 1 . . 1 1 18 18 NH2 HN1 H . . . 1 1 18 18 NH2 HN2 H . . . . . 1.61 1.29 2.20 . . . . . A . 17 NH2 HN1 . . A . 17 NH2 HN2 . . . 17 . HN1 . . . . . 17 . HN2 . . rr_2l2x 1
42 1 . . 1 1 1 1 QUA HC6 H . . . 1 1 2 2 ILE HA H . . . . . 5.28 1.09 6.50 . . . . . A . . QUA HC6 . . A . 1 ILE HA . . . 0 . HC6 . . . . . 1 . HA . . rr_2l2x 1
43 1 . . 1 1 1 1 QUA HC6 H . . . 1 1 2 2 ILE MG H . . . . . 4.19 1.11 6.50 . . . . . A . . QUA HC6 . . A . 1 ILE MG . . . 0 . HC6 . . . . . 1 . HG2# . . rr_2l2x 1
44 1 . . 1 1 1 1 QUA HC71 H . . . 1 1 2 2 ILE HA H . . . . . 2.65 1.95 3.35 . . . . . A . . QUA HC71 . . A . 1 ILE HA . . . 0 . HC71 . . . . . 1 . HA . . rr_2l2x 1
45 1 . . 1 1 1 1 QUA HC71 H . . . 1 1 2 2 ILE MG H . . . . . 3.05 2.12 3.98 . . . . . A . . QUA HC71 . . A . 1 ILE MG . . . 0 . HC71 . . . . . 1 . HG2# . . rr_2l2x 1
46 1 . . 1 1 1 1 QUA HC8 H . . . 1 1 2 2 ILE HA H . . . . . 2.13 1.68 2.58 . . . . . A . . QUA HC8 . . A . 1 ILE HA . . . 0 . HC8 . . . . . 1 . HA . . rr_2l2x 1
47 1 . . 1 1 1 1 QUA HC8 H . . . 1 1 2 2 ILE HB H . . . . . 5.39 1.03 6.50 . . . . . A . . QUA HC8 . . A . 1 ILE HB . . . 0 . HC8 . . . . . 1 . HB . . rr_2l2x 1
48 1 . . 1 1 1 1 QUA HC8 H . . . 1 1 2 2 ILE MG H . . . . . 4.90 1.29 6.50 . . . . . A . . QUA HC8 . . A . 1 ILE MG . . . 0 . HC8 . . . . . 1 . HG2# . . rr_2l2x 1
49 1 . . 1 1 2 2 ILE HA H . . . 1 1 3 3 ALA H H . . . . . 3.29 2.21 4.37 . . . . . A . 1 ILE HA . . A . 2 ALA H . . . 1 . HA . . . . . 2 . H . . rr_2l2x 1
50 1 . . 1 1 2 2 ILE HA H . . . 1 1 3 3 ALA HA H . . . . . 4.19 1.56 6.50 . . . . . A . 1 ILE HA . . A . 2 ALA HA . . . 1 . HA . . . . . 2 . HA . . rr_2l2x 1
51 1 . . 1 1 2 2 ILE HB H . . . 1 1 3 3 ALA H H . . . . . 3.34 2.23 4.45 . . . . . A . 1 ILE HB . . A . 2 ALA H . . . 1 . HB . . . . . 2 . H . . rr_2l2x 1
52 1 . . 1 1 3 3 ALA H H . . . 1 1 2 2 ILE HG12 H . . . . . 3.84 1.63 6.05 . . . . . A . 2 ALA H . . A . 1 ILE HG12 . . . 2 . H . . . . . 1 . HG12 . . rr_2l2x 1
53 1 . . 1 1 3 3 ALA H H . . . 1 1 2 2 ILE HG13 H . . . . . 3.13 1.90 4.36 . . . . . A . 2 ALA H . . A . 1 ILE HG13 . . . 2 . H . . . . . 1 . HG13 . . rr_2l2x 1
54 1 . . 1 1 2 2 ILE MG H . . . 1 1 3 3 ALA H H . . . . . 3.85 2.00 5.70 . . . . . A . 1 ILE MG . . A . 2 ALA H . . . 1 . HG2# . . . . . 2 . H . . rr_2l2x 1
55 1 . . 1 1 2 2 ILE MG H . . . 1 1 3 3 ALA HA H . . . . . 5.00 1.24 6.50 . . . . . A . 1 ILE MG . . A . 2 ALA HA . . . 1 . HG2# . . . . . 2 . HA . . rr_2l2x 1
56 1 . . 1 1 3 3 ALA H H . . . 1 1 4 4 DHA HB1 H . . . . . 3.82 1.63 6.01 . . . . . A . 2 ALA H . . A . 3 DHA HB1 . . . 2 . H . . . . . 3 . HB1 . . rr_2l2x 1
57 1 . . 1 1 3 3 ALA HA H . . . 1 1 4 4 DHA H H . . . . . 2.03 1.62 2.44 . . . . . A . 2 ALA HA . . A . 3 DHA H . . . 2 . HA . . . . . 3 . H . . rr_2l2x 1
58 1 . . 1 1 3 3 ALA MB H . . . 1 1 4 4 DHA H H . . . . . 2.73 1.98 3.48 . . . . . A . 2 ALA MB . . A . 3 DHA H . . . 2 . HB# . . . . . 3 . H . . rr_2l2x 1
59 1 . . 1 1 3 3 ALA MB H . . . 1 1 4 4 DHA HB1 H . . . . . 3.89 1.24 6.50 . . . . . A . 2 ALA MB . . A . 3 DHA HB1 . . . 2 . HB# . . . . . 3 . HB1 . . rr_2l2x 1
60 1 . . 1 1 4 4 DHA H H . . . 1 1 5 5 ALA H H . . . . . 3.49 1.96 5.02 . . . . . A . 3 DHA H . . A . 4 ALA H . . . 3 . H . . . . . 4 . H . . rr_2l2x 1
61 1 . . 1 1 4 4 DHA H H . . . 1 1 5 5 ALA HA H . . . . . 3.69 1.64 5.74 . . . . . A . 3 DHA H . . A . 4 ALA HA . . . 3 . H . . . . . 4 . HA . . rr_2l2x 1
62 1 . . 1 1 4 4 DHA H H . . . 1 1 5 5 ALA MB H . . . . . 3.29 1.67 4.91 . . . . . A . 3 DHA H . . A . 4 ALA MB . . . 3 . H . . . . . 4 . HB# . . rr_2l2x 1
63 1 . . 1 1 4 4 DHA HB1 H . . . 1 1 5 5 ALA H H . . . . . 3.65 2.32 4.98 . . . . . A . 3 DHA HB1 . . A . 4 ALA H . . . 3 . HB1 . . . . . 4 . H . . rr_2l2x 1
64 1 . . 1 1 4 4 DHA HB1 H . . . 1 1 5 5 ALA MB H . . . . . 3.56 1.34 5.78 . . . . . A . 3 DHA HB1 . . A . 4 ALA MB . . . 3 . HB1 . . . . . 4 . HB# . . rr_2l2x 1
65 1 . . 1 1 4 4 DHA HB2 H . . . 1 1 5 5 ALA H H . . . . . 1.88 1.53 2.23 . . . . . A . 3 DHA HB2 . . A . 4 ALA H . . . 3 . HB2 . . . . . 4 . H . . rr_2l2x 1
66 1 . . 1 1 4 4 DHA HB2 H . . . 1 1 5 5 ALA HA H . . . . . 5.62 0.09 6.50 . . . . . A . 3 DHA HB2 . . A . 4 ALA HA . . . 3 . HB2 . . . . . 4 . HA . . rr_2l2x 1
67 1 . . 1 1 4 4 DHA HB2 H . . . 1 1 5 5 ALA MB H . . . . . 4.52 1.45 6.50 . . . . . A . 3 DHA HB2 . . A . 4 ALA MB . . . 3 . HB2 . . . . . 4 . HB# . . rr_2l2x 1
68 1 . . 1 1 5 5 ALA H H . . . 1 1 6 6 SER H H . . . . . 3.67 1.98 5.36 . . . . . A . 4 ALA H . . A . 5 SER H . . . 4 . H . . . . . 5 . H . . rr_2l2x 1
69 1 . . 1 1 5 5 ALA HA H . . . 1 1 6 6 SER H H . . . . . 2.08 1.65 2.51 . . . . . A . 4 ALA HA . . A . 5 SER H . . . 4 . HA . . . . . 5 . H . . rr_2l2x 1
70 1 . . 1 1 5 5 ALA MB H . . . 1 1 6 6 SER H H . . . . . 3.26 2.20 4.32 . . . . . A . 4 ALA MB . . A . 5 SER H . . . 4 . HB# . . . . . 5 . H . . rr_2l2x 1
71 1 . . 1 1 6 6 SER HB2 H . . . 1 1 7 7 Bb9 HB H . . . . . 3.60 1.65 5.55 . . . . . A . 5 SER HB2 . . A . 6 BB9 HB . . . 5 . HB2 . . . . . 6 . HB . . rr_2l2x 1
72 1 . . 1 1 8 8 THR H H . . . 1 1 7 7 Bb9 HB H . . . . . 4.08 1.59 6.50 . . . . . A . 7 THR H . . A . 6 BB9 HB . . . 7 . H . . . . . 6 . HB . . rr_2l2x 1
73 1 . . 1 1 8 8 THR HA H . . . 1 1 7 7 Bb9 HB H . . . . . 4.49 1.46 6.50 . . . . . A . 7 THR HA . . A . 6 BB9 HB . . . 7 . HA . . . . . 6 . HB . . rr_2l2x 1
74 1 . . 1 1 8 8 THR H H . . . 1 1 9 9 DBU HG* H . . . . . 3.09 1.42 4.76 . . . . . A . 7 THR H . . A . 8 DBU HG* . . . 7 . H . . . . . 8 . HG# . . rr_2l2x 1
75 1 . . 1 1 8 8 THR HA H . . . 1 1 9 9 DBU HG* H . . . . . 3.50 1.97 5.03 . . . . . A . 7 THR HA . . A . 8 DBU HG* . . . 7 . HA . . . . . 8 . HG# . . rr_2l2x 1
76 1 . . 1 1 13 13 THR MG H . . . 1 1 12 12 Bb9 HB H . . . . . 3.51 1.66 5.36 . . . . . A . 12 THR MG . . A . 11 BB9 HB . . . 12 . HG2# . . . . . 11 . HB . . rr_2l2x 1
77 1 . . 1 1 13 13 THR HA H . . . 1 1 14 14 Bb9 HB H . . . . . 4.76 1.37 6.50 . . . . . A . 12 THR HA . . A . 13 BB9 HB . . . 12 . HA . . . . . 13 . HB . . rr_2l2x 1
78 1 . . 1 1 17 17 DHA H H . . . 1 1 16 16 Bb9 HB H . . . . . 4.40 1.49 6.50 . . . . . A . 16 DHA H . . A . 15 BB9 HB . . . 16 . H . . . . . 15 . HB . . rr_2l2x 1
79 1 . . 1 1 17 17 DHA HB1 H . . . 1 1 16 16 Bb9 HB H . . . . . 4.48 1.47 6.50 . . . . . A . 16 DHA HB1 . . A . 15 BB9 HB . . . 16 . HB1 . . . . . 15 . HB . . rr_2l2x 1
80 1 . . 1 1 17 17 DHA HB2 H . . . 1 1 18 18 NH2 HN1 H . . . . . 3.56 2.29 4.83 . . . . . A . 16 DHA HB2 . . A . 17 NH2 HN1 . . . 16 . HB2 . . . . . 17 . HN1 . . rr_2l2x 1
81 1 . . 1 1 17 17 DHA HB2 H . . . 1 1 18 18 NH2 HN2 H . . . . . 2.66 1.95 3.37 . . . . . A . 16 DHA HB2 . . A . 17 NH2 HN2 . . . 16 . HB2 . . . . . 17 . HN2 . . rr_2l2x 1
82 1 . . 1 1 1 1 QUA HC8 H . . . 1 1 13 13 THR H H . . . . . 4.40 1.49 6.50 . . . . . A . . QUA HC8 . . A . 12 THR H . . . 0 . HC8 . . . . . 12 . H . . rr_2l2x 1
83 1 . . 1 1 1 1 QUA HC8 H . . . 1 1 13 13 THR MG H . . . . . 4.11 1.57 6.50 . . . . . A . . QUA HC8 . . A . 12 THR MG . . . 0 . HC8 . . . . . 12 . HG2# . . rr_2l2x 1
84 1 . . 1 1 6 6 SER H H . . . 1 1 14 14 Bb9 HB H . . . . . 4.46 1.47 6.50 . . . . . A . 5 SER H . . A . 13 BB9 HB . . . 5 . H . . . . . 13 . HB . . rr_2l2x 1
85 1 . . 1 1 6 6 SER HB3 H . . . 1 1 14 14 Bb9 HB H . . . . . 4.99 1.25 6.50 . . . . . A . 5 SER HB3 . . A . 13 BB9 HB . . . 5 . HB3 . . . . . 13 . HB . . rr_2l2x 1
86 1 . . 1 1 6 6 SER H H . . . 1 1 15 15 Mh6 HB2 H . . . . . 3.25 2.20 4.30 . . . . . A . 5 SER H . . A . 14 MH6 HB2 . . . 5 . H . . . . . 14 . HB2 . . rr_2l2x 1
87 1 . . 1 1 6 6 SER H H . . . 1 1 15 15 Mh6 HB3 H . . . . . 5.27 0.41 6.50 . . . . . A . 5 SER H . . A . 14 MH6 HB3 . . . 5 . H . . . . . 14 . HB3 . . rr_2l2x 1
88 1 . . 1 1 6 6 SER HB2 H . . . 1 1 15 15 Mh6 HB2 H . . . . . 2.80 2.02 3.58 . . . . . A . 5 SER HB2 . . A . 14 MH6 HB2 . . . 5 . HB2 . . . . . 14 . HB2 . . rr_2l2x 1
89 1 . . 1 1 6 6 SER HB2 H . . . 1 1 15 15 Mh6 HB3 H . . . . . 2.81 2.02 3.60 . . . . . A . 5 SER HB2 . . A . 14 MH6 HB3 . . . 5 . HB2 . . . . . 14 . HB3 . . rr_2l2x 1
90 1 . . 1 1 6 6 SER HB3 H . . . 1 1 15 15 Mh6 HB2 H . . . . . 3.30 1.94 4.66 . . . . . A . 5 SER HB3 . . A . 14 MH6 HB2 . . . 5 . HB3 . . . . . 14 . HB2 . . rr_2l2x 1
91 1 . . 1 1 6 6 SER HB3 H . . . 1 1 15 15 Mh6 HB3 H . . . . . 2.44 1.84 3.04 . . . . . A . 5 SER HB3 . . A . 14 MH6 HB3 . . . 5 . HB3 . . . . . 14 . HB3 . . rr_2l2x 1
92 1 . . 1 1 4 4 DHA HB1 H . . . 1 1 1 1 QUA HC3 H . . . . . 3.55 2.29 4.81 . . . . . A . 3 DHA HB1 . . A . . QUA HC3 . . . 3 . HB1 . . . . . 0 . HC3 . . rr_2l2x 1
93 1 . . 1 1 6 6 SER H H . . . 1 1 1 1 QUA HC3 H . . . . . 4.53 1.46 6.50 . . . . . A . 5 SER H . . A . . QUA HC3 . . . 5 . H . . . . . 0 . HC3 . . rr_2l2x 1
94 1 . . 1 1 7 7 Bb9 HB H . . . 1 1 1 1 QUA HC3 H . . . . . 3.50 2.28 4.72 . . . . . A . 6 BB9 HB . . A . . QUA HC3 . . . 6 . HB . . . . . 0 . HC3 . . rr_2l2x 1
95 1 . . 1 1 8 8 THR HA H . . . 1 1 1 1 QUA HC3 H . . . . . 5.07 0.56 6.50 . . . . . A . 7 THR HA . . A . . QUA HC3 . . . 7 . HA . . . . . 0 . HC3 . . rr_2l2x 1
96 1 . . 1 1 8 8 THR MG H . . . 1 1 1 1 QUA HC3 H . . . . . 3.92 1.62 6.22 . . . . . A . 7 THR MG . . A . . QUA HC3 . . . 7 . HG2# . . . . . 0 . HC3 . . rr_2l2x 1
97 1 . . 1 1 1 1 QUA HC6 H . . . 1 1 3 3 ALA H H . . . . . 5.29 1.09 6.50 . . . . . A . . QUA HC6 . . A . 2 ALA H . . . 0 . HC6 . . . . . 2 . H . . rr_2l2x 1
98 1 . . 1 1 1 1 QUA HC71 H . . . 1 1 3 3 ALA H H . . . . . 5.17 0.50 6.50 . . . . . A . . QUA HC71 . . A . 2 ALA H . . . 0 . HC71 . . . . . 2 . H . . rr_2l2x 1
99 1 . . 1 1 1 1 QUA HC8 H . . . 1 1 3 3 ALA H H . . . . . 3.59 2.30 4.88 . . . . . A . . QUA HC8 . . A . 2 ALA H . . . 0 . HC8 . . . . . 2 . H . . rr_2l2x 1
100 1 . . 1 1 1 1 QUA HC8 H . . . 1 1 3 3 ALA HA H . . . . . 3.63 1.98 5.28 . . . . . A . . QUA HC8 . . A . 2 ALA HA . . . 0 . HC8 . . . . . 2 . HA . . rr_2l2x 1
101 1 . . 1 1 1 1 QUA HC8 H . . . 1 1 8 8 THR MG H . . . . . 3.39 2.24 4.54 . . . . . A . . QUA HC8 . . A . 7 THR MG . . . 0 . HC8 . . . . . 7 . HG2# . . rr_2l2x 1
102 1 . . 1 1 1 1 QUA HC8 H . . . 1 1 11 11 Ts9 HG1 H . . . . . 5.35 0.34 6.50 . . . . . A . . QUA HC8 . . A . 10 TS9 HG1 . . . 0 . HC8 . . . . . 10 . HG1 . . rr_2l2x 1
103 1 . . 1 1 1 1 QUA H13 H . . . 1 1 7 7 Bb9 HB H . . . . . 3.72 2.33 5.11 . . . . . A . . QUA H13 . . A . 6 BB9 HB . . . 0 . H13 . . . . . 6 . HB . . rr_2l2x 1
104 1 . . 1 1 1 1 QUA M14 H . . . 1 1 4 4 DHA HB1 H . . . . . 2.71 1.97 3.45 . . . . . A . . QUA M14 . . A . 3 DHA HB1 . . . 0 . H14# . . . . . 3 . HB1 . . rr_2l2x 1
105 1 . . 1 1 1 1 QUA M14 H . . . 1 1 5 5 ALA H H . . . . . 4.50 1.47 6.50 . . . . . A . . QUA M14 . . A . 4 ALA H . . . 0 . H14# . . . . . 4 . H . . rr_2l2x 1
106 1 . . 1 1 3 3 ALA HA H . . . 1 1 13 13 THR HB H . . . . . 5.10 1.19 6.50 . . . . . A . 2 ALA HA . . A . 12 THR HB . . . 2 . HA . . . . . 12 . HB . . rr_2l2x 1
107 1 . . 1 1 3 3 ALA HA H . . . 1 1 13 13 THR MG H . . . . . 2.90 2.06 3.74 . . . . . A . 2 ALA HA . . A . 12 THR MG . . . 2 . HA . . . . . 12 . HG2# . . rr_2l2x 1
108 1 . . 1 1 4 4 DHA H H . . . 1 1 6 6 SER H H . . . . . 4.72 1.37 6.50 . . . . . A . 3 DHA H . . A . 5 SER H . . . 3 . H . . . . . 5 . H . . rr_2l2x 1
109 1 . . 1 1 4 4 DHA H H . . . 1 1 13 13 THR HB H . . . . . 3.26 2.19 4.33 . . . . . A . 3 DHA H . . A . 12 THR HB . . . 3 . H . . . . . 12 . HB . . rr_2l2x 1
110 1 . . 1 1 4 4 DHA H H . . . 1 1 13 13 THR MG H . . . . . 2.56 1.91 3.21 . . . . . A . 3 DHA H . . A . 12 THR MG . . . 3 . H . . . . . 12 . HG2# . . rr_2l2x 1
111 1 . . 1 1 5 5 ALA HA H . . . 1 1 13 13 THR HA H . . . . . 5.12 1.19 6.50 . . . . . A . 4 ALA HA . . A . 12 THR HA . . . 4 . HA . . . . . 12 . HA . . rr_2l2x 1
112 1 . . 1 1 5 5 ALA HA H . . . 1 1 13 13 THR HB H . . . . . 2.45 1.85 3.05 . . . . . A . 4 ALA HA . . A . 12 THR HB . . . 4 . HA . . . . . 12 . HB . . rr_2l2x 1
113 1 . . 1 1 5 5 ALA HA H . . . 1 1 13 13 THR MG H . . . . . 3.55 1.98 5.12 . . . . . A . 4 ALA HA . . A . 12 THR MG . . . 4 . HA . . . . . 12 . HG2# . . rr_2l2x 1
114 1 . . 1 1 5 5 ALA HA H . . . 1 1 15 15 Mh6 HB2 H . . . . . 4.91 0.68 6.50 . . . . . A . 4 ALA HA . . A . 14 MH6 HB2 . . . 4 . HA . . . . . 14 . HB2 . . rr_2l2x 1
115 1 . . 1 1 5 5 ALA MB H . . . 1 1 13 13 THR HB H . . . . . 4.64 1.42 6.50 . . . . . A . 4 ALA MB . . A . 12 THR HB . . . 4 . HB# . . . . . 12 . HB . . rr_2l2x 1
116 1 . . 1 1 5 5 ALA MB H . . . 1 1 15 15 Mh6 HB2 H . . . . . 3.80 1.63 5.97 . . . . . A . 4 ALA MB . . A . 14 MH6 HB2 . . . 4 . HB# . . . . . 14 . HB2 . . rr_2l2x 1
117 1 . . 1 1 6 6 SER H H . . . 1 1 8 8 THR H H . . . . . 4.28 1.07 6.50 . . . . . A . 5 SER H . . A . 7 THR H . . . 5 . H . . . . . 7 . H . . rr_2l2x 1
118 1 . . 1 1 6 6 SER H H . . . 1 1 13 13 THR HA H . . . . . 3.46 2.27 4.65 . . . . . A . 5 SER H . . A . 12 THR HA . . . 5 . H . . . . . 12 . HA . . rr_2l2x 1
119 1 . . 1 1 6 6 SER H H . . . 1 1 13 13 THR HB H . . . . . 2.49 1.87 3.11 . . . . . A . 5 SER H . . A . 12 THR HB . . . 5 . H . . . . . 12 . HB . . rr_2l2x 1
120 1 . . 1 1 6 6 SER H H . . . 1 1 13 13 THR MG H . . . . . 3.18 1.91 4.45 . . . . . A . 5 SER H . . A . 12 THR MG . . . 5 . H . . . . . 12 . HG2# . . rr_2l2x 1
121 1 . . 1 1 8 8 THR H H . . . 1 1 14 14 Bb9 HB H . . . . . 2.57 1.91 3.23 . . . . . A . 7 THR H . . A . 13 BB9 HB . . . 7 . H . . . . . 13 . HB . . rr_2l2x 1
122 1 . . 1 1 8 8 THR MG H . . . 1 1 11 11 Ts9 H H . . . . . 2.58 1.92 3.24 . . . . . A . 7 THR MG . . A . 10 TS9 H . . . 7 . HG2# . . . . . 10 . H . . rr_2l2x 1
123 1 . . 1 1 8 8 THR MG H . . . 1 1 11 11 Ts9 HG1 H . . . . . 3.99 2.00 5.98 . . . . . A . 7 THR MG . . A . 10 TS9 HG1 . . . 7 . HG2# . . . . . 10 . HG1 . . rr_2l2x 1
124 1 . . 1 1 8 8 THR MG H . . . 1 1 13 13 THR H H . . . . . 2.86 2.04 3.68 . . . . . A . 7 THR MG . . A . 12 THR H . . . 7 . HG2# . . . . . 12 . H . . rr_2l2x 1
125 1 . . 1 1 8 8 THR MG H . . . 1 1 13 13 THR HB H . . . . . 4.25 1.10 6.50 . . . . . A . 7 THR MG . . A . 12 THR HB . . . 7 . HG2# . . . . . 12 . HB . . rr_2l2x 1
126 1 . . 1 1 8 8 THR MG H . . . 1 1 14 14 Bb9 HB H . . . . . 3.37 2.24 4.50 . . . . . A . 7 THR MG . . A . 13 BB9 HB . . . 7 . HG2# . . . . . 13 . HB . . rr_2l2x 1
127 1 . . 1 1 9 9 DBU HG* H . . . 1 1 14 14 Bb9 HB H . . . . . 3.24 1.40 5.08 . . . . . A . 8 DBU HG* . . A . 13 BB9 HB . . . 8 . HG# . . . . . 13 . HB . . rr_2l2x 1
128 1 . . 1 1 11 11 Ts9 H H . . . 1 1 13 13 THR H H . . . . . 3.98 1.60 6.36 . . . . . A . 10 TS9 H . . A . 12 THR H . . . 10 . H . . . . . 12 . H . . rr_2l2x 1
129 1 . . 1 1 15 15 Mh6 HB2 H . . . 1 1 17 17 DHA H H . . . . . 4.63 1.42 6.50 . . . . . A . 14 MH6 HB2 . . A . 16 DHA H . . . 14 . HB2 . . . . . 16 . H . . rr_2l2x 1
130 1 . . 1 1 15 15 Mh6 HB3 H . . . 1 1 17 17 DHA H H . . . . . 3.70 1.99 5.41 . . . . . A . 14 MH6 HB3 . . A . 16 DHA H . . . 14 . HB3 . . . . . 16 . H . . rr_2l2x 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_2l2x 1
2 "# Sequential NOEs" 56 1 56 17 rr_2l2x 1
3 "# Medium and long range NOEs" 121 1 121 28 rr_2l2x 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 28 1 "Not handling restraint 28, item 1, resonance(s) ' .8.H1' (nmrStar names) not linked" rr_2l2x 1
2 2 29 1 "Not handling restraint 29, item 1, resonance(s) ' .8.H1' (nmrStar names),' .8.HB1' (nmrStar names) not linked" rr_2l2x 1
3 2 30 1 "Not handling restraint 30, item 1, resonance(s) ' .8.HB1' (nmrStar names) not linked" rr_2l2x 1
4 2 33 1 "Not handling restraint 33, item 1, resonance(s) ' .10.HG2#' (nmrStar names) not linked" rr_2l2x 1
5 2 34 1 "Not handling restraint 34, item 1, resonance(s) ' .10.HD1#' (nmrStar names) not linked" rr_2l2x 1
6 2 36 1 "Not handling restraint 36, item 1, resonance(s) ' .10.HG2#' (nmrStar names) not linked" rr_2l2x 1
7 2 37 1 "Not handling restraint 37, item 1, resonance(s) ' .10.HD1#' (nmrStar names) not linked" rr_2l2x 1
8 2 38 1 "Not handling restraint 38, item 1, resonance(s) ' .10.HG2#' (nmrStar names) not linked" rr_2l2x 1
9 2 39 1 "Not handling restraint 39, item 1, resonance(s) ' .10.HD1#' (nmrStar names) not linked" rr_2l2x 1
10 2 46 1 "Not handling restraint 46, item 1, resonance(s) ' .13.HC' (nmrStar names) not linked" rr_2l2x 1
11 2 84 1 "Not handling restraint 84, item 1, resonance(s) ' .8.H1' (nmrStar names) not linked" rr_2l2x 1
12 2 86 1 "Not handling restraint 86, item 1, resonance(s) ' .8.H1' (nmrStar names) not linked" rr_2l2x 1
13 2 88 1 "Not handling restraint 88, item 1, resonance(s) ' .8.H1' (nmrStar names) not linked" rr_2l2x 1
14 2 89 1 "Not handling restraint 89, item 1, resonance(s) ' .8.H1' (nmrStar names) not linked" rr_2l2x 1
15 2 90 1 "Not handling restraint 90, item 1, resonance(s) ' .8.HB1' (nmrStar names) not linked" rr_2l2x 1
16 2 91 1 "Not handling restraint 91, item 1, resonance(s) ' .10.HG2#' (nmrStar names) not linked" rr_2l2x 1
17 2 94 1 "Not handling restraint 94, item 1, resonance(s) ' .13.HC' (nmrStar names) not linked" rr_2l2x 1
18 2 95 1 "Not handling restraint 95, item 1, resonance(s) ' .13.HC' (nmrStar names) not linked" rr_2l2x 1
19 2 103 1 "Not handling restraint 103, item 1, resonance(s) ' .13.HC' (nmrStar names) not linked" rr_2l2x 1
20 2 104 1 "Not handling restraint 104, item 1, resonance(s) ' .13.HC' (nmrStar names) not linked" rr_2l2x 1
21 2 106 1 "Not handling restraint 106, item 1, resonance(s) ' .13.HC' (nmrStar names) not linked" rr_2l2x 1
22 2 120 1 "Not handling restraint 120, item 1, resonance(s) ' .10.HD1#' (nmrStar names) not linked" rr_2l2x 1
23 2 124 1 "Not handling restraint 124, item 1, resonance(s) ' .10.HD1#' (nmrStar names) not linked" rr_2l2x 1
24 2 126 1 "Not handling restraint 126, item 1, resonance(s) ' .10.HG2#' (nmrStar names) not linked" rr_2l2x 1
25 2 130 1 "Not handling restraint 130, item 1, resonance(s) ' .10.HD1#' (nmrStar names) not linked" rr_2l2x 1
26 2 131 1 "Not handling restraint 131, item 1, resonance(s) ' .10.HG2#' (nmrStar names) not linked" rr_2l2x 1
27 2 148 1 "Not handling restraint 148, item 1, resonance(s) ' .13.HC' (nmrStar names) not linked" rr_2l2x 1
28 2 154 1 "Not handling restraint 154, item 1, resonance(s) ' .8.H1' (nmrStar names) not linked" rr_2l2x 1
29 2 157 1 "Not handling restraint 157, item 1, resonance(s) ' .10.HG2#' (nmrStar names) not linked" rr_2l2x 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_2l2x
_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_2l2x 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 4 4 DHA HB2 H . . . 1 1 1 1 QUA HC3 H . . . . . 2.97 2.09 3.85 . . . . . A . 3 DHA HB2 . . A . . QUA HC3 . . . 3 . HB2 . . . . . 0 . HC3 . . rr_2l2x 2
1 2 OR . 1 1 1 1 QUA H13 H . . . 1 1 1 1 QUA HC3 H . . . . . 2.97 2.09 3.85 . . . . . A . . QUA H13 . . A . . QUA HC3 . . . 0 . H13 . . . . . 0 . HC3 . . rr_2l2x 2
2 1 OR . 1 1 8 8 THR HB H . . . 1 1 1 1 QUA HC3 H . . . . . 2.88 2.05 3.71 . . . . . A . 7 THR HB . . A . . QUA HC3 . . . 7 . HB . . . . . 0 . HC3 . . rr_2l2x 2
2 2 OR . 1 1 1 1 QUA M14 H . . . 1 1 1 1 QUA HC3 H . . . . . 2.88 2.05 3.71 . . . . . A . . QUA M14 . . A . . QUA HC3 . . . 0 . H14# . . . . . 0 . HC3 . . rr_2l2x 2
3 1 OR . 1 1 1 1 QUA HC5 H . . . 1 1 8 8 THR HB H . . . . . 2.85 2.04 3.66 . . . . . A . . QUA HC5 . . A . 7 THR HB . . . 0 . HC5 . . . . . 7 . HB . . rr_2l2x 2
3 2 OR . 1 1 1 1 QUA HC5 H . . . 1 1 1 1 QUA M14 H . . . . . 2.85 2.04 3.66 . . . . . A . . QUA HC5 . . A . . QUA M14 . . . 0 . HC5 . . . . . 0 . H14# . . rr_2l2x 2
4 1 OR . 1 1 1 1 QUA HC6 H . . . 1 1 8 8 THR HB H . . . . . 4.07 2.00 6.14 . . . . . A . . QUA HC6 . . A . 7 THR HB . . . 0 . HC6 . . . . . 7 . HB . . rr_2l2x 2
4 2 OR . 1 1 1 1 QUA HC6 H . . . 1 1 1 1 QUA M14 H . . . . . 4.07 2.00 6.14 . . . . . A . . QUA HC6 . . A . . QUA M14 . . . 0 . HC6 . . . . . 0 . H14# . . rr_2l2x 2
5 1 OR . 1 1 3 3 ALA H H . . . 1 1 8 8 THR HB H . . . . . 3.38 1.38 5.38 . . . . . A . 2 ALA H . . A . 7 THR HB . . . 2 . H . . . . . 7 . HB . . rr_2l2x 2
5 2 OR . 1 1 1 1 QUA M14 H . . . 1 1 3 3 ALA H H . . . . . 3.38 1.38 5.38 . . . . . A . . QUA M14 . . A . 2 ALA H . . . 0 . H14# . . . . . 2 . H . . rr_2l2x 2
6 1 OR . 1 1 8 8 THR HB H . . . 1 1 7 7 Bb9 HB H . . . . . 4.53 1.45 6.50 . . . . . A . 7 THR HB . . A . 6 BB9 HB . . . 7 . HB . . . . . 6 . HB . . rr_2l2x 2
6 2 OR . 1 1 1 1 QUA M14 H . . . 1 1 7 7 Bb9 HB H . . . . . 4.53 1.45 6.50 . . . . . A . . QUA M14 . . A . 6 BB9 HB . . . 0 . H14# . . . . . 6 . HB . . rr_2l2x 2
7 1 OR . 1 1 8 8 THR MG H . . . 1 1 11 11 Ts9 HA H . . . . . 4.17 1.56 6.50 . . . . . A . 7 THR MG . . A . 10 TS9 HA . . . 7 . HG2# . . . . . 10 . HA . . rr_2l2x 2
7 2 OR . 1 1 8 8 THR MG H . . . 1 1 13 13 THR HA H . . . . . 4.17 1.56 6.50 . . . . . A . 7 THR MG . . A . 12 THR HA . . . 7 . HG2# . . . . . 12 . HA . . rr_2l2x 2
8 1 OR . 1 1 11 11 Ts9 HA H . . . 1 1 12 12 Bb9 HB H . . . . . 4.40 1.50 6.50 . . . . . A . 10 TS9 HA . . A . 11 BB9 HB . . . 10 . HA . . . . . 11 . HB . . rr_2l2x 2
8 2 OR . 1 1 13 13 THR HA H . . . 1 1 12 12 Bb9 HB H . . . . . 4.40 1.50 6.50 . . . . . A . 12 THR HA . . A . 11 BB9 HB . . . 12 . HA . . . . . 11 . HB . . rr_2l2x 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_2l2x 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_2l2x
_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_2l2x 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_2l2x 1
2 1 . . . rr_2l2x 1
3 1 . . . rr_2l2x 1
4 1 . . . rr_2l2x 1
5 1 . . . rr_2l2x 1
6 1 . . . rr_2l2x 1
7 1 . . . rr_2l2x 1
8 1 . . . rr_2l2x 1
9 1 . . . rr_2l2x 1
10 1 . . . rr_2l2x 1
11 1 . . . rr_2l2x 1
12 1 . . . rr_2l2x 1
13 1 . . . rr_2l2x 1
14 1 . . . rr_2l2x 1
15 1 . . . rr_2l2x 1
16 1 . . . rr_2l2x 1
17 1 . . . rr_2l2x 1
18 1 . . . rr_2l2x 1
19 1 . . . rr_2l2x 1
20 1 . . . rr_2l2x 1
21 1 . . . rr_2l2x 1
22 1 . . . rr_2l2x 1
23 1 . . . rr_2l2x 1
24 1 . . . rr_2l2x 1
25 1 . . . rr_2l2x 1
26 1 . . . rr_2l2x 1
27 1 . . . rr_2l2x 1
28 1 . . . rr_2l2x 1
29 1 . . . rr_2l2x 1
30 1 . . . rr_2l2x 1
31 1 . . . rr_2l2x 1
32 1 . . . rr_2l2x 1
33 1 . . . rr_2l2x 1
34 1 . . . rr_2l2x 1
35 1 . . . rr_2l2x 1
36 1 . . . rr_2l2x 1
37 1 . . . rr_2l2x 1
38 1 . . . rr_2l2x 1
39 1 . . . rr_2l2x 1
40 1 . . . rr_2l2x 1
41 1 . . . rr_2l2x 1
42 1 . . . rr_2l2x 1
43 1 . . . rr_2l2x 1
44 1 . . . rr_2l2x 1
45 1 . . . rr_2l2x 1
46 1 . . . rr_2l2x 1
47 1 . . . rr_2l2x 1
48 1 . . . rr_2l2x 1
49 1 . . . rr_2l2x 1
50 1 . . . rr_2l2x 1
51 1 . . . rr_2l2x 1
52 1 . . . rr_2l2x 1
53 1 . . . rr_2l2x 1
54 1 . . . rr_2l2x 1
55 1 . . . rr_2l2x 1
56 1 . . . rr_2l2x 1
57 1 . . . rr_2l2x 1
58 1 . . . rr_2l2x 1
59 1 . . . rr_2l2x 1
60 1 . . . rr_2l2x 1
61 1 . . . rr_2l2x 1
62 1 . . . rr_2l2x 1
63 1 . . . rr_2l2x 1
64 1 . . . rr_2l2x 1
65 1 . . . rr_2l2x 1
66 1 . . . rr_2l2x 1
67 1 . . . rr_2l2x 1
68 1 . . . rr_2l2x 1
69 1 . . . rr_2l2x 1
70 1 . . . rr_2l2x 1
71 1 . . . rr_2l2x 1
72 1 . . . rr_2l2x 1
73 1 . . . rr_2l2x 1
74 1 . . . rr_2l2x 1
75 1 . . . rr_2l2x 1
76 1 . . . rr_2l2x 1
77 1 . . . rr_2l2x 1
78 1 . . . rr_2l2x 1
79 1 . . . rr_2l2x 1
80 1 . . . rr_2l2x 1
81 1 . . . rr_2l2x 1
82 1 . . . rr_2l2x 1
83 1 . . . rr_2l2x 1
84 1 . . . rr_2l2x 1
85 1 . . . rr_2l2x 1
86 1 . . . rr_2l2x 1
87 1 . . . rr_2l2x 1
88 1 . . . rr_2l2x 1
89 1 . . . rr_2l2x 1
90 1 . . . rr_2l2x 1
91 1 . . . rr_2l2x 1
92 1 . . . rr_2l2x 1
93 1 . . . rr_2l2x 1
94 1 . . . rr_2l2x 1
95 1 . . . rr_2l2x 1
96 1 . . . rr_2l2x 1
97 1 . . . rr_2l2x 1
98 1 . . . rr_2l2x 1
99 1 . . . rr_2l2x 1
100 1 . . . rr_2l2x 1
101 1 . . . rr_2l2x 1
102 1 . . . rr_2l2x 1
103 1 . . . rr_2l2x 1
104 1 . . . rr_2l2x 1
105 1 . . . rr_2l2x 1
106 1 . . . rr_2l2x 1
107 1 . . . rr_2l2x 1
108 1 . . . rr_2l2x 1
109 1 . . . rr_2l2x 1
110 1 . . . rr_2l2x 1
111 1 . . . rr_2l2x 1
112 1 . . . rr_2l2x 1
113 1 . . . rr_2l2x 1
114 1 . . . rr_2l2x 1
115 1 . . . rr_2l2x 1
116 1 . . . rr_2l2x 1
117 1 . . . rr_2l2x 1
118 1 . . . rr_2l2x 1
119 1 . . . rr_2l2x 1
120 1 . . . rr_2l2x 1
121 1 . . . rr_2l2x 1
122 1 . . . rr_2l2x 1
123 1 . . . rr_2l2x 1
124 1 . . . rr_2l2x 1
125 1 . . . rr_2l2x 1
126 1 . . . rr_2l2x 1
127 1 . . . rr_2l2x 1
128 1 . . . rr_2l2x 1
129 1 . . . rr_2l2x 1
130 1 . . . rr_2l2x 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 HC5 H . . . . 0 . HC5 rr_2l2x 1
1 1 . 2 . 1 1 1 1 QUA HC6 H . . . . 0 . HC6 rr_2l2x 1
2 1 . 1 . 1 1 1 1 QUA HC5 H . . . . 0 . HC5 rr_2l2x 1
2 1 . 2 . 1 1 1 1 QUA HC71 H . . . . 0 . HC71 rr_2l2x 1
3 1 . 1 . 1 1 1 1 QUA HC5 H . . . . 0 . HC5 rr_2l2x 1
3 1 . 2 . 1 1 1 1 QUA H13 H . . . . 0 . H13 rr_2l2x 1
4 1 . 1 . 1 1 1 1 QUA HC6 H . . . . 0 . HC6 rr_2l2x 1
4 1 . 2 . 1 1 1 1 QUA HC71 H . . . . 0 . HC71 rr_2l2x 1
5 1 . 1 . 1 1 1 1 QUA HC6 H . . . . 0 . HC6 rr_2l2x 1
5 1 . 2 . 1 1 1 1 QUA HC8 H . . . . 0 . HC8 rr_2l2x 1
6 1 . 1 . 1 1 1 1 QUA HC6 H . . . . 0 . HC6 rr_2l2x 1
6 1 . 2 . 1 1 1 1 QUA H13 H . . . . 0 . H13 rr_2l2x 1
7 1 . 1 . 1 1 1 1 QUA HC71 H . . . . 0 . HC71 rr_2l2x 1
7 1 . 2 . 1 1 1 1 QUA HC8 H . . . . 0 . HC8 rr_2l2x 1
8 1 . 1 . 1 1 1 1 QUA H13 H . . . . 0 . H13 rr_2l2x 1
8 1 . 2 . 1 1 1 1 QUA M14 H . . . . 0 . H14# rr_2l2x 1
9 1 . 1 . 1 1 2 2 ILE HA H . . . . 1 . HA rr_2l2x 1
9 1 . 2 . 1 1 2 2 ILE HB H . . . . 1 . HB rr_2l2x 1
10 1 . 1 . 1 1 2 2 ILE HA H . . . . 1 . HA rr_2l2x 1
10 1 . 2 . 1 1 2 2 ILE MG H . . . . 1 . HG2# rr_2l2x 1
11 1 . 1 . 1 1 3 3 ALA H H . . . . 2 . H rr_2l2x 1
11 1 . 2 . 1 1 3 3 ALA HA H . . . . 2 . HA rr_2l2x 1
12 1 . 1 . 1 1 3 3 ALA H H . . . . 2 . H rr_2l2x 1
12 1 . 2 . 1 1 3 3 ALA MB H . . . . 2 . HB# rr_2l2x 1
13 1 . 1 . 1 1 3 3 ALA HA H . . . . 2 . HA rr_2l2x 1
13 1 . 2 . 1 1 3 3 ALA MB H . . . . 2 . HB# rr_2l2x 1
14 1 . 1 . 1 1 4 4 DHA H H . . . . 3 . H rr_2l2x 1
14 1 . 2 . 1 1 4 4 DHA HB1 H . . . . 3 . HB1 rr_2l2x 1
15 1 . 1 . 1 1 4 4 DHA H H . . . . 3 . H rr_2l2x 1
15 1 . 2 . 1 1 4 4 DHA HB2 H . . . . 3 . HB2 rr_2l2x 1
16 1 . 1 . 1 1 4 4 DHA HB1 H . . . . 3 . HB1 rr_2l2x 1
16 1 . 2 . 1 1 4 4 DHA HB2 H . . . . 3 . HB2 rr_2l2x 1
17 1 . 1 . 1 1 5 5 ALA H H . . . . 4 . H rr_2l2x 1
17 1 . 2 . 1 1 5 5 ALA HA H . . . . 4 . HA rr_2l2x 1
18 1 . 1 . 1 1 5 5 ALA H H . . . . 4 . H rr_2l2x 1
18 1 . 2 . 1 1 5 5 ALA MB H . . . . 4 . HB# rr_2l2x 1
19 1 . 1 . 1 1 5 5 ALA HA H . . . . 4 . HA rr_2l2x 1
19 1 . 2 . 1 1 5 5 ALA MB H . . . . 4 . HB# rr_2l2x 1
20 1 . 1 . 1 1 6 6 SER H H . . . . 5 . H rr_2l2x 1
20 1 . 2 . 1 1 6 6 SER HB2 H . . . . 5 . HB2 rr_2l2x 1
21 1 . 1 . 1 1 6 6 SER H H . . . . 5 . H rr_2l2x 1
21 1 . 2 . 1 1 6 6 SER HB3 H . . . . 5 . HB3 rr_2l2x 1
22 1 . 1 . 1 1 6 6 SER HB2 H . . . . 5 . HB2 rr_2l2x 1
22 1 . 2 . 1 1 6 6 SER HB3 H . . . . 5 . HB3 rr_2l2x 1
23 1 . 1 . 1 1 8 8 THR H H . . . . 7 . H rr_2l2x 1
23 1 . 2 . 1 1 8 8 THR HA H . . . . 7 . HA rr_2l2x 1
24 1 . 1 . 1 1 8 8 THR H H . . . . 7 . H rr_2l2x 1
24 1 . 2 . 1 1 8 8 THR HB H . . . . 7 . HB rr_2l2x 1
25 1 . 1 . 1 1 8 8 THR HA H . . . . 7 . HA rr_2l2x 1
25 1 . 2 . 1 1 8 8 THR HB H . . . . 7 . HB rr_2l2x 1
26 1 . 1 . 1 1 8 8 THR H H . . . . 7 . H rr_2l2x 1
26 1 . 2 . 1 1 8 8 THR MG H . . . . 7 . HG2# rr_2l2x 1
27 1 . 1 . 1 1 8 8 THR HA H . . . . 7 . HA rr_2l2x 1
27 1 . 2 . 1 1 8 8 THR MG H . . . . 7 . HG2# rr_2l2x 1
28 1 . 1 . 1 1 11 11 Ts9 H H . . . . 10 . H rr_2l2x 1
28 1 . 2 . 1 1 11 11 Ts9 HA H . . . . 10 . HA rr_2l2x 1
29 1 . 1 . 1 1 11 11 Ts9 H H . . . . 10 . H rr_2l2x 1
29 1 . 2 . 1 1 11 11 Ts9 HG1 H . . . . 10 . HG1 rr_2l2x 1
30 1 . 1 . 1 1 11 11 Ts9 HA H . . . . 10 . HA rr_2l2x 1
30 1 . 2 . 1 1 11 11 Ts9 HG1 H . . . . 10 . HG1 rr_2l2x 1
31 1 . 1 . 1 1 13 13 THR H H . . . . 12 . H rr_2l2x 1
31 1 . 2 . 1 1 13 13 THR HA H . . . . 12 . HA rr_2l2x 1
32 1 . 1 . 1 1 13 13 THR H H . . . . 12 . H rr_2l2x 1
32 1 . 2 . 1 1 13 13 THR HB H . . . . 12 . HB rr_2l2x 1
33 1 . 1 . 1 1 13 13 THR H H . . . . 12 . H rr_2l2x 1
33 1 . 2 . 1 1 13 13 THR MG H . . . . 12 . HG2# rr_2l2x 1
34 1 . 1 . 1 1 13 13 THR HA H . . . . 12 . HA rr_2l2x 1
34 1 . 2 . 1 1 13 13 THR HB H . . . . 12 . HB rr_2l2x 1
35 1 . 1 . 1 1 13 13 THR HA H . . . . 12 . HA rr_2l2x 1
35 1 . 2 . 1 1 13 13 THR MG H . . . . 12 . HG2# rr_2l2x 1
36 1 . 1 . 1 1 13 13 THR HB H . . . . 12 . HB rr_2l2x 1
36 1 . 2 . 1 1 13 13 THR MG H . . . . 12 . HG2# rr_2l2x 1
37 1 . 1 . 1 1 15 15 Mh6 HB2 H . . . . 14 . HB2 rr_2l2x 1
37 1 . 2 . 1 1 15 15 Mh6 HB3 H . . . . 14 . HB3 rr_2l2x 1
38 1 . 1 . 1 1 17 17 DHA H H . . . . 16 . H rr_2l2x 1
38 1 . 2 . 1 1 17 17 DHA HB1 H . . . . 16 . HB1 rr_2l2x 1
39 1 . 1 . 1 1 17 17 DHA H H . . . . 16 . H rr_2l2x 1
39 1 . 2 . 1 1 17 17 DHA HB2 H . . . . 16 . HB2 rr_2l2x 1
40 1 . 1 . 1 1 17 17 DHA HB1 H . . . . 16 . HB1 rr_2l2x 1
40 1 . 2 . 1 1 17 17 DHA HB2 H . . . . 16 . HB2 rr_2l2x 1
41 1 . 1 . 1 1 18 18 NH2 HN1 H . . . . 17 . HN1 rr_2l2x 1
41 1 . 2 . 1 1 18 18 NH2 HN2 H . . . . 17 . HN2 rr_2l2x 1
42 1 . 1 . 1 1 1 1 QUA HC6 H . . . . 0 . HC6 rr_2l2x 1
42 1 . 2 . 1 1 2 2 ILE HA H . . . . 1 . HA rr_2l2x 1
43 1 . 1 . 1 1 1 1 QUA HC6 H . . . . 0 . HC6 rr_2l2x 1
43 1 . 2 . 1 1 2 2 ILE MG H . . . . 1 . HG2# rr_2l2x 1
44 1 . 1 . 1 1 1 1 QUA HC71 H . . . . 0 . HC71 rr_2l2x 1
44 1 . 2 . 1 1 2 2 ILE HA H . . . . 1 . HA rr_2l2x 1
45 1 . 1 . 1 1 1 1 QUA HC71 H . . . . 0 . HC71 rr_2l2x 1
45 1 . 2 . 1 1 2 2 ILE MG H . . . . 1 . HG2# rr_2l2x 1
46 1 . 1 . 1 1 1 1 QUA HC8 H . . . . 0 . HC8 rr_2l2x 1
46 1 . 2 . 1 1 2 2 ILE HA H . . . . 1 . HA rr_2l2x 1
47 1 . 1 . 1 1 1 1 QUA HC8 H . . . . 0 . HC8 rr_2l2x 1
47 1 . 2 . 1 1 2 2 ILE HB H . . . . 1 . HB rr_2l2x 1
48 1 . 1 . 1 1 1 1 QUA HC8 H . . . . 0 . HC8 rr_2l2x 1
48 1 . 2 . 1 1 2 2 ILE MG H . . . . 1 . HG2# rr_2l2x 1
49 1 . 1 . 1 1 2 2 ILE HA H . . . . 1 . HA rr_2l2x 1
49 1 . 2 . 1 1 3 3 ALA H H . . . . 2 . H rr_2l2x 1
50 1 . 1 . 1 1 2 2 ILE HA H . . . . 1 . HA rr_2l2x 1
50 1 . 2 . 1 1 3 3 ALA HA H . . . . 2 . HA rr_2l2x 1
51 1 . 1 . 1 1 2 2 ILE HB H . . . . 1 . HB rr_2l2x 1
51 1 . 2 . 1 1 3 3 ALA H H . . . . 2 . H rr_2l2x 1
52 1 . 1 . 1 1 2 2 ILE HG12 H . . . . 1 . HG12 rr_2l2x 1
52 1 . 2 . 1 1 3 3 ALA H H . . . . 2 . H rr_2l2x 1
53 1 . 1 . 1 1 2 2 ILE HG13 H . . . . 1 . HG13 rr_2l2x 1
53 1 . 2 . 1 1 3 3 ALA H H . . . . 2 . H rr_2l2x 1
54 1 . 1 . 1 1 2 2 ILE MG H . . . . 1 . HG2# rr_2l2x 1
54 1 . 2 . 1 1 3 3 ALA H H . . . . 2 . H rr_2l2x 1
55 1 . 1 . 1 1 2 2 ILE MG H . . . . 1 . HG2# rr_2l2x 1
55 1 . 2 . 1 1 3 3 ALA HA H . . . . 2 . HA rr_2l2x 1
56 1 . 1 . 1 1 3 3 ALA H H . . . . 2 . H rr_2l2x 1
56 1 . 2 . 1 1 4 4 DHA HB1 H . . . . 3 . HB1 rr_2l2x 1
57 1 . 1 . 1 1 3 3 ALA HA H . . . . 2 . HA rr_2l2x 1
57 1 . 2 . 1 1 4 4 DHA H H . . . . 3 . H rr_2l2x 1
58 1 . 1 . 1 1 3 3 ALA MB H . . . . 2 . HB# rr_2l2x 1
58 1 . 2 . 1 1 4 4 DHA H H . . . . 3 . H rr_2l2x 1
59 1 . 1 . 1 1 3 3 ALA MB H . . . . 2 . HB# rr_2l2x 1
59 1 . 2 . 1 1 4 4 DHA HB1 H . . . . 3 . HB1 rr_2l2x 1
60 1 . 1 . 1 1 4 4 DHA H H . . . . 3 . H rr_2l2x 1
60 1 . 2 . 1 1 5 5 ALA H H . . . . 4 . H rr_2l2x 1
61 1 . 1 . 1 1 4 4 DHA H H . . . . 3 . H rr_2l2x 1
61 1 . 2 . 1 1 5 5 ALA HA H . . . . 4 . HA rr_2l2x 1
62 1 . 1 . 1 1 4 4 DHA H H . . . . 3 . H rr_2l2x 1
62 1 . 2 . 1 1 5 5 ALA MB H . . . . 4 . HB# rr_2l2x 1
63 1 . 1 . 1 1 4 4 DHA HB1 H . . . . 3 . HB1 rr_2l2x 1
63 1 . 2 . 1 1 5 5 ALA H H . . . . 4 . H rr_2l2x 1
64 1 . 1 . 1 1 4 4 DHA HB1 H . . . . 3 . HB1 rr_2l2x 1
64 1 . 2 . 1 1 5 5 ALA MB H . . . . 4 . HB# rr_2l2x 1
65 1 . 1 . 1 1 4 4 DHA HB2 H . . . . 3 . HB2 rr_2l2x 1
65 1 . 2 . 1 1 5 5 ALA H H . . . . 4 . H rr_2l2x 1
66 1 . 1 . 1 1 4 4 DHA HB2 H . . . . 3 . HB2 rr_2l2x 1
66 1 . 2 . 1 1 5 5 ALA HA H . . . . 4 . HA rr_2l2x 1
67 1 . 1 . 1 1 4 4 DHA HB2 H . . . . 3 . HB2 rr_2l2x 1
67 1 . 2 . 1 1 5 5 ALA MB H . . . . 4 . HB# rr_2l2x 1
68 1 . 1 . 1 1 5 5 ALA H H . . . . 4 . H rr_2l2x 1
68 1 . 2 . 1 1 6 6 SER H H . . . . 5 . H rr_2l2x 1
69 1 . 1 . 1 1 5 5 ALA HA H . . . . 4 . HA rr_2l2x 1
69 1 . 2 . 1 1 6 6 SER H H . . . . 5 . H rr_2l2x 1
70 1 . 1 . 1 1 5 5 ALA MB H . . . . 4 . HB# rr_2l2x 1
70 1 . 2 . 1 1 6 6 SER H H . . . . 5 . H rr_2l2x 1
71 1 . 1 . 1 1 6 6 SER HB2 H . . . . 5 . HB2 rr_2l2x 1
71 1 . 2 . 1 1 7 7 Bb9 HB H . . . . 6 . HB rr_2l2x 1
72 1 . 1 . 1 1 7 7 Bb9 HB H . . . . 6 . HB rr_2l2x 1
72 1 . 2 . 1 1 8 8 THR H H . . . . 7 . H rr_2l2x 1
73 1 . 1 . 1 1 7 7 Bb9 HB H . . . . 6 . HB rr_2l2x 1
73 1 . 2 . 1 1 8 8 THR HA H . . . . 7 . HA rr_2l2x 1
74 1 . 1 . 1 1 8 8 THR H H . . . . 7 . H rr_2l2x 1
74 1 . 2 . 1 1 9 9 DBU HG* H . . . . 8 . HG# rr_2l2x 1
75 1 . 1 . 1 1 8 8 THR HA H . . . . 7 . HA rr_2l2x 1
75 1 . 2 . 1 1 9 9 DBU HG* H . . . . 8 . HG# rr_2l2x 1
76 1 . 1 . 1 1 12 12 Bb9 HB H . . . . 11 . HB rr_2l2x 1
76 1 . 2 . 1 1 13 13 THR MG H . . . . 12 . HG2# rr_2l2x 1
77 1 . 1 . 1 1 13 13 THR HA H . . . . 12 . HA rr_2l2x 1
77 1 . 2 . 1 1 14 14 Bb9 HB H . . . . 13 . HB rr_2l2x 1
78 1 . 1 . 1 1 16 16 Bb9 HB H . . . . 15 . HB rr_2l2x 1
78 1 . 2 . 1 1 17 17 DHA H H . . . . 16 . H rr_2l2x 1
79 1 . 1 . 1 1 16 16 Bb9 HB H . . . . 15 . HB rr_2l2x 1
79 1 . 2 . 1 1 17 17 DHA HB1 H . . . . 16 . HB1 rr_2l2x 1
80 1 . 1 . 1 1 17 17 DHA HB2 H . . . . 16 . HB2 rr_2l2x 1
80 1 . 2 . 1 1 18 18 NH2 HN1 H . . . . 17 . HN1 rr_2l2x 1
81 1 . 1 . 1 1 17 17 DHA HB2 H . . . . 16 . HB2 rr_2l2x 1
81 1 . 2 . 1 1 18 18 NH2 HN2 H . . . . 17 . HN2 rr_2l2x 1
82 1 . 1 . 1 1 1 1 QUA HC8 H . . . . 0 . HC8 rr_2l2x 1
82 1 . 2 . 1 1 13 13 THR H H . . . . 12 . H rr_2l2x 1
83 1 . 1 . 1 1 1 1 QUA HC8 H . . . . 0 . HC8 rr_2l2x 1
83 1 . 2 . 1 1 13 13 THR MG H . . . . 12 . HG2# rr_2l2x 1
84 1 . 1 . 1 1 6 6 SER H H . . . . 5 . H rr_2l2x 1
84 1 . 2 . 1 1 14 14 Bb9 HB H . . . . 13 . HB rr_2l2x 1
85 1 . 1 . 1 1 6 6 SER HB3 H . . . . 5 . HB3 rr_2l2x 1
85 1 . 2 . 1 1 14 14 Bb9 HB H . . . . 13 . HB rr_2l2x 1
86 1 . 1 . 1 1 6 6 SER H H . . . . 5 . H rr_2l2x 1
86 1 . 2 . 1 1 15 15 Mh6 HB2 H . . . . 14 . HB2 rr_2l2x 1
87 1 . 1 . 1 1 6 6 SER H H . . . . 5 . H rr_2l2x 1
87 1 . 2 . 1 1 15 15 Mh6 HB3 H . . . . 14 . HB3 rr_2l2x 1
88 1 . 1 . 1 1 6 6 SER HB2 H . . . . 5 . HB2 rr_2l2x 1
88 1 . 2 . 1 1 15 15 Mh6 HB2 H . . . . 14 . HB2 rr_2l2x 1
89 1 . 1 . 1 1 6 6 SER HB2 H . . . . 5 . HB2 rr_2l2x 1
89 1 . 2 . 1 1 15 15 Mh6 HB3 H . . . . 14 . HB3 rr_2l2x 1
90 1 . 1 . 1 1 6 6 SER HB3 H . . . . 5 . HB3 rr_2l2x 1
90 1 . 2 . 1 1 15 15 Mh6 HB2 H . . . . 14 . HB2 rr_2l2x 1
91 1 . 1 . 1 1 6 6 SER HB3 H . . . . 5 . HB3 rr_2l2x 1
91 1 . 2 . 1 1 15 15 Mh6 HB3 H . . . . 14 . HB3 rr_2l2x 1
92 1 . 1 . 1 1 1 1 QUA HC3 H . . . . 0 . HC3 rr_2l2x 1
92 1 . 2 . 1 1 4 4 DHA HB1 H . . . . 3 . HB1 rr_2l2x 1
93 1 . 1 . 1 1 1 1 QUA HC3 H . . . . 0 . HC3 rr_2l2x 1
93 1 . 2 . 1 1 6 6 SER H H . . . . 5 . H rr_2l2x 1
94 1 . 1 . 1 1 1 1 QUA HC3 H . . . . 0 . HC3 rr_2l2x 1
94 1 . 2 . 1 1 7 7 Bb9 HB H . . . . 6 . HB rr_2l2x 1
95 1 . 1 . 1 1 1 1 QUA HC3 H . . . . 0 . HC3 rr_2l2x 1
95 1 . 2 . 1 1 8 8 THR HA H . . . . 7 . HA rr_2l2x 1
96 1 . 1 . 1 1 1 1 QUA HC3 H . . . . 0 . HC3 rr_2l2x 1
96 1 . 2 . 1 1 8 8 THR MG H . . . . 7 . HG2# rr_2l2x 1
97 1 . 1 . 1 1 1 1 QUA HC6 H . . . . 0 . HC6 rr_2l2x 1
97 1 . 2 . 1 1 3 3 ALA H H . . . . 2 . H rr_2l2x 1
98 1 . 1 . 1 1 1 1 QUA HC71 H . . . . 0 . HC71 rr_2l2x 1
98 1 . 2 . 1 1 3 3 ALA H H . . . . 2 . H rr_2l2x 1
99 1 . 1 . 1 1 1 1 QUA HC8 H . . . . 0 . HC8 rr_2l2x 1
99 1 . 2 . 1 1 3 3 ALA H H . . . . 2 . H rr_2l2x 1
100 1 . 1 . 1 1 1 1 QUA HC8 H . . . . 0 . HC8 rr_2l2x 1
100 1 . 2 . 1 1 3 3 ALA HA H . . . . 2 . HA rr_2l2x 1
101 1 . 1 . 1 1 1 1 QUA HC8 H . . . . 0 . HC8 rr_2l2x 1
101 1 . 2 . 1 1 8 8 THR MG H . . . . 7 . HG2# rr_2l2x 1
102 1 . 1 . 1 1 1 1 QUA HC8 H . . . . 0 . HC8 rr_2l2x 1
102 1 . 2 . 1 1 11 11 Ts9 HG1 H . . . . 10 . HG1 rr_2l2x 1
103 1 . 1 . 1 1 1 1 QUA H13 H . . . . 0 . H13 rr_2l2x 1
103 1 . 2 . 1 1 7 7 Bb9 HB H . . . . 6 . HB rr_2l2x 1
104 1 . 1 . 1 1 1 1 QUA M14 H . . . . 0 . H14# rr_2l2x 1
104 1 . 2 . 1 1 4 4 DHA HB1 H . . . . 3 . HB1 rr_2l2x 1
105 1 . 1 . 1 1 1 1 QUA M14 H . . . . 0 . H14# rr_2l2x 1
105 1 . 2 . 1 1 5 5 ALA H H . . . . 4 . H rr_2l2x 1
106 1 . 1 . 1 1 3 3 ALA HA H . . . . 2 . HA rr_2l2x 1
106 1 . 2 . 1 1 13 13 THR HB H . . . . 12 . HB rr_2l2x 1
107 1 . 1 . 1 1 3 3 ALA HA H . . . . 2 . HA rr_2l2x 1
107 1 . 2 . 1 1 13 13 THR MG H . . . . 12 . HG2# rr_2l2x 1
108 1 . 1 . 1 1 4 4 DHA H H . . . . 3 . H rr_2l2x 1
108 1 . 2 . 1 1 6 6 SER H H . . . . 5 . H rr_2l2x 1
109 1 . 1 . 1 1 4 4 DHA H H . . . . 3 . H rr_2l2x 1
109 1 . 2 . 1 1 13 13 THR HB H . . . . 12 . HB rr_2l2x 1
110 1 . 1 . 1 1 4 4 DHA H H . . . . 3 . H rr_2l2x 1
110 1 . 2 . 1 1 13 13 THR MG H . . . . 12 . HG2# rr_2l2x 1
111 1 . 1 . 1 1 5 5 ALA HA H . . . . 4 . HA rr_2l2x 1
111 1 . 2 . 1 1 13 13 THR HA H . . . . 12 . HA rr_2l2x 1
112 1 . 1 . 1 1 5 5 ALA HA H . . . . 4 . HA rr_2l2x 1
112 1 . 2 . 1 1 13 13 THR HB H . . . . 12 . HB rr_2l2x 1
113 1 . 1 . 1 1 5 5 ALA HA H . . . . 4 . HA rr_2l2x 1
113 1 . 2 . 1 1 13 13 THR MG H . . . . 12 . HG2# rr_2l2x 1
114 1 . 1 . 1 1 5 5 ALA HA H . . . . 4 . HA rr_2l2x 1
114 1 . 2 . 1 1 15 15 Mh6 HB2 H . . . . 14 . HB2 rr_2l2x 1
115 1 . 1 . 1 1 5 5 ALA MB H . . . . 4 . HB# rr_2l2x 1
115 1 . 2 . 1 1 13 13 THR HB H . . . . 12 . HB rr_2l2x 1
116 1 . 1 . 1 1 5 5 ALA MB H . . . . 4 . HB# rr_2l2x 1
116 1 . 2 . 1 1 15 15 Mh6 HB2 H . . . . 14 . HB2 rr_2l2x 1
117 1 . 1 . 1 1 6 6 SER H H . . . . 5 . H rr_2l2x 1
117 1 . 2 . 1 1 8 8 THR H H . . . . 7 . H rr_2l2x 1
118 1 . 1 . 1 1 6 6 SER H H . . . . 5 . H rr_2l2x 1
118 1 . 2 . 1 1 13 13 THR HA H . . . . 12 . HA rr_2l2x 1
119 1 . 1 . 1 1 6 6 SER H H . . . . 5 . H rr_2l2x 1
119 1 . 2 . 1 1 13 13 THR HB H . . . . 12 . HB rr_2l2x 1
120 1 . 1 . 1 1 6 6 SER H H . . . . 5 . H rr_2l2x 1
120 1 . 2 . 1 1 13 13 THR MG H . . . . 12 . HG2# rr_2l2x 1
121 1 . 1 . 1 1 8 8 THR H H . . . . 7 . H rr_2l2x 1
121 1 . 2 . 1 1 14 14 Bb9 HB H . . . . 13 . HB rr_2l2x 1
122 1 . 1 . 1 1 8 8 THR MG H . . . . 7 . HG2# rr_2l2x 1
122 1 . 2 . 1 1 11 11 Ts9 H H . . . . 10 . H rr_2l2x 1
123 1 . 1 . 1 1 8 8 THR MG H . . . . 7 . HG2# rr_2l2x 1
123 1 . 2 . 1 1 11 11 Ts9 HG1 H . . . . 10 . HG1 rr_2l2x 1
124 1 . 1 . 1 1 8 8 THR MG H . . . . 7 . HG2# rr_2l2x 1
124 1 . 2 . 1 1 13 13 THR H H . . . . 12 . H rr_2l2x 1
125 1 . 1 . 1 1 8 8 THR MG H . . . . 7 . HG2# rr_2l2x 1
125 1 . 2 . 1 1 13 13 THR HB H . . . . 12 . HB rr_2l2x 1
126 1 . 1 . 1 1 8 8 THR MG H . . . . 7 . HG2# rr_2l2x 1
126 1 . 2 . 1 1 14 14 Bb9 HB H . . . . 13 . HB rr_2l2x 1
127 1 . 1 . 1 1 9 9 DBU HG* H . . . . 8 . HG# rr_2l2x 1
127 1 . 2 . 1 1 14 14 Bb9 HB H . . . . 13 . HB rr_2l2x 1
128 1 . 1 . 1 1 11 11 Ts9 H H . . . . 10 . H rr_2l2x 1
128 1 . 2 . 1 1 13 13 THR H H . . . . 12 . H rr_2l2x 1
129 1 . 1 . 1 1 15 15 Mh6 HB2 H . . . . 14 . HB2 rr_2l2x 1
129 1 . 2 . 1 1 17 17 DHA H H . . . . 16 . H rr_2l2x 1
130 1 . 1 . 1 1 15 15 Mh6 HB3 H . . . . 14 . HB3 rr_2l2x 1
130 1 . 2 . 1 1 17 17 DHA H H . . . . 16 . H rr_2l2x 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 . . . . . . 2.18 1.59 2.77 rr_2l2x 1
2 1 . . . . . . 5.06 1.22 6.50 rr_2l2x 1
3 1 . . . . . . 2.03 1.62 2.44 rr_2l2x 1
4 1 . . . . . . 2.26 1.62 2.90 rr_2l2x 1
5 1 . . . . . . 4.19 1.99 6.39 rr_2l2x 1
6 1 . . . . . . 4.80 1.92 6.50 rr_2l2x 1
7 1 . . . . . . 2.46 1.85 3.07 rr_2l2x 1
8 1 . . . . . . 2.46 1.55 3.37 rr_2l2x 1
9 1 . . . . . . 2.59 1.92 3.26 rr_2l2x 1
10 1 . . . . . . 2.69 1.96 3.42 rr_2l2x 1
11 1 . . . . . . 2.72 1.98 3.46 rr_2l2x 1
12 1 . . . . . . 3.00 2.10 3.90 rr_2l2x 1
13 1 . . . . . . 2.47 1.71 3.23 rr_2l2x 1
14 1 . . . . . . 3.30 2.21 4.39 rr_2l2x 1
15 1 . . . . . . 3.55 1.98 5.12 rr_2l2x 1
16 1 . . . . . . 1.59 1.34 2.20 rr_2l2x 1
17 1 . . . . . . 2.75 2.00 3.50 rr_2l2x 1
18 1 . . . . . . 2.82 2.03 3.61 rr_2l2x 1
19 1 . . . . . . 2.38 1.67 3.09 rr_2l2x 1
20 1 . . . . . . 3.47 1.97 4.97 rr_2l2x 1
21 1 . . . . . . 4.32 1.52 6.50 rr_2l2x 1
22 1 . . . . . . 1.85 1.51 2.20 rr_2l2x 1
23 1 . . . . . . 2.76 1.62 3.90 rr_2l2x 1
24 1 . . . . . . 3.05 2.12 3.98 rr_2l2x 1
25 1 . . . . . . 2.60 1.93 3.27 rr_2l2x 1
26 1 . . . . . . 2.65 1.95 3.35 rr_2l2x 1
27 1 . . . . . . 3.49 2.27 4.71 rr_2l2x 1
28 1 . . . . . . 2.82 1.43 4.21 rr_2l2x 1
29 1 . . . . . . 2.63 1.94 3.32 rr_2l2x 1
30 1 . . . . . . 3.15 2.16 4.14 rr_2l2x 1
31 1 . . . . . . 2.71 1.61 3.81 rr_2l2x 1
32 1 . . . . . . 3.37 2.23 4.51 rr_2l2x 1
33 1 . . . . . . 2.76 2.00 3.52 rr_2l2x 1
34 1 . . . . . . 2.58 1.91 3.25 rr_2l2x 1
35 1 . . . . . . 2.57 1.91 3.23 rr_2l2x 1
36 1 . . . . . . 2.25 1.62 2.88 rr_2l2x 1
37 1 . . . . . . 2.10 1.66 2.54 rr_2l2x 1
38 1 . . . . . . 3.31 2.22 4.40 rr_2l2x 1
39 1 . . . . . . 3.73 1.99 5.47 rr_2l2x 1
40 1 . . . . . . 1.85 1.51 2.20 rr_2l2x 1
41 1 . . . . . . 1.61 1.29 2.20 rr_2l2x 1
42 1 . . . . . . 5.28 1.09 6.50 rr_2l2x 1
43 1 . . . . . . 4.19 1.11 6.50 rr_2l2x 1
44 1 . . . . . . 2.65 1.95 3.35 rr_2l2x 1
45 1 . . . . . . 3.05 2.12 3.98 rr_2l2x 1
46 1 . . . . . . 2.13 1.68 2.58 rr_2l2x 1
47 1 . . . . . . 5.39 1.03 6.50 rr_2l2x 1
48 1 . . . . . . 4.90 1.29 6.50 rr_2l2x 1
49 1 . . . . . . 3.29 2.21 4.37 rr_2l2x 1
50 1 . . . . . . 4.19 1.56 6.50 rr_2l2x 1
51 1 . . . . . . 3.34 2.23 4.45 rr_2l2x 1
52 1 . . . . . . 3.84 1.63 6.05 rr_2l2x 1
53 1 . . . . . . 3.13 1.90 4.36 rr_2l2x 1
54 1 . . . . . . 3.85 2.00 5.70 rr_2l2x 1
55 1 . . . . . . 5.00 1.24 6.50 rr_2l2x 1
56 1 . . . . . . 3.82 1.63 6.01 rr_2l2x 1
57 1 . . . . . . 2.03 1.62 2.44 rr_2l2x 1
58 1 . . . . . . 2.73 1.98 3.48 rr_2l2x 1
59 1 . . . . . . 3.89 1.24 6.50 rr_2l2x 1
60 1 . . . . . . 3.49 1.96 5.02 rr_2l2x 1
61 1 . . . . . . 3.69 1.64 5.74 rr_2l2x 1
62 1 . . . . . . 3.29 1.67 4.91 rr_2l2x 1
63 1 . . . . . . 3.65 2.32 4.98 rr_2l2x 1
64 1 . . . . . . 3.56 1.34 5.78 rr_2l2x 1
65 1 . . . . . . 1.88 1.53 2.23 rr_2l2x 1
66 1 . . . . . . 5.62 0.09 6.50 rr_2l2x 1
67 1 . . . . . . 4.52 1.45 6.50 rr_2l2x 1
68 1 . . . . . . 3.67 1.98 5.36 rr_2l2x 1
69 1 . . . . . . 2.08 1.65 2.51 rr_2l2x 1
70 1 . . . . . . 3.26 2.20 4.32 rr_2l2x 1
71 1 . . . . . . 3.60 1.65 5.55 rr_2l2x 1
72 1 . . . . . . 4.08 1.59 6.50 rr_2l2x 1
73 1 . . . . . . 4.49 1.46 6.50 rr_2l2x 1
74 1 . . . . . . 3.09 1.42 4.76 rr_2l2x 1
75 1 . . . . . . 3.50 1.97 5.03 rr_2l2x 1
76 1 . . . . . . 3.51 1.66 5.36 rr_2l2x 1
77 1 . . . . . . 4.76 1.37 6.50 rr_2l2x 1
78 1 . . . . . . 4.40 1.49 6.50 rr_2l2x 1
79 1 . . . . . . 4.48 1.47 6.50 rr_2l2x 1
80 1 . . . . . . 3.56 2.29 4.83 rr_2l2x 1
81 1 . . . . . . 2.66 1.95 3.37 rr_2l2x 1
82 1 . . . . . . 4.40 1.49 6.50 rr_2l2x 1
83 1 . . . . . . 4.11 1.57 6.50 rr_2l2x 1
84 1 . . . . . . 4.46 1.47 6.50 rr_2l2x 1
85 1 . . . . . . 4.99 1.25 6.50 rr_2l2x 1
86 1 . . . . . . 3.25 2.20 4.30 rr_2l2x 1
87 1 . . . . . . 5.27 0.41 6.50 rr_2l2x 1
88 1 . . . . . . 2.80 2.02 3.58 rr_2l2x 1
89 1 . . . . . . 2.81 2.02 3.60 rr_2l2x 1
90 1 . . . . . . 3.30 1.94 4.66 rr_2l2x 1
91 1 . . . . . . 2.44 1.84 3.04 rr_2l2x 1
92 1 . . . . . . 3.55 2.29 4.81 rr_2l2x 1
93 1 . . . . . . 4.53 1.46 6.50 rr_2l2x 1
94 1 . . . . . . 3.50 2.28 4.72 rr_2l2x 1
95 1 . . . . . . 5.07 0.56 6.50 rr_2l2x 1
96 1 . . . . . . 3.92 1.62 6.22 rr_2l2x 1
97 1 . . . . . . 5.29 1.09 6.50 rr_2l2x 1
98 1 . . . . . . 5.17 0.50 6.50 rr_2l2x 1
99 1 . . . . . . 3.59 2.30 4.88 rr_2l2x 1
100 1 . . . . . . 3.63 1.98 5.28 rr_2l2x 1
101 1 . . . . . . 3.39 2.24 4.54 rr_2l2x 1
102 1 . . . . . . 5.35 0.34 6.50 rr_2l2x 1
103 1 . . . . . . 3.72 2.33 5.11 rr_2l2x 1
104 1 . . . . . . 2.71 1.97 3.45 rr_2l2x 1
105 1 . . . . . . 4.50 1.47 6.50 rr_2l2x 1
106 1 . . . . . . 5.10 1.19 6.50 rr_2l2x 1
107 1 . . . . . . 2.90 2.06 3.74 rr_2l2x 1
108 1 . . . . . . 4.72 1.37 6.50 rr_2l2x 1
109 1 . . . . . . 3.26 2.19 4.33 rr_2l2x 1
110 1 . . . . . . 2.56 1.91 3.21 rr_2l2x 1
111 1 . . . . . . 5.12 1.19 6.50 rr_2l2x 1
112 1 . . . . . . 2.45 1.85 3.05 rr_2l2x 1
113 1 . . . . . . 3.55 1.98 5.12 rr_2l2x 1
114 1 . . . . . . 4.91 0.68 6.50 rr_2l2x 1
115 1 . . . . . . 4.64 1.42 6.50 rr_2l2x 1
116 1 . . . . . . 3.80 1.63 5.97 rr_2l2x 1
117 1 . . . . . . 4.28 1.07 6.50 rr_2l2x 1
118 1 . . . . . . 3.46 2.27 4.65 rr_2l2x 1
119 1 . . . . . . 2.49 1.87 3.11 rr_2l2x 1
120 1 . . . . . . 3.18 1.91 4.45 rr_2l2x 1
121 1 . . . . . . 2.57 1.91 3.23 rr_2l2x 1
122 1 . . . . . . 2.58 1.92 3.24 rr_2l2x 1
123 1 . . . . . . 3.99 2.00 5.98 rr_2l2x 1
124 1 . . . . . . 2.86 2.04 3.68 rr_2l2x 1
125 1 . . . . . . 4.25 1.10 6.50 rr_2l2x 1
126 1 . . . . . . 3.37 2.24 4.50 rr_2l2x 1
127 1 . . . . . . 3.24 1.40 5.08 rr_2l2x 1
128 1 . . . . . . 3.98 1.60 6.36 rr_2l2x 1
129 1 . . . . . . 4.63 1.42 6.50 rr_2l2x 1
130 1 . . . . . . 3.70 1.99 5.41 rr_2l2x 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_2l2x 1
2 "# Sequential NOEs" 56 1 56 17 rr_2l2x 1
3 "# Medium and long range NOEs" 121 1 121 28 rr_2l2x 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 28 1 "Not handling restraint 28, item 1, resonance(s) ' .8.H1' (nmrStar names) not linked" rr_2l2x 1
2 2 29 1 "Not handling restraint 29, item 1, resonance(s) ' .8.H1' (nmrStar names),' .8.HB1' (nmrStar names) not linked" rr_2l2x 1
3 2 30 1 "Not handling restraint 30, item 1, resonance(s) ' .8.HB1' (nmrStar names) not linked" rr_2l2x 1
4 2 33 1 "Not handling restraint 33, item 1, resonance(s) ' .10.HG2#' (nmrStar names) not linked" rr_2l2x 1
5 2 34 1 "Not handling restraint 34, item 1, resonance(s) ' .10.HD1#' (nmrStar names) not linked" rr_2l2x 1
6 2 36 1 "Not handling restraint 36, item 1, resonance(s) ' .10.HG2#' (nmrStar names) not linked" rr_2l2x 1
7 2 37 1 "Not handling restraint 37, item 1, resonance(s) ' .10.HD1#' (nmrStar names) not linked" rr_2l2x 1
8 2 38 1 "Not handling restraint 38, item 1, resonance(s) ' .10.HG2#' (nmrStar names) not linked" rr_2l2x 1
9 2 39 1 "Not handling restraint 39, item 1, resonance(s) ' .10.HD1#' (nmrStar names) not linked" rr_2l2x 1
10 2 46 1 "Not handling restraint 46, item 1, resonance(s) ' .13.HC' (nmrStar names) not linked" rr_2l2x 1
11 2 84 1 "Not handling restraint 84, item 1, resonance(s) ' .8.H1' (nmrStar names) not linked" rr_2l2x 1
12 2 86 1 "Not handling restraint 86, item 1, resonance(s) ' .8.H1' (nmrStar names) not linked" rr_2l2x 1
13 2 88 1 "Not handling restraint 88, item 1, resonance(s) ' .8.H1' (nmrStar names) not linked" rr_2l2x 1
14 2 89 1 "Not handling restraint 89, item 1, resonance(s) ' .8.H1' (nmrStar names) not linked" rr_2l2x 1
15 2 90 1 "Not handling restraint 90, item 1, resonance(s) ' .8.HB1' (nmrStar names) not linked" rr_2l2x 1
16 2 91 1 "Not handling restraint 91, item 1, resonance(s) ' .10.HG2#' (nmrStar names) not linked" rr_2l2x 1
17 2 94 1 "Not handling restraint 94, item 1, resonance(s) ' .13.HC' (nmrStar names) not linked" rr_2l2x 1
18 2 95 1 "Not handling restraint 95, item 1, resonance(s) ' .13.HC' (nmrStar names) not linked" rr_2l2x 1
19 2 103 1 "Not handling restraint 103, item 1, resonance(s) ' .13.HC' (nmrStar names) not linked" rr_2l2x 1
20 2 104 1 "Not handling restraint 104, item 1, resonance(s) ' .13.HC' (nmrStar names) not linked" rr_2l2x 1
21 2 106 1 "Not handling restraint 106, item 1, resonance(s) ' .13.HC' (nmrStar names) not linked" rr_2l2x 1
22 2 120 1 "Not handling restraint 120, item 1, resonance(s) ' .10.HD1#' (nmrStar names) not linked" rr_2l2x 1
23 2 124 1 "Not handling restraint 124, item 1, resonance(s) ' .10.HD1#' (nmrStar names) not linked" rr_2l2x 1
24 2 126 1 "Not handling restraint 126, item 1, resonance(s) ' .10.HG2#' (nmrStar names) not linked" rr_2l2x 1
25 2 130 1 "Not handling restraint 130, item 1, resonance(s) ' .10.HD1#' (nmrStar names) not linked" rr_2l2x 1
26 2 131 1 "Not handling restraint 131, item 1, resonance(s) ' .10.HG2#' (nmrStar names) not linked" rr_2l2x 1
27 2 148 1 "Not handling restraint 148, item 1, resonance(s) ' .13.HC' (nmrStar names) not linked" rr_2l2x 1
28 2 154 1 "Not handling restraint 154, item 1, resonance(s) ' .8.H1' (nmrStar names) not linked" rr_2l2x 1
29 2 157 1 "Not handling restraint 157, item 1, resonance(s) ' .10.HG2#' (nmrStar names) not linked" rr_2l2x 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_2l2x
_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_2l2x 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_2l2x 2
1 2 . 3 . rr_2l2x 2
1 3 . . . rr_2l2x 2
2 1 2 . OR rr_2l2x 2
2 2 . 3 . rr_2l2x 2
2 3 . . . rr_2l2x 2
3 1 2 . OR rr_2l2x 2
3 2 . 3 . rr_2l2x 2
3 3 . . . rr_2l2x 2
4 1 2 . OR rr_2l2x 2
4 2 . 3 . rr_2l2x 2
4 3 . . . rr_2l2x 2
5 1 2 . OR rr_2l2x 2
5 2 . 3 . rr_2l2x 2
5 3 . . . rr_2l2x 2
6 1 2 . OR rr_2l2x 2
6 2 . 3 . rr_2l2x 2
6 3 . . . rr_2l2x 2
7 1 2 . OR rr_2l2x 2
7 2 . 3 . rr_2l2x 2
7 3 . . . rr_2l2x 2
8 1 2 . OR rr_2l2x 2
8 2 . 3 . rr_2l2x 2
8 3 . . . rr_2l2x 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 4 4 DHA HB2 H . . . . 3 . HB2 rr_2l2x 2
1 2 . 2 . 1 1 1 1 QUA HC3 H . . . . 0 . HC3 rr_2l2x 2
1 3 . 1 . 1 1 1 1 QUA H13 H . . . . 0 . H13 rr_2l2x 2
1 3 . 2 . 1 1 1 1 QUA HC3 H . . . . 0 . HC3 rr_2l2x 2
2 2 . 1 . 1 1 8 8 THR HB H . . . . 7 . HB rr_2l2x 2
2 2 . 2 . 1 1 1 1 QUA HC3 H . . . . 0 . HC3 rr_2l2x 2
2 3 . 1 . 1 1 1 1 QUA M14 H . . . . 0 . H14# rr_2l2x 2
2 3 . 2 . 1 1 1 1 QUA HC3 H . . . . 0 . HC3 rr_2l2x 2
3 2 . 1 . 1 1 8 8 THR HB H . . . . 7 . HB rr_2l2x 2
3 2 . 2 . 1 1 1 1 QUA HC5 H . . . . 0 . HC5 rr_2l2x 2
3 3 . 1 . 1 1 1 1 QUA M14 H . . . . 0 . H14# rr_2l2x 2
3 3 . 2 . 1 1 1 1 QUA HC5 H . . . . 0 . HC5 rr_2l2x 2
4 2 . 1 . 1 1 8 8 THR HB H . . . . 7 . HB rr_2l2x 2
4 2 . 2 . 1 1 1 1 QUA HC6 H . . . . 0 . HC6 rr_2l2x 2
4 3 . 1 . 1 1 1 1 QUA M14 H . . . . 0 . H14# rr_2l2x 2
4 3 . 2 . 1 1 1 1 QUA HC6 H . . . . 0 . HC6 rr_2l2x 2
5 2 . 1 . 1 1 8 8 THR HB H . . . . 7 . HB rr_2l2x 2
5 2 . 2 . 1 1 3 3 ALA H H . . . . 2 . H rr_2l2x 2
5 3 . 1 . 1 1 1 1 QUA M14 H . . . . 0 . H14# rr_2l2x 2
5 3 . 2 . 1 1 3 3 ALA H H . . . . 2 . H rr_2l2x 2
6 2 . 1 . 1 1 8 8 THR HB H . . . . 7 . HB rr_2l2x 2
6 2 . 2 . 1 1 7 7 Bb9 HB H . . . . 6 . HB rr_2l2x 2
6 3 . 1 . 1 1 1 1 QUA M14 H . . . . 0 . H14# rr_2l2x 2
6 3 . 2 . 1 1 7 7 Bb9 HB H . . . . 6 . HB rr_2l2x 2
7 2 . 1 . 1 1 8 8 THR MG H . . . . 7 . HG2# rr_2l2x 2
7 2 . 2 . 1 1 11 11 Ts9 HA H . . . . 10 . HA rr_2l2x 2
7 3 . 1 . 1 1 8 8 THR MG H . . . . 7 . HG2# rr_2l2x 2
7 3 . 2 . 1 1 13 13 THR HA H . . . . 12 . HA rr_2l2x 2
8 2 . 1 . 1 1 11 11 Ts9 HA H . . . . 10 . HA rr_2l2x 2
8 2 . 2 . 1 1 12 12 Bb9 HB H . . . . 11 . HB rr_2l2x 2
8 3 . 1 . 1 1 13 13 THR HA H . . . . 12 . HA rr_2l2x 2
8 3 . 2 . 1 1 12 12 Bb9 HB H . . . . 11 . HB rr_2l2x 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 . . . . . . 2.97 2.09 3.85 rr_2l2x 2
1 3 . . . . . . 2.97 2.09 3.85 rr_2l2x 2
2 2 . . . . . . 2.88 2.05 3.71 rr_2l2x 2
2 3 . . . . . . 2.88 2.05 3.71 rr_2l2x 2
3 2 . . . . . . 2.85 2.04 3.66 rr_2l2x 2
3 3 . . . . . . 2.85 2.04 3.66 rr_2l2x 2
4 2 . . . . . . 4.07 2.00 6.14 rr_2l2x 2
4 3 . . . . . . 4.07 2.00 6.14 rr_2l2x 2
5 2 . . . . . . 3.38 1.38 5.38 rr_2l2x 2
5 3 . . . . . . 3.38 1.38 5.38 rr_2l2x 2
6 2 . . . . . . 4.53 1.45 6.50 rr_2l2x 2
6 3 . . . . . . 4.53 1.45 6.50 rr_2l2x 2
7 2 . . . . . . 4.17 1.56 6.50 rr_2l2x 2
7 3 . . . . . . 4.17 1.56 6.50 rr_2l2x 2
8 2 . . . . . . 4.40 1.50 6.50 rr_2l2x 2
8 3 . . . . . . 4.40 1.50 6.50 rr_2l2x 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_2l2x 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_2l2x
_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 2L2X *TITLE THIOSTREPTON, OXIDIZED AT CA-CB BOND 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 2L2X 0"
save_
Contact the webmaster for help, if required. Tuesday, May 28, 2024 9:00:12 PM GMT (wattos1)