NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
382121 |
1jdk   |
5136 | cing | 3-converted-DOCR | STAR | entry | full | 84 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_1jdk
# This DOCR archive file contains, for PDB entry <1jdk>:
#
# - 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, W Vranken, C Penkett, J Lin, CF Schulte, G Vuister, G Vriend,
# JL Markley, EL Ulrich. BioMagResBank database `NMR Restraints Grid` with
# curated sets of experimental NMR restraints for over 4,000 protein and nucleic
# acid PDB entries. (in preparation)
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID rr_1jdk
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 1jdk"
_Entry.NMR_STAR_version 3.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_Entry.Details "Contains the remediated restraint lists and coordinates for PDB entry 1jdk"
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_1jdk
_Assembly.ID 1
_Assembly.Name 1jdk
_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 1415.605
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 "ACETYL GROUP" 1 $ACETYL_GROUP A . no . . . . . . rr_1jdk 1
stop_
save_
save_ACETYL_GROUP
_Entity.Sf_category entity
_Entity.Sf_framecode ACETYL_GROUP
_Entity.Entry_ID rr_1jdk
_Entity.ID 1
_Entity.Name ACETYL_GROUP
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code XIWGESGKLIXTTA
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer yes
_Entity.Nstd_chirality yes
_Entity.Nstd_linkage yes
_Entity.Number_of_monomers 14
_Entity.Paramagnetic no
_Entity.Thiol_state "not present"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 1415.605
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 . ACE . rr_1jdk 1
2 . ILE . rr_1jdk 1
3 . TRP . rr_1jdk 1
4 . GLY . rr_1jdk 1
5 . GLU . rr_1jdk 1
6 . SER . rr_1jdk 1
7 . GLY . rr_1jdk 1
8 . LYS . rr_1jdk 1
9 . LEU . rr_1jdk 1
10 . ILE . rr_1jdk 1
11 . . . rr_1jdk 1
12 . THR . rr_1jdk 1
13 . THR . rr_1jdk 1
14 . ALA . rr_1jdk 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. ACE 1 1 rr_1jdk 1
. ILE 2 2 rr_1jdk 1
. TRP 3 3 rr_1jdk 1
. GLY 4 4 rr_1jdk 1
. GLU 5 5 rr_1jdk 1
. SER 6 6 rr_1jdk 1
. GLY 7 7 rr_1jdk 1
. LYS 8 8 rr_1jdk 1
. LEU 9 9 rr_1jdk 1
. ILE 10 10 rr_1jdk 1
. . 11 11 rr_1jdk 1
. THR 12 12 rr_1jdk 1
. THR 13 13 rr_1jdk 1
. ALA 14 14 rr_1jdk 1
stop_
save_
save_chem_comp_ACE
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_ACE
_Chem_comp.Entry_ID rr_1jdk
_Chem_comp.ID ACE
_Chem_comp.Name "ACETYL GROUP"
_Chem_comp.Type non-polymer
_Chem_comp.PDB_code ACE
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C2 H3 O"
_Chem_comp.Formula_weight 43.0451
loop_
_Chem_comp_common_name.Name
_Chem_comp_common_name.Type
_Chem_comp_common_name.Entry_ID
_Chem_comp_common_name.Comp_ID
acetaldehyde name rr_1jdk ACE
stop_
save_
save_chem_comp_DAB
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_DAB
_Chem_comp.Entry_ID rr_1jdk
_Chem_comp.ID 1
_Chem_comp.Name Dab
_Chem_comp.Type "L-peptide linking"
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C4 H7 N2 O"
_Chem_comp.Formula_weight 99.1121
save_
save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID rr_1jdk
_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 25
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_1jdk
_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_1jdk 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_1jdk 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 ACE C C 0.109 0.906 3.393 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . rr_1jdk 1
. 1 . 2 . 1 1 1 ACE CH3 C 0.121 -0.574 3.024 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . rr_1jdk 1
. 1 . 3 . 1 1 1 ACE H1 H -0.898 -0.947 2.811 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . rr_1jdk 1
. 1 . 4 . 1 1 1 ACE H2 H 0.748 -0.763 2.132 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . rr_1jdk 1
. 1 . 5 . 1 1 1 ACE H3 H 0.530 -1.186 3.848 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . rr_1jdk 1
. 1 . 6 . 1 1 1 ACE O O 0.527 1.281 4.492 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . rr_1jdk 1
. 1 . 7 . 1 1 2 ILE C C -1.979 3.618 2.434 . . . 1.0 . . . . . . . . . . . . A . 2 ILE C . . . . . . . . . rr_1jdk 1
. 1 . 8 . 1 1 2 ILE CA C -0.476 3.205 2.606 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CA . . . . . . . . . rr_1jdk 1
. 1 . 9 . 1 1 2 ILE CB C 0.592 3.930 1.683 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CB . . . . . . . . . rr_1jdk 1
. 1 . 10 . 1 1 2 ILE CD1 C 2.580 4.018 3.384 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CD1 . . . . . . . . . rr_1jdk 1
. 1 . 11 . 1 1 2 ILE CG1 C 1.610 4.800 2.479 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG1 . . . . . . . . . rr_1jdk 1
. 1 . 12 . 1 1 2 ILE CG2 C 0.023 4.783 0.519 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG2 . . . . . . . . . rr_1jdk 1
. 1 . 13 . 1 1 2 ILE H H -0.744 1.238 1.622 . . . 1.0 . . . . . . . . . . . . A . 2 ILE H . . . . . . . . . rr_1jdk 1
. 1 . 14 . 1 1 2 ILE HA H -0.222 3.450 3.658 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HA . . . . . . . . . rr_1jdk 1
. 1 . 15 . 1 1 2 ILE HB H 1.209 3.165 1.170 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HB . . . . . . . . . rr_1jdk 1
. 1 . 16 . 1 1 2 ILE HD11 H 3.334 4.689 3.837 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD11 . . . . . . . . . rr_1jdk 1
. 1 . 17 . 1 1 2 ILE HD12 H 2.061 3.509 4.216 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD12 . . . . . . . . . rr_1jdk 1
. 1 . 18 . 1 1 2 ILE HD13 H 3.135 3.244 2.824 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD13 . . . . . . . . . rr_1jdk 1
. 1 . 19 . 1 1 2 ILE HG12 H 2.235 5.385 1.775 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG12 . . . . . . . . . rr_1jdk 1
. 1 . 20 . 1 1 2 ILE HG13 H 1.072 5.557 3.081 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG13 . . . . . . . . . rr_1jdk 1
. 1 . 21 . 1 1 2 ILE HG21 H -0.689 4.209 -0.100 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG21 . . . . . . . . . rr_1jdk 1
. 1 . 22 . 1 1 2 ILE HG22 H -0.516 5.678 0.882 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG22 . . . . . . . . . rr_1jdk 1
. 1 . 23 . 1 1 2 ILE HG23 H 0.819 5.132 -0.166 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG23 . . . . . . . . . rr_1jdk 1
. 1 . 24 . 1 1 2 ILE N N -0.376 1.723 2.448 . . . 1.0 . . . . . . . . . . . . A . 2 ILE N . . . . . . . . . rr_1jdk 1
. 1 . 25 . 1 1 2 ILE O O -2.696 3.092 1.572 . . . 1.0 . . . . . . . . . . . . A . 2 ILE O . . . . . . . . . rr_1jdk 1
. 1 . 26 . 1 1 3 TRP C C -3.922 6.294 2.185 . . . 1.0 . . . . . . . . . . . . A . 3 TRP C . . . . . . . . . rr_1jdk 1
. 1 . 27 . 1 1 3 TRP CA C -3.837 5.108 3.191 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CA . . . . . . . . . rr_1jdk 1
. 1 . 28 . 1 1 3 TRP CB C -4.335 5.463 4.624 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CB . . . . . . . . . rr_1jdk 1
. 1 . 29 . 1 1 3 TRP CD1 C -5.843 3.658 5.791 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD1 . . . . . . . . . rr_1jdk 1
. 1 . 30 . 1 1 3 TRP CD2 C -3.671 3.486 6.249 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD2 . . . . . . . . . rr_1jdk 1
. 1 . 31 . 1 1 3 TRP CE2 C -4.378 2.444 6.901 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE2 . . . . . . . . . rr_1jdk 1
. 1 . 32 . 1 1 3 TRP CE3 C -2.258 3.565 6.353 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE3 . . . . . . . . . rr_1jdk 1
. 1 . 33 . 1 1 3 TRP CG C -4.586 4.252 5.541 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CG . . . . . . . . . rr_1jdk 1
. 1 . 34 . 1 1 3 TRP CH2 C -2.286 1.569 7.745 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CH2 . . . . . . . . . rr_1jdk 1
. 1 . 35 . 1 1 3 TRP CZ2 C -3.678 1.474 7.658 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ2 . . . . . . . . . rr_1jdk 1
. 1 . 36 . 1 1 3 TRP CZ3 C -1.587 2.598 7.102 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ3 . . . . . . . . . rr_1jdk 1
. 1 . 37 . 1 1 3 TRP H H -1.739 5.003 3.871 . . . 1.0 . . . . . . . . . . . . A . 3 TRP H . . . . . . . . . rr_1jdk 1
. 1 . 38 . 1 1 3 TRP HA H -4.514 4.303 2.835 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HA . . . . . . . . . rr_1jdk 1
. 1 . 39 . 1 1 3 TRP HB2 H -3.641 6.169 5.118 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB2 . . . . . . . . . rr_1jdk 1
. 1 . 40 . 1 1 3 TRP HB3 H -5.283 6.032 4.545 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB3 . . . . . . . . . rr_1jdk 1
. 1 . 41 . 1 1 3 TRP HD1 H -6.775 4.005 5.369 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HD1 . . . . . . . . . rr_1jdk 1
. 1 . 42 . 1 1 3 TRP HE1 H -6.484 1.912 6.956 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE1 . . . . . . . . . rr_1jdk 1
. 1 . 43 . 1 1 3 TRP HE3 H -1.712 4.342 5.837 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE3 . . . . . . . . . rr_1jdk 1
. 1 . 44 . 1 1 3 TRP HH2 H -1.739 0.830 8.314 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HH2 . . . . . . . . . rr_1jdk 1
. 1 . 45 . 1 1 3 TRP HZ2 H -4.204 0.669 8.150 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ2 . . . . . . . . . rr_1jdk 1
. 1 . 46 . 1 1 3 TRP HZ3 H -0.511 2.637 7.176 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ3 . . . . . . . . . rr_1jdk 1
. 1 . 47 . 1 1 3 TRP N N -2.432 4.607 3.227 . . . 1.0 . . . . . . . . . . . . A . 3 TRP N . . . . . . . . . rr_1jdk 1
. 1 . 48 . 1 1 3 TRP NE1 N -5.735 2.537 6.635 . . . 1.0 . . . . . . . . . . . . A . 3 TRP NE1 . . . . . . . . . rr_1jdk 1
. 1 . 49 . 1 1 3 TRP O O -3.837 7.472 2.543 . . . 1.0 . . . . . . . . . . . . A . 3 TRP O . . . . . . . . . rr_1jdk 1
. 1 . 50 . 1 1 4 GLY C C -4.163 6.106 -1.547 . . . 1.0 . . . . . . . . . . . . A . 4 GLY C . . . . . . . . . rr_1jdk 1
. 1 . 51 . 1 1 4 GLY CA C -4.168 6.875 -0.215 . . . 1.0 . . . . . . . . . . . . A . 4 GLY CA . . . . . . . . . rr_1jdk 1
. 1 . 52 . 1 1 4 GLY H H -4.022 4.904 0.780 . . . 1.0 . . . . . . . . . . . . A . 4 GLY H . . . . . . . . . rr_1jdk 1
. 1 . 53 . 1 1 4 GLY HA2 H -5.095 7.473 -0.133 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA2 . . . . . . . . . rr_1jdk 1
. 1 . 54 . 1 1 4 GLY HA3 H -3.331 7.601 -0.181 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA3 . . . . . . . . . rr_1jdk 1
. 1 . 55 . 1 1 4 GLY N N -4.083 5.920 0.910 . . . 1.0 . . . . . . . . . . . . A . 4 GLY N . . . . . . . . . rr_1jdk 1
. 1 . 56 . 1 1 4 GLY O O -5.224 5.905 -2.143 . . . 1.0 . . . . . . . . . . . . A . 4 GLY O . . . . . . . . . rr_1jdk 1
. 1 . 57 . 1 1 5 GLU C C -1.777 3.777 -2.952 . . . 1.0 . . . . . . . . . . . . A . 5 GLU C . . . . . . . . . rr_1jdk 1
. 1 . 58 . 1 1 5 GLU CA C -2.799 4.915 -3.261 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CA . . . . . . . . . rr_1jdk 1
. 1 . 59 . 1 1 5 GLU CB C -2.372 5.864 -4.423 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CB . . . . . . . . . rr_1jdk 1
. 1 . 60 . 1 1 5 GLU CD C -1.886 4.104 -6.299 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CD . . . . . . . . . rr_1jdk 1
. 1 . 61 . 1 1 5 GLU CG C -2.641 5.369 -5.867 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CG . . . . . . . . . rr_1jdk 1
. 1 . 62 . 1 1 5 GLU H H -2.170 5.922 -1.399 . . . 1.0 . . . . . . . . . . . . A . 5 GLU H . . . . . . . . . rr_1jdk 1
. 1 . 63 . 1 1 5 GLU HA H -3.772 4.468 -3.554 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HA . . . . . . . . . rr_1jdk 1
. 1 . 64 . 1 1 5 GLU HB2 H -2.917 6.824 -4.326 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB2 . . . . . . . . . rr_1jdk 1
. 1 . 65 . 1 1 5 GLU HB3 H -1.308 6.143 -4.326 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB3 . . . . . . . . . rr_1jdk 1
. 1 . 66 . 1 1 5 GLU HG2 H -3.726 5.192 -5.990 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG2 . . . . . . . . . rr_1jdk 1
. 1 . 67 . 1 1 5 GLU HG3 H -2.418 6.189 -6.578 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG3 . . . . . . . . . rr_1jdk 1
. 1 . 68 . 1 1 5 GLU N N -2.966 5.687 -2.002 . . . 1.0 . . . . . . . . . . . . A . 5 GLU N . . . . . . . . . rr_1jdk 1
. 1 . 69 . 1 1 5 GLU O O -0.575 4.035 -2.816 . . . 1.0 . . . . . . . . . . . . A . 5 GLU O . . . . . . . . . rr_1jdk 1
. 1 . 70 . 1 1 5 GLU OE1 O -2.464 3.014 -6.271 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE1 . . . . . . . . . rr_1jdk 1
. 1 . 71 . 1 1 6 SER C C -1.793 0.139 -3.432 . . . 1.0 . . . . . . . . . . . . A . 6 SER C . . . . . . . . . rr_1jdk 1
. 1 . 72 . 1 1 6 SER CA C -1.386 1.343 -2.530 . . . 1.0 . . . . . . . . . . . . A . 6 SER CA . . . . . . . . . rr_1jdk 1
. 1 . 73 . 1 1 6 SER CB C -1.226 1.091 -1.005 . . . 1.0 . . . . . . . . . . . . A . 6 SER CB . . . . . . . . . rr_1jdk 1
. 1 . 74 . 1 1 6 SER H H -3.258 2.438 -3.041 . . . 1.0 . . . . . . . . . . . . A . 6 SER H . . . . . . . . . rr_1jdk 1
. 1 . 75 . 1 1 6 SER HA H -0.356 1.571 -2.866 . . . 1.0 . . . . . . . . . . . . A . 6 SER HA . . . . . . . . . rr_1jdk 1
. 1 . 76 . 1 1 6 SER HB2 H -0.540 0.240 -0.829 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB2 . . . . . . . . . rr_1jdk 1
. 1 . 77 . 1 1 6 SER HB3 H -0.740 1.956 -0.521 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB3 . . . . . . . . . rr_1jdk 1
. 1 . 78 . 1 1 6 SER HG H -2.947 1.664 -0.348 . . . 1.0 . . . . . . . . . . . . A . 6 SER HG . . . . . . . . . rr_1jdk 1
. 1 . 79 . 1 1 6 SER N N -2.259 2.524 -2.820 . . . 1.0 . . . . . . . . . . . . A . 6 SER N . . . . . . . . . rr_1jdk 1
. 1 . 80 . 1 1 6 SER O O -1.533 0.203 -4.638 . . . 1.0 . . . . . . . . . . . . A . 6 SER O . . . . . . . . . rr_1jdk 1
. 1 . 81 . 1 1 6 SER OG O -2.470 0.829 -0.361 . . . 1.0 . . . . . . . . . . . . A . 6 SER OG . . . . . . . . . rr_1jdk 1
. 1 . 82 . 1 1 7 GLY C C -1.777 -3.270 -3.610 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . rr_1jdk 1
. 1 . 83 . 1 1 7 GLY CA C -2.797 -2.122 -3.707 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . rr_1jdk 1
. 1 . 84 . 1 1 7 GLY H H -2.430 -0.973 -1.868 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . rr_1jdk 1
. 1 . 85 . 1 1 7 GLY HA2 H -3.773 -2.484 -3.334 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . rr_1jdk 1
. 1 . 86 . 1 1 7 GLY HA3 H -2.989 -1.854 -4.765 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . rr_1jdk 1
. 1 . 87 . 1 1 7 GLY N N -2.396 -0.946 -2.895 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . rr_1jdk 1
. 1 . 88 . 1 1 7 GLY O O -1.990 -4.226 -2.860 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . rr_1jdk 1
. 1 . 89 . 1 1 8 LYS C C 1.338 -4.060 -3.136 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . rr_1jdk 1
. 1 . 90 . 1 1 8 LYS CA C 0.409 -4.181 -4.390 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . rr_1jdk 1
. 1 . 91 . 1 1 8 LYS CB C 1.142 -4.099 -5.760 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . rr_1jdk 1
. 1 . 92 . 1 1 8 LYS CD C 2.969 -5.089 -7.335 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . rr_1jdk 1
. 1 . 93 . 1 1 8 LYS CE C 3.940 -3.894 -7.465 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . rr_1jdk 1
. 1 . 94 . 1 1 8 LYS CG C 2.189 -5.212 -6.005 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . rr_1jdk 1
. 1 . 95 . 1 1 8 LYS H H -0.629 -2.305 -4.939 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . rr_1jdk 1
. 1 . 96 . 1 1 8 LYS HA H -0.060 -5.185 -4.351 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . rr_1jdk 1
. 1 . 97 . 1 1 8 LYS HB2 H 0.400 -4.143 -6.581 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . rr_1jdk 1
. 1 . 98 . 1 1 8 LYS HB3 H 1.624 -3.109 -5.861 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . rr_1jdk 1
. 1 . 99 . 1 1 8 LYS HD2 H 3.532 -6.027 -7.504 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . rr_1jdk 1
. 1 . 100 . 1 1 8 LYS HD3 H 2.244 -5.049 -8.170 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . rr_1jdk 1
. 1 . 101 . 1 1 8 LYS HE2 H 4.339 -3.864 -8.496 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . rr_1jdk 1
. 1 . 102 . 1 1 8 LYS HE3 H 3.404 -2.937 -7.331 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . rr_1jdk 1
. 1 . 103 . 1 1 8 LYS HG2 H 2.911 -5.251 -5.167 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . rr_1jdk 1
. 1 . 104 . 1 1 8 LYS HG3 H 1.677 -6.193 -5.986 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . rr_1jdk 1
. 1 . 105 . 1 1 8 LYS HZ1 H 5.730 -3.190 -6.697 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . rr_1jdk 1
. 1 . 106 . 1 1 8 LYS HZ2 H 5.612 -4.821 -6.673 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . rr_1jdk 1
. 1 . 107 . 1 1 8 LYS N N -0.674 -3.162 -4.375 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . rr_1jdk 1
. 1 . 108 . 1 1 8 LYS NZ N 5.075 -3.960 -6.522 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . rr_1jdk 1
. 1 . 109 . 1 1 8 LYS O O 1.320 -4.958 -2.290 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . rr_1jdk 1
. 1 . 110 . 1 1 9 LEU C C 3.191 -1.233 -1.594 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . rr_1jdk 1
. 1 . 111 . 1 1 9 LEU CA C 3.064 -2.760 -1.880 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . rr_1jdk 1
. 1 . 112 . 1 1 9 LEU CB C 4.413 -3.512 -2.117 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . rr_1jdk 1
. 1 . 113 . 1 1 9 LEU CD1 C 4.999 -4.174 0.310 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . rr_1jdk 1
. 1 . 114 . 1 1 9 LEU CD2 C 6.806 -4.052 -1.445 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . rr_1jdk 1
. 1 . 115 . 1 1 9 LEU CG C 5.466 -3.457 -0.974 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . rr_1jdk 1
. 1 . 116 . 1 1 9 LEU H H 2.054 -2.305 -3.795 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . rr_1jdk 1
. 1 . 117 . 1 1 9 LEU HA H 2.602 -3.199 -0.974 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . rr_1jdk 1
. 1 . 118 . 1 1 9 LEU HB2 H 4.200 -4.576 -2.345 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . rr_1jdk 1
. 1 . 119 . 1 1 9 LEU HB3 H 4.872 -3.120 -3.046 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . rr_1jdk 1
. 1 . 120 . 1 1 9 LEU HD11 H 5.769 -4.134 1.104 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . rr_1jdk 1
. 1 . 121 . 1 1 9 LEU HD12 H 4.091 -3.708 0.733 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . rr_1jdk 1
. 1 . 122 . 1 1 9 LEU HD13 H 4.768 -5.240 0.130 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . rr_1jdk 1
. 1 . 123 . 1 1 9 LEU HD21 H 7.199 -3.520 -2.332 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . rr_1jdk 1
. 1 . 124 . 1 1 9 LEU HD22 H 7.584 -3.981 -0.663 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . rr_1jdk 1
. 1 . 125 . 1 1 9 LEU HD23 H 6.714 -5.120 -1.720 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . rr_1jdk 1
. 1 . 126 . 1 1 9 LEU HG H 5.655 -2.396 -0.721 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . rr_1jdk 1
. 1 . 127 . 1 1 9 LEU N N 2.139 -2.978 -3.025 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . rr_1jdk 1
. 1 . 128 . 1 1 9 LEU O O 2.673 -0.770 -0.573 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . rr_1jdk 1
. 1 . 129 . 1 1 10 ILE C C 3.866 1.733 -3.666 . . . 1.0 . . . . . . . . . . . . A . 10 ILE C . . . . . . . . . rr_1jdk 1
. 1 . 130 . 1 1 10 ILE CA C 4.065 1.005 -2.298 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CA . . . . . . . . . rr_1jdk 1
. 1 . 131 . 1 1 10 ILE CB C 5.389 1.338 -1.499 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CB . . . . . . . . . rr_1jdk 1
. 1 . 132 . 1 1 10 ILE CD1 C 4.483 3.009 0.266 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CD1 . . . . . . . . . rr_1jdk 1
. 1 . 133 . 1 1 10 ILE CG1 C 5.415 2.786 -0.933 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CG1 . . . . . . . . . rr_1jdk 1
. 1 . 134 . 1 1 10 ILE CG2 C 6.738 1.060 -2.217 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CG2 . . . . . . . . . rr_1jdk 1
. 1 . 135 . 1 1 10 ILE H H 4.198 -0.991 -3.293 . . . 1.0 . . . . . . . . . . . . A . 10 ILE H . . . . . . . . . rr_1jdk 1
. 1 . 136 . 1 1 10 ILE HA H 3.241 1.365 -1.650 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HA . . . . . . . . . rr_1jdk 1
. 1 . 137 . 1 1 10 ILE HB H 5.403 0.665 -0.619 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HB . . . . . . . . . rr_1jdk 1
. 1 . 138 . 1 1 10 ILE HD11 H 3.420 2.876 0.001 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD11 . . . . . . . . . rr_1jdk 1
. 1 . 139 . 1 1 10 ILE HD12 H 4.712 2.303 1.088 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD12 . . . . . . . . . rr_1jdk 1
. 1 . 140 . 1 1 10 ILE HD13 H 4.597 4.029 0.671 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD13 . . . . . . . . . rr_1jdk 1
. 1 . 141 . 1 1 10 ILE HG12 H 6.436 3.047 -0.592 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG12 . . . . . . . . . rr_1jdk 1
. 1 . 142 . 1 1 10 ILE HG13 H 5.187 3.518 -1.729 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG13 . . . . . . . . . rr_1jdk 1
. 1 . 143 . 1 1 10 ILE HG21 H 6.928 1.757 -3.054 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG21 . . . . . . . . . rr_1jdk 1
. 1 . 144 . 1 1 10 ILE HG22 H 7.597 1.179 -1.527 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG22 . . . . . . . . . rr_1jdk 1
. 1 . 145 . 1 1 10 ILE HG23 H 6.801 0.034 -2.618 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG23 . . . . . . . . . rr_1jdk 1
. 1 . 146 . 1 1 10 ILE N N 3.875 -0.467 -2.473 . . . 1.0 . . . . . . . . . . . . A . 10 ILE N . . . . . . . . . rr_1jdk 1
. 1 . 147 . 1 1 10 ILE O O 4.818 1.910 -4.434 . . . 1.0 . . . . . . . . . . . . A . 10 ILE O . . . . . . . . . rr_1jdk 1
. 1 . 148 . 1 1 11 . C C 2.603 4.415 -5.184 . . . 1.0 . . . . . . . . . . . . A . 11 DAB C . . . . . . . . . rr_1jdk 1
. 1 . 149 . 1 1 11 . CA C 2.291 2.880 -5.236 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CA . . . . . . . . . rr_1jdk 1
. 1 . 150 . 1 1 11 . CB C 0.858 2.465 -5.658 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CB . . . . . . . . . rr_1jdk 1
. 1 . 151 . 1 1 11 . CG C 0.273 3.092 -6.949 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CG . . . . . . . . . rr_1jdk 1
. 1 . 152 . 1 1 11 . H H 1.870 1.885 -3.326 . . . 1.0 . . . . . . . . . . . . A . 11 DAB H . . . . . . . . . rr_1jdk 1
. 1 . 153 . 1 1 11 . HA H 2.945 2.478 -6.037 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HA . . . . . . . . . rr_1jdk 1
. 1 . 154 . 1 1 11 . HB2 H 0.855 1.369 -5.807 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HB2 . . . . . . . . . rr_1jdk 1
. 1 . 155 . 1 1 11 . HB3 H 0.152 2.611 -4.821 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HB3 . . . . . . . . . rr_1jdk 1
. 1 . 156 . 1 1 11 . HD2 H -0.250 5.216 -6.638 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HD2 . . . . . . . . . rr_1jdk 1
. 1 . 157 . 1 1 11 . HG2 H 1.082 3.400 -7.638 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HG2 . . . . . . . . . rr_1jdk 1
. 1 . 158 . 1 1 11 . HG3 H -0.292 2.324 -7.512 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HG3 . . . . . . . . . rr_1jdk 1
. 1 . 159 . 1 1 11 . N N 2.619 2.156 -3.973 . . . 1.0 . . . . . . . . . . . . A . 11 DAB N . . . . . . . . . rr_1jdk 1
. 1 . 160 . 1 1 11 . ND N -0.601 4.253 -6.662 . . . 1.0 . . . . . . . . . . . . A . 11 DAB ND . . . . . . . . . rr_1jdk 1
. 1 . 161 . 1 1 11 . O O 3.067 4.937 -6.202 . . . 1.0 . . . . . . . . . . . . A . 11 DAB O . . . . . . . . . rr_1jdk 1
. 1 . 162 . 1 1 12 THR C C 4.233 6.883 -4.111 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_1jdk 1
. 1 . 163 . 1 1 12 THR CA C 2.700 6.604 -3.947 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_1jdk 1
. 1 . 164 . 1 1 12 THR CB C 2.143 7.272 -2.648 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_1jdk 1
. 1 . 165 . 1 1 12 THR CG2 C 0.616 7.397 -2.572 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_1jdk 1
. 1 . 166 . 1 1 12 THR H H 1.918 4.639 -3.294 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_1jdk 1
. 1 . 167 . 1 1 12 THR HA H 2.203 7.116 -4.795 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_1jdk 1
. 1 . 168 . 1 1 12 THR HB H 2.536 8.307 -2.601 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_1jdk 1
. 1 . 169 . 1 1 12 THR HG1 H 2.232 7.075 -0.734 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG1 . . . . . . . . . rr_1jdk 1
. 1 . 170 . 1 1 12 THR HG21 H 0.202 7.919 -3.454 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_1jdk 1
. 1 . 171 . 1 1 12 THR HG22 H 0.131 6.409 -2.508 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_1jdk 1
. 1 . 172 . 1 1 12 THR HG23 H 0.302 7.968 -1.678 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_1jdk 1
. 1 . 173 . 1 1 12 THR N N 2.373 5.145 -4.061 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_1jdk 1
. 1 . 174 . 1 1 12 THR O O 4.619 7.596 -5.042 . . . 1.0 . . . . . . . . . . . . A . 12 THR O . . . . . . . . . rr_1jdk 1
. 1 . 175 . 1 1 12 THR OG1 O 2.588 6.587 -1.480 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_1jdk 1
. 1 . 176 . 1 1 13 THR C C 7.167 5.138 -3.820 . . . 1.0 . . . . . . . . . . . . A . 13 THR C . . . . . . . . . rr_1jdk 1
. 1 . 177 . 1 1 13 THR CA C 6.566 6.478 -3.297 . . . 1.0 . . . . . . . . . . . . A . 13 THR CA . . . . . . . . . rr_1jdk 1
. 1 . 178 . 1 1 13 THR CB C 7.161 6.938 -1.929 . . . 1.0 . . . . . . . . . . . . A . 13 THR CB . . . . . . . . . rr_1jdk 1
. 1 . 179 . 1 1 13 THR CG2 C 6.739 8.352 -1.490 . . . 1.0 . . . . . . . . . . . . A . 13 THR CG2 . . . . . . . . . rr_1jdk 1
. 1 . 180 . 1 1 13 THR H H 4.629 5.775 -2.487 . . . 1.0 . . . . . . . . . . . . A . 13 THR H . . . . . . . . . rr_1jdk 1
. 1 . 181 . 1 1 13 THR HA H 6.839 7.272 -4.024 . . . 1.0 . . . . . . . . . . . . A . 13 THR HA . . . . . . . . . rr_1jdk 1
. 1 . 182 . 1 1 13 THR HB H 8.264 6.952 -2.025 . . . 1.0 . . . . . . . . . . . . A . 13 THR HB . . . . . . . . . rr_1jdk 1
. 1 . 183 . 1 1 13 THR HG1 H 7.134 5.164 -1.182 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG1 . . . . . . . . . rr_1jdk 1
. 1 . 184 . 1 1 13 THR HG21 H 7.232 8.640 -0.543 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG21 . . . . . . . . . rr_1jdk 1
. 1 . 185 . 1 1 13 THR HG22 H 7.010 9.112 -2.244 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG22 . . . . . . . . . rr_1jdk 1
. 1 . 186 . 1 1 13 THR HG23 H 5.648 8.422 -1.325 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG23 . . . . . . . . . rr_1jdk 1
. 1 . 187 . 1 1 13 THR N N 5.086 6.314 -3.231 . . . 1.0 . . . . . . . . . . . . A . 13 THR N . . . . . . . . . rr_1jdk 1
. 1 . 188 . 1 1 13 THR O O 7.654 4.309 -3.044 . . . 1.0 . . . . . . . . . . . . A . 13 THR O . . . . . . . . . rr_1jdk 1
. 1 . 189 . 1 1 13 THR OG1 O 6.828 6.025 -0.885 . . . 1.0 . . . . . . . . . . . . A . 13 THR OG1 . . . . . . . . . rr_1jdk 1
. 1 . 190 . 1 1 14 ALA C C 9.150 3.861 -6.150 . . . 1.0 . . . . . . . . . . . . A . 14 ALA C . . . . . . . . . rr_1jdk 1
. 1 . 191 . 1 1 14 ALA CA C 7.651 3.713 -5.805 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CA . . . . . . . . . rr_1jdk 1
. 1 . 192 . 1 1 14 ALA CB C 6.768 3.415 -7.033 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CB . . . . . . . . . rr_1jdk 1
. 1 . 193 . 1 1 14 ALA H H 6.671 5.685 -5.688 . . . 1.0 . . . . . . . . . . . . A . 14 ALA H . . . . . . . . . rr_1jdk 1
. 1 . 194 . 1 1 14 ALA HXT H 9.439 3.241 -4.329 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HXT . . . . . . . . . rr_1jdk 1
. 1 . 195 . 1 1 14 ALA HA H 7.534 2.845 -5.127 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HA . . . . . . . . . rr_1jdk 1
. 1 . 196 . 1 1 14 ALA HB1 H 5.706 3.275 -6.752 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB1 . . . . . . . . . rr_1jdk 1
. 1 . 197 . 1 1 14 ALA HB2 H 6.805 4.225 -7.786 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB2 . . . . . . . . . rr_1jdk 1
. 1 . 198 . 1 1 14 ALA HB3 H 7.086 2.485 -7.541 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB3 . . . . . . . . . rr_1jdk 1
. 1 . 199 . 1 1 14 ALA N N 7.134 4.941 -5.154 . . . 1.0 . . . . . . . . . . . . A . 14 ALA N . . . . . . . . . rr_1jdk 1
. 1 . 200 . 1 1 14 ALA O O 9.578 4.270 -7.230 . . . 1.0 . . . . . . . . . . . . A . 14 ALA O . . . . . . . . . rr_1jdk 1
. 1 . 201 . 1 1 14 ALA OXT O 9.953 3.495 -5.099 . . . 1.0 . . . . . . . . . . . . A . 14 ALA OXT . . . . . . . . . rr_1jdk 1
. 2 . 202 . 1 1 1 ACE C C -11.025 4.552 -8.447 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . rr_1jdk 1
. 2 . 203 . 1 1 1 ACE CH3 C -11.753 4.686 -9.781 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . rr_1jdk 1
. 2 . 204 . 1 1 1 ACE H1 H -12.849 4.659 -9.640 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . rr_1jdk 1
. 2 . 205 . 1 1 1 ACE H2 H -11.510 5.642 -10.281 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . rr_1jdk 1
. 2 . 206 . 1 1 1 ACE H3 H -11.490 3.863 -10.470 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . rr_1jdk 1
. 2 . 207 . 1 1 1 ACE O O -11.660 4.421 -7.399 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . rr_1jdk 1
. 2 . 208 . 1 1 2 ILE C C -7.520 5.309 -7.581 . . . 1.0 . . . . . . . . . . . . A . 2 ILE C . . . . . . . . . rr_1jdk 1
. 2 . 209 . 1 1 2 ILE CA C -8.808 4.463 -7.318 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CA . . . . . . . . . rr_1jdk 1
. 2 . 210 . 1 1 2 ILE CB C -8.593 2.957 -6.886 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CB . . . . . . . . . rr_1jdk 1
. 2 . 211 . 1 1 2 ILE CD1 C -9.333 2.965 -4.403 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CD1 . . . . . . . . . rr_1jdk 1
. 2 . 212 . 1 1 2 ILE CG1 C -8.172 2.803 -5.397 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG1 . . . . . . . . . rr_1jdk 1
. 2 . 213 . 1 1 2 ILE CG2 C -7.657 2.104 -7.782 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG2 . . . . . . . . . rr_1jdk 1
. 2 . 214 . 1 1 2 ILE H H -9.315 4.741 -9.455 . . . 1.0 . . . . . . . . . . . . A . 2 ILE H . . . . . . . . . rr_1jdk 1
. 2 . 215 . 1 1 2 ILE HA H -9.346 4.948 -6.478 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HA . . . . . . . . . rr_1jdk 1
. 2 . 216 . 1 1 2 ILE HB H -9.578 2.456 -6.973 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HB . . . . . . . . . rr_1jdk 1
. 2 . 217 . 1 1 2 ILE HD11 H -10.135 2.226 -4.597 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD11 . . . . . . . . . rr_1jdk 1
. 2 . 218 . 1 1 2 ILE HD12 H -8.993 2.811 -3.364 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD12 . . . . . . . . . rr_1jdk 1
. 2 . 219 . 1 1 2 ILE HD13 H -9.793 3.968 -4.456 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD13 . . . . . . . . . rr_1jdk 1
. 2 . 220 . 1 1 2 ILE HG12 H -7.739 1.800 -5.217 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG12 . . . . . . . . . rr_1jdk 1
. 2 . 221 . 1 1 2 ILE HG13 H -7.359 3.512 -5.149 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG13 . . . . . . . . . rr_1jdk 1
. 2 . 222 . 1 1 2 ILE HG21 H -6.594 2.394 -7.679 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG21 . . . . . . . . . rr_1jdk 1
. 2 . 223 . 1 1 2 ILE HG22 H -7.715 1.030 -7.523 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG22 . . . . . . . . . rr_1jdk 1
. 2 . 224 . 1 1 2 ILE HG23 H -7.921 2.186 -8.852 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG23 . . . . . . . . . rr_1jdk 1
. 2 . 225 . 1 1 2 ILE N N -9.687 4.576 -8.516 . . . 1.0 . . . . . . . . . . . . A . 2 ILE N . . . . . . . . . rr_1jdk 1
. 2 . 226 . 1 1 2 ILE O O -6.614 4.864 -8.295 . . . 1.0 . . . . . . . . . . . . A . 2 ILE O . . . . . . . . . rr_1jdk 1
. 2 . 227 . 1 1 3 TRP C C -6.020 8.162 -5.862 . . . 1.0 . . . . . . . . . . . . A . 3 TRP C . . . . . . . . . rr_1jdk 1
. 2 . 228 . 1 1 3 TRP CA C -6.265 7.433 -7.213 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CA . . . . . . . . . rr_1jdk 1
. 2 . 229 . 1 1 3 TRP CB C -6.425 8.402 -8.417 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CB . . . . . . . . . rr_1jdk 1
. 2 . 230 . 1 1 3 TRP CD1 C -4.565 10.263 -8.539 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD1 . . . . . . . . . rr_1jdk 1
. 2 . 231 . 1 1 3 TRP CD2 C -4.170 8.440 -9.757 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD2 . . . . . . . . . rr_1jdk 1
. 2 . 232 . 1 1 3 TRP CE2 C -3.080 9.338 -9.878 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE2 . . . . . . . . . rr_1jdk 1
. 2 . 233 . 1 1 3 TRP CE3 C -4.151 7.191 -10.430 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE3 . . . . . . . . . rr_1jdk 1
. 2 . 234 . 1 1 3 TRP CG C -5.103 9.010 -8.905 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CG . . . . . . . . . rr_1jdk 1
. 2 . 235 . 1 1 3 TRP CH2 C -1.955 7.753 -11.320 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CH2 . . . . . . . . . rr_1jdk 1
. 2 . 236 . 1 1 3 TRP CZ2 C -1.960 8.989 -10.669 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ2 . . . . . . . . . rr_1jdk 1
. 2 . 237 . 1 1 3 TRP CZ3 C -3.035 6.869 -11.202 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ3 . . . . . . . . . rr_1jdk 1
. 2 . 238 . 1 1 3 TRP H H -8.263 6.846 -6.490 . . . 1.0 . . . . . . . . . . . . A . 3 TRP H . . . . . . . . . rr_1jdk 1
. 2 . 239 . 1 1 3 TRP HA H -5.388 6.799 -7.452 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HA . . . . . . . . . rr_1jdk 1
. 2 . 240 . 1 1 3 TRP HB2 H -6.872 7.860 -9.270 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB2 . . . . . . . . . rr_1jdk 1
. 2 . 241 . 1 1 3 TRP HB3 H -7.144 9.207 -8.177 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB3 . . . . . . . . . rr_1jdk 1
. 2 . 242 . 1 1 3 TRP HD1 H -5.049 10.969 -7.880 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HD1 . . . . . . . . . rr_1jdk 1
. 2 . 243 . 1 1 3 TRP HE1 H -2.695 11.301 -9.039 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE1 . . . . . . . . . rr_1jdk 1
. 2 . 244 . 1 1 3 TRP HE3 H -4.972 6.494 -10.335 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE3 . . . . . . . . . rr_1jdk 1
. 2 . 245 . 1 1 3 TRP HH2 H -1.104 7.475 -11.925 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HH2 . . . . . . . . . rr_1jdk 1
. 2 . 246 . 1 1 3 TRP HZ2 H -1.121 9.661 -10.772 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ2 . . . . . . . . . rr_1jdk 1
. 2 . 247 . 1 1 3 TRP HZ3 H -3.001 5.919 -11.716 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ3 . . . . . . . . . rr_1jdk 1
. 2 . 248 . 1 1 3 TRP N N -7.450 6.547 -7.041 . . . 1.0 . . . . . . . . . . . . A . 3 TRP N . . . . . . . . . rr_1jdk 1
. 2 . 249 . 1 1 3 TRP NE1 N -3.309 10.485 -9.136 . . . 1.0 . . . . . . . . . . . . A . 3 TRP NE1 . . . . . . . . . rr_1jdk 1
. 2 . 250 . 1 1 3 TRP O O -6.699 9.140 -5.530 . . . 1.0 . . . . . . . . . . . . A . 3 TRP O . . . . . . . . . rr_1jdk 1
. 2 . 251 . 1 1 4 GLY C C -3.692 7.328 -3.031 . . . 1.0 . . . . . . . . . . . . A . 4 GLY C . . . . . . . . . rr_1jdk 1
. 2 . 252 . 1 1 4 GLY CA C -4.692 8.229 -3.773 . . . 1.0 . . . . . . . . . . . . A . 4 GLY CA . . . . . . . . . rr_1jdk 1
. 2 . 253 . 1 1 4 GLY H H -4.553 6.859 -5.499 . . . 1.0 . . . . . . . . . . . . A . 4 GLY H . . . . . . . . . rr_1jdk 1
. 2 . 254 . 1 1 4 GLY HA2 H -4.245 9.231 -3.915 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA2 . . . . . . . . . rr_1jdk 1
. 2 . 255 . 1 1 4 GLY HA3 H -5.598 8.389 -3.155 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA3 . . . . . . . . . rr_1jdk 1
. 2 . 256 . 1 1 4 GLY N N -5.049 7.657 -5.091 . . . 1.0 . . . . . . . . . . . . A . 4 GLY N . . . . . . . . . rr_1jdk 1
. 2 . 257 . 1 1 4 GLY O O -2.496 7.628 -2.995 . . . 1.0 . . . . . . . . . . . . A . 4 GLY O . . . . . . . . . rr_1jdk 1
. 2 . 258 . 1 1 5 GLU C C -3.782 3.841 -2.173 . . . 1.0 . . . . . . . . . . . . A . 5 GLU C . . . . . . . . . rr_1jdk 1
. 2 . 259 . 1 1 5 GLU CA C -3.367 5.258 -1.684 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CA . . . . . . . . . rr_1jdk 1
. 2 . 260 . 1 1 5 GLU CB C -3.546 5.466 -0.147 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CB . . . . . . . . . rr_1jdk 1
. 2 . 261 . 1 1 5 GLU CD C -2.174 3.394 0.722 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CD . . . . . . . . . rr_1jdk 1
. 2 . 262 . 1 1 5 GLU CG C -2.428 4.916 0.775 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CG . . . . . . . . . rr_1jdk 1
. 2 . 263 . 1 1 5 GLU H H -5.205 6.094 -2.584 . . . 1.0 . . . . . . . . . . . . A . 5 GLU H . . . . . . . . . rr_1jdk 1
. 2 . 264 . 1 1 5 GLU HA H -2.293 5.420 -1.911 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HA . . . . . . . . . rr_1jdk 1
. 2 . 265 . 1 1 5 GLU HB2 H -3.607 6.549 0.070 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB2 . . . . . . . . . rr_1jdk 1
. 2 . 266 . 1 1 5 GLU HB3 H -4.525 5.069 0.186 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB3 . . . . . . . . . rr_1jdk 1
. 2 . 267 . 1 1 5 GLU HG2 H -1.498 5.488 0.596 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG2 . . . . . . . . . rr_1jdk 1
. 2 . 268 . 1 1 5 GLU HG3 H -2.700 5.172 1.818 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG3 . . . . . . . . . rr_1jdk 1
. 2 . 269 . 1 1 5 GLU N N -4.200 6.236 -2.432 . . . 1.0 . . . . . . . . . . . . A . 5 GLU N . . . . . . . . . rr_1jdk 1
. 2 . 270 . 1 1 5 GLU O O -4.805 3.301 -1.738 . . . 1.0 . . . . . . . . . . . . A . 5 GLU O . . . . . . . . . rr_1jdk 1
. 2 . 271 . 1 1 5 GLU OE1 O -2.983 2.619 1.238 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE1 . . . . . . . . . rr_1jdk 1
. 2 . 272 . 1 1 6 SER C C -1.924 1.180 -4.063 . . . 1.0 . . . . . . . . . . . . A . 6 SER C . . . . . . . . . rr_1jdk 1
. 2 . 273 . 1 1 6 SER CA C -3.259 1.888 -3.641 . . . 1.0 . . . . . . . . . . . . A . 6 SER CA . . . . . . . . . rr_1jdk 1
. 2 . 274 . 1 1 6 SER CB C -4.325 1.916 -4.770 . . . 1.0 . . . . . . . . . . . . A . 6 SER CB . . . . . . . . . rr_1jdk 1
. 2 . 275 . 1 1 6 SER H H -2.166 3.792 -3.370 . . . 1.0 . . . . . . . . . . . . A . 6 SER H . . . . . . . . . rr_1jdk 1
. 2 . 276 . 1 1 6 SER HA H -3.695 1.311 -2.798 . . . 1.0 . . . . . . . . . . . . A . 6 SER HA . . . . . . . . . rr_1jdk 1
. 2 . 277 . 1 1 6 SER HB2 H -4.582 0.884 -5.081 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB2 . . . . . . . . . rr_1jdk 1
. 2 . 278 . 1 1 6 SER HB3 H -5.271 2.346 -4.393 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB3 . . . . . . . . . rr_1jdk 1
. 2 . 279 . 1 1 6 SER HG H -4.622 2.622 -6.541 . . . 1.0 . . . . . . . . . . . . A . 6 SER HG . . . . . . . . . rr_1jdk 1
. 2 . 280 . 1 1 6 SER N N -2.995 3.253 -3.095 . . . 1.0 . . . . . . . . . . . . A . 6 SER N . . . . . . . . . rr_1jdk 1
. 2 . 281 . 1 1 6 SER O O -0.899 1.845 -4.264 . . . 1.0 . . . . . . . . . . . . A . 6 SER O . . . . . . . . . rr_1jdk 1
. 2 . 282 . 1 1 6 SER OG O -3.897 2.654 -5.911 . . . 1.0 . . . . . . . . . . . . A . 6 SER OG . . . . . . . . . rr_1jdk 1
. 2 . 283 . 1 1 7 GLY C C -0.281 -1.838 -3.406 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . rr_1jdk 1
. 2 . 284 . 1 1 7 GLY CA C -0.711 -0.935 -4.582 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . rr_1jdk 1
. 2 . 285 . 1 1 7 GLY H H -2.838 -0.637 -4.263 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . rr_1jdk 1
. 2 . 286 . 1 1 7 GLY HA2 H -0.919 -1.518 -5.498 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . rr_1jdk 1
. 2 . 287 . 1 1 7 GLY HA3 H 0.138 -0.277 -4.855 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . rr_1jdk 1
. 2 . 288 . 1 1 7 GLY N N -1.927 -0.167 -4.215 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . rr_1jdk 1
. 2 . 289 . 1 1 7 GLY O O 0.139 -1.318 -2.367 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . rr_1jdk 1
. 2 . 290 . 1 1 8 LYS C C 1.477 -4.060 -1.944 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . rr_1jdk 1
. 2 . 291 . 1 1 8 LYS CA C 0.017 -4.153 -2.497 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . rr_1jdk 1
. 2 . 292 . 1 1 8 LYS CB C -0.423 -5.595 -2.880 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . rr_1jdk 1
. 2 . 293 . 1 1 8 LYS CD C -0.309 -7.631 -4.524 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . rr_1jdk 1
. 2 . 294 . 1 1 8 LYS CE C 0.046 -8.847 -3.641 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . rr_1jdk 1
. 2 . 295 . 1 1 8 LYS CG C 0.271 -6.265 -4.094 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . rr_1jdk 1
. 2 . 296 . 1 1 8 LYS H H -0.768 -3.500 -4.451 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . rr_1jdk 1
. 2 . 297 . 1 1 8 LYS HA H -0.626 -3.896 -1.631 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . rr_1jdk 1
. 2 . 298 . 1 1 8 LYS HB2 H -0.287 -6.239 -1.991 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . rr_1jdk 1
. 2 . 299 . 1 1 8 LYS HB3 H -1.517 -5.595 -3.052 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . rr_1jdk 1
. 2 . 300 . 1 1 8 LYS HD2 H -1.404 -7.559 -4.674 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . rr_1jdk 1
. 2 . 301 . 1 1 8 LYS HD3 H 0.088 -7.843 -5.534 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . rr_1jdk 1
. 2 . 302 . 1 1 8 LYS HE2 H -0.097 -9.773 -4.229 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . rr_1jdk 1
. 2 . 303 . 1 1 8 LYS HE3 H 1.118 -8.833 -3.370 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . rr_1jdk 1
. 2 . 304 . 1 1 8 LYS HG2 H 0.201 -5.581 -4.960 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . rr_1jdk 1
. 2 . 305 . 1 1 8 LYS HG3 H 1.354 -6.372 -3.902 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . rr_1jdk 1
. 2 . 306 . 1 1 8 LYS HZ1 H -1.772 -8.980 -2.665 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . rr_1jdk 1
. 2 . 307 . 1 1 8 LYS HZ2 H -0.661 -8.106 -1.845 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . rr_1jdk 1
. 2 . 308 . 1 1 8 LYS N N -0.361 -3.177 -3.566 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . rr_1jdk 1
. 2 . 309 . 1 1 8 LYS NZ N -0.776 -8.948 -2.420 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . rr_1jdk 1
. 2 . 310 . 1 1 8 LYS O O 1.653 -4.005 -0.723 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . rr_1jdk 1
. 2 . 311 . 1 1 9 LEU C C 4.274 -2.408 -2.150 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . rr_1jdk 1
. 2 . 312 . 1 1 9 LEU CA C 3.928 -3.911 -2.405 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . rr_1jdk 1
. 2 . 313 . 1 1 9 LEU CB C 4.827 -4.642 -3.448 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . rr_1jdk 1
. 2 . 314 . 1 1 9 LEU CD1 C 6.695 -5.531 -1.898 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . rr_1jdk 1
. 2 . 315 . 1 1 9 LEU CD2 C 7.124 -5.239 -4.365 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . rr_1jdk 1
. 2 . 316 . 1 1 9 LEU CG C 6.352 -4.695 -3.148 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . rr_1jdk 1
. 2 . 317 . 1 1 9 LEU H H 2.222 -4.077 -3.806 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . rr_1jdk 1
. 2 . 318 . 1 1 9 LEU HA H 4.061 -4.446 -1.444 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . rr_1jdk 1
. 2 . 319 . 1 1 9 LEU HB2 H 4.460 -5.679 -3.582 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . rr_1jdk 1
. 2 . 320 . 1 1 9 LEU HB3 H 4.676 -4.165 -4.436 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . rr_1jdk 1
. 2 . 321 . 1 1 9 LEU HD11 H 7.784 -5.564 -1.714 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . rr_1jdk 1
. 2 . 322 . 1 1 9 LEU HD12 H 6.236 -5.111 -0.984 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . rr_1jdk 1
. 2 . 323 . 1 1 9 LEU HD13 H 6.346 -6.577 -1.989 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . rr_1jdk 1
. 2 . 324 . 1 1 9 LEU HD21 H 6.830 -6.276 -4.616 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . rr_1jdk 1
. 2 . 325 . 1 1 9 LEU HD22 H 6.949 -4.623 -5.267 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . rr_1jdk 1
. 2 . 326 . 1 1 9 LEU HD23 H 8.215 -5.241 -4.191 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . rr_1jdk 1
. 2 . 327 . 1 1 9 LEU HG H 6.711 -3.663 -2.973 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . rr_1jdk 1
. 2 . 328 . 1 1 9 LEU N N 2.502 -4.036 -2.821 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . rr_1jdk 1
. 2 . 329 . 1 1 9 LEU O O 4.548 -2.037 -1.006 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . rr_1jdk 1
. 2 . 330 . 1 1 10 ILE C C 3.151 0.641 -3.065 . . . 1.0 . . . . . . . . . . . . A . 10 ILE C . . . . . . . . . rr_1jdk 1
. 2 . 331 . 1 1 10 ILE CA C 4.530 -0.104 -3.105 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CA . . . . . . . . . rr_1jdk 1
. 2 . 332 . 1 1 10 ILE CB C 5.579 0.400 -4.171 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CB . . . . . . . . . rr_1jdk 1
. 2 . 333 . 1 1 10 ILE CD1 C 4.303 0.480 -6.480 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CD1 . . . . . . . . . rr_1jdk 1
. 2 . 334 . 1 1 10 ILE CG1 C 5.468 -0.079 -5.654 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CG1 . . . . . . . . . rr_1jdk 1
. 2 . 335 . 1 1 10 ILE CG2 C 7.022 0.089 -3.692 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CG2 . . . . . . . . . rr_1jdk 1
. 2 . 336 . 1 1 10 ILE H H 4.011 -2.018 -4.090 . . . 1.0 . . . . . . . . . . . . A . 10 ILE H . . . . . . . . . rr_1jdk 1
. 2 . 337 . 1 1 10 ILE HA H 5.011 0.099 -2.126 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HA . . . . . . . . . rr_1jdk 1
. 2 . 338 . 1 1 10 ILE HB H 5.514 1.504 -4.191 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HB . . . . . . . . . rr_1jdk 1
. 2 . 339 . 1 1 10 ILE HD11 H 4.457 0.287 -7.558 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD11 . . . . . . . . . rr_1jdk 1
. 2 . 340 . 1 1 10 ILE HD12 H 3.343 0.009 -6.209 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD12 . . . . . . . . . rr_1jdk 1
. 2 . 341 . 1 1 10 ILE HD13 H 4.198 1.575 -6.356 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD13 . . . . . . . . . rr_1jdk 1
. 2 . 342 . 1 1 10 ILE HG12 H 6.386 0.215 -6.199 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG12 . . . . . . . . . rr_1jdk 1
. 2 . 343 . 1 1 10 ILE HG13 H 5.457 -1.183 -5.707 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG13 . . . . . . . . . rr_1jdk 1
. 2 . 344 . 1 1 10 ILE HG21 H 7.788 0.529 -4.358 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG21 . . . . . . . . . rr_1jdk 1
. 2 . 345 . 1 1 10 ILE HG22 H 7.224 0.497 -2.684 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG22 . . . . . . . . . rr_1jdk 1
. 2 . 346 . 1 1 10 ILE HG23 H 7.220 -0.999 -3.648 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG23 . . . . . . . . . rr_1jdk 1
. 2 . 347 . 1 1 10 ILE N N 4.250 -1.564 -3.204 . . . 1.0 . . . . . . . . . . . . A . 10 ILE N . . . . . . . . . rr_1jdk 1
. 2 . 348 . 1 1 10 ILE O O 2.476 0.818 -4.081 . . . 1.0 . . . . . . . . . . . . A . 10 ILE O . . . . . . . . . rr_1jdk 1
. 2 . 349 . 1 1 11 . C C 1.643 3.304 -1.732 . . . 1.0 . . . . . . . . . . . . A . 11 DAB C . . . . . . . . . rr_1jdk 1
. 2 . 350 . 1 1 11 . CA C 1.438 1.764 -1.618 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CA . . . . . . . . . rr_1jdk 1
. 2 . 351 . 1 1 11 . CB C 0.821 1.307 -0.261 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CB . . . . . . . . . rr_1jdk 1
. 2 . 352 . 1 1 11 . CG C -0.695 1.564 -0.058 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CG . . . . . . . . . rr_1jdk 1
. 2 . 353 . 1 1 11 . H H 3.419 0.892 -1.118 . . . 1.0 . . . . . . . . . . . . A . 11 DAB H . . . . . . . . . rr_1jdk 1
. 2 . 354 . 1 1 11 . HA H 0.715 1.432 -2.388 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HA . . . . . . . . . rr_1jdk 1
. 2 . 355 . 1 1 11 . HB2 H 0.955 0.211 -0.164 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HB2 . . . . . . . . . rr_1jdk 1
. 2 . 356 . 1 1 11 . HB3 H 1.393 1.726 0.589 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HB3 . . . . . . . . . rr_1jdk 1
. 2 . 357 . 1 1 11 . HD2 H -0.477 3.749 -0.282 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HD2 . . . . . . . . . rr_1jdk 1
. 2 . 358 . 1 1 11 . HG2 H -1.265 1.136 -0.905 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HG2 . . . . . . . . . rr_1jdk 1
. 2 . 359 . 1 1 11 . HG3 H -1.021 0.988 0.831 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HG3 . . . . . . . . . rr_1jdk 1
. 2 . 360 . 1 1 11 . N N 2.730 1.055 -1.852 . . . 1.0 . . . . . . . . . . . . A . 11 DAB N . . . . . . . . . rr_1jdk 1
. 2 . 361 . 1 1 11 . ND N -1.052 2.992 0.103 . . . 1.0 . . . . . . . . . . . . A . 11 DAB ND . . . . . . . . . rr_1jdk 1
. 2 . 362 . 1 1 11 . O O 1.894 4.009 -0.750 . . . 1.0 . . . . . . . . . . . . A . 11 DAB O . . . . . . . . . rr_1jdk 1
. 2 . 363 . 1 1 12 THR C C 1.065 5.403 -4.750 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_1jdk 1
. 2 . 364 . 1 1 12 THR CA C 1.683 5.226 -3.333 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_1jdk 1
. 2 . 365 . 1 1 12 THR CB C 3.148 5.758 -3.201 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_1jdk 1
. 2 . 366 . 1 1 12 THR CG2 C 4.236 5.065 -4.045 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_1jdk 1
. 2 . 367 . 1 1 12 THR H H 1.350 3.055 -3.664 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_1jdk 1
. 2 . 368 . 1 1 12 THR HA H 1.079 5.811 -2.608 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_1jdk 1
. 2 . 369 . 1 1 12 THR HB H 3.449 5.654 -2.142 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_1jdk 1
. 2 . 370 . 1 1 12 THR HG1 H 4.091 7.422 -3.415 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG1 . . . . . . . . . rr_1jdk 1
. 2 . 371 . 1 1 12 THR HG21 H 5.239 5.470 -3.821 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_1jdk 1
. 2 . 372 . 1 1 12 THR HG22 H 4.275 3.978 -3.846 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_1jdk 1
. 2 . 373 . 1 1 12 THR HG23 H 4.068 5.197 -5.130 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_1jdk 1
. 2 . 374 . 1 1 12 THR N N 1.528 3.790 -2.973 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_1jdk 1
. 2 . 375 . 1 1 12 THR O O 1.563 4.830 -5.727 . . . 1.0 . . . . . . . . . . . . A . 12 THR O . . . . . . . . . rr_1jdk 1
. 2 . 376 . 1 1 12 THR OG1 O 3.174 7.149 -3.507 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_1jdk 1
. 2 . 377 . 1 1 13 THR C C -1.027 7.962 -6.245 . . . 1.0 . . . . . . . . . . . . A . 13 THR C . . . . . . . . . rr_1jdk 1
. 2 . 378 . 1 1 13 THR CA C -0.714 6.438 -6.156 . . . 1.0 . . . . . . . . . . . . A . 13 THR CA . . . . . . . . . rr_1jdk 1
. 2 . 379 . 1 1 13 THR CB C -1.955 5.496 -6.270 . . . 1.0 . . . . . . . . . . . . A . 13 THR CB . . . . . . . . . rr_1jdk 1
. 2 . 380 . 1 1 13 THR CG2 C -2.711 5.613 -7.601 . . . 1.0 . . . . . . . . . . . . A . 13 THR CG2 . . . . . . . . . rr_1jdk 1
. 2 . 381 . 1 1 13 THR H H -0.348 6.610 -3.979 . . . 1.0 . . . . . . . . . . . . A . 13 THR H . . . . . . . . . rr_1jdk 1
. 2 . 382 . 1 1 13 THR HA H -0.047 6.180 -7.004 . . . 1.0 . . . . . . . . . . . . A . 13 THR HA . . . . . . . . . rr_1jdk 1
. 2 . 383 . 1 1 13 THR HB H -2.661 5.716 -5.446 . . . 1.0 . . . . . . . . . . . . A . 13 THR HB . . . . . . . . . rr_1jdk 1
. 2 . 384 . 1 1 13 THR HG1 H -2.362 3.614 -6.130 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG1 . . . . . . . . . rr_1jdk 1
. 2 . 385 . 1 1 13 THR HG21 H -3.590 4.944 -7.632 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG21 . . . . . . . . . rr_1jdk 1
. 2 . 386 . 1 1 13 THR HG22 H -3.081 6.640 -7.762 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG22 . . . . . . . . . rr_1jdk 1
. 2 . 387 . 1 1 13 THR HG23 H -2.069 5.357 -8.464 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG23 . . . . . . . . . rr_1jdk 1
. 2 . 388 . 1 1 13 THR N N -0.021 6.192 -4.857 . . . 1.0 . . . . . . . . . . . . A . 13 THR N . . . . . . . . . rr_1jdk 1
. 2 . 389 . 1 1 13 THR O O -2.109 8.414 -5.862 . . . 1.0 . . . . . . . . . . . . A . 13 THR O . . . . . . . . . rr_1jdk 1
. 2 . 390 . 1 1 13 THR OG1 O -1.553 4.134 -6.159 . . . 1.0 . . . . . . . . . . . . A . 13 THR OG1 . . . . . . . . . rr_1jdk 1
. 2 . 391 . 1 1 14 ALA C C 0.547 10.739 -8.139 . . . 1.0 . . . . . . . . . . . . A . 14 ALA C . . . . . . . . . rr_1jdk 1
. 2 . 392 . 1 1 14 ALA CA C -0.209 10.223 -6.897 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CA . . . . . . . . . rr_1jdk 1
. 2 . 393 . 1 1 14 ALA CB C 0.249 10.936 -5.608 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CB . . . . . . . . . rr_1jdk 1
. 2 . 394 . 1 1 14 ALA H H 0.791 8.254 -7.039 . . . 1.0 . . . . . . . . . . . . A . 14 ALA H . . . . . . . . . rr_1jdk 1
. 2 . 395 . 1 1 14 ALA HXT H 2.150 10.032 -7.290 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HXT . . . . . . . . . rr_1jdk 1
. 2 . 396 . 1 1 14 ALA HA H -1.276 10.477 -7.052 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HA . . . . . . . . . rr_1jdk 1
. 2 . 397 . 1 1 14 ALA HB1 H 0.128 12.033 -5.684 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB1 . . . . . . . . . rr_1jdk 1
. 2 . 398 . 1 1 14 ALA HB2 H -0.346 10.613 -4.733 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB2 . . . . . . . . . rr_1jdk 1
. 2 . 399 . 1 1 14 ALA HB3 H 1.312 10.738 -5.369 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB3 . . . . . . . . . rr_1jdk 1
. 2 . 400 . 1 1 14 ALA N N -0.061 8.751 -6.759 . . . 1.0 . . . . . . . . . . . . A . 14 ALA N . . . . . . . . . rr_1jdk 1
. 2 . 401 . 1 1 14 ALA O O -0.012 11.331 -9.061 . . . 1.0 . . . . . . . . . . . . A . 14 ALA O . . . . . . . . . rr_1jdk 1
. 2 . 402 . 1 1 14 ALA OXT O 1.898 10.487 -8.096 . . . 1.0 . . . . . . . . . . . . A . 14 ALA OXT . . . . . . . . . rr_1jdk 1
. 3 . 403 . 1 1 1 ACE C C -15.142 3.833 -2.928 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . rr_1jdk 1
. 3 . 404 . 1 1 1 ACE CH3 C -16.085 2.824 -3.576 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . rr_1jdk 1
. 3 . 405 . 1 1 1 ACE H1 H -17.027 3.308 -3.893 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . rr_1jdk 1
. 3 . 406 . 1 1 1 ACE H2 H -15.633 2.366 -4.476 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . rr_1jdk 1
. 3 . 407 . 1 1 1 ACE H3 H -16.353 2.011 -2.876 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . rr_1jdk 1
. 3 . 408 . 1 1 1 ACE O O -15.475 5.013 -2.806 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . rr_1jdk 1
. 3 . 409 . 1 1 2 ILE C C -11.522 3.599 -2.262 . . . 1.0 . . . . . . . . . . . . A . 2 ILE C . . . . . . . . . rr_1jdk 1
. 3 . 410 . 1 1 2 ILE CA C -12.921 4.171 -1.855 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CA . . . . . . . . . rr_1jdk 1
. 3 . 411 . 1 1 2 ILE CB C -13.198 4.357 -0.310 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CB . . . . . . . . . rr_1jdk 1
. 3 . 412 . 1 1 2 ILE CD1 C -13.187 6.937 -0.054 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CD1 . . . . . . . . . rr_1jdk 1
. 3 . 413 . 1 1 2 ILE CG1 C -12.496 5.607 0.294 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG1 . . . . . . . . . rr_1jdk 1
. 3 . 414 . 1 1 2 ILE CG2 C -12.931 3.126 0.595 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG2 . . . . . . . . . rr_1jdk 1
. 3 . 415 . 1 1 2 ILE H H -13.831 2.346 -2.724 . . . 1.0 . . . . . . . . . . . . A . 2 ILE H . . . . . . . . . rr_1jdk 1
. 3 . 416 . 1 1 2 ILE HA H -12.991 5.184 -2.303 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HA . . . . . . . . . rr_1jdk 1
. 3 . 417 . 1 1 2 ILE HB H -14.285 4.541 -0.199 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HB . . . . . . . . . rr_1jdk 1
. 3 . 418 . 1 1 2 ILE HD11 H -13.195 7.133 -1.140 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD11 . . . . . . . . . rr_1jdk 1
. 3 . 419 . 1 1 2 ILE HD12 H -14.239 6.944 0.290 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD12 . . . . . . . . . rr_1jdk 1
. 3 . 420 . 1 1 2 ILE HD13 H -12.680 7.788 0.433 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD13 . . . . . . . . . rr_1jdk 1
. 3 . 421 . 1 1 2 ILE HG12 H -12.473 5.542 1.399 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG12 . . . . . . . . . rr_1jdk 1
. 3 . 422 . 1 1 2 ILE HG13 H -11.434 5.640 -0.012 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG13 . . . . . . . . . rr_1jdk 1
. 3 . 423 . 1 1 2 ILE HG21 H -13.412 2.211 0.204 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG21 . . . . . . . . . rr_1jdk 1
. 3 . 424 . 1 1 2 ILE HG22 H -11.852 2.911 0.710 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG22 . . . . . . . . . rr_1jdk 1
. 3 . 425 . 1 1 2 ILE HG23 H -13.328 3.279 1.617 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG23 . . . . . . . . . rr_1jdk 1
. 3 . 426 . 1 1 2 ILE N N -13.969 3.337 -2.509 . . . 1.0 . . . . . . . . . . . . A . 2 ILE N . . . . . . . . . rr_1jdk 1
. 3 . 427 . 1 1 2 ILE O O -11.066 2.598 -1.699 . . . 1.0 . . . . . . . . . . . . A . 2 ILE O . . . . . . . . . rr_1jdk 1
. 3 . 428 . 1 1 3 TRP C C -8.762 4.992 -4.306 . . . 1.0 . . . . . . . . . . . . A . 3 TRP C . . . . . . . . . rr_1jdk 1
. 3 . 429 . 1 1 3 TRP CA C -9.516 3.755 -3.736 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CA . . . . . . . . . rr_1jdk 1
. 3 . 430 . 1 1 3 TRP CB C -9.643 2.604 -4.774 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CB . . . . . . . . . rr_1jdk 1
. 3 . 431 . 1 1 3 TRP CD1 C -7.528 2.196 -6.275 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD1 . . . . . . . . . rr_1jdk 1
. 3 . 432 . 1 1 3 TRP CD2 C -7.700 0.849 -4.509 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD2 . . . . . . . . . rr_1jdk 1
. 3 . 433 . 1 1 3 TRP CE2 C -6.544 0.510 -5.256 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE2 . . . . . . . . . rr_1jdk 1
. 3 . 434 . 1 1 3 TRP CE3 C -8.044 0.112 -3.345 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE3 . . . . . . . . . rr_1jdk 1
. 3 . 435 . 1 1 3 TRP CG C -8.326 1.908 -5.145 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CG . . . . . . . . . rr_1jdk 1
. 3 . 436 . 1 1 3 TRP CH2 C -6.084 -1.290 -3.707 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CH2 . . . . . . . . . rr_1jdk 1
. 3 . 437 . 1 1 3 TRP CZ2 C -5.734 -0.578 -4.856 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ2 . . . . . . . . . rr_1jdk 1
. 3 . 438 . 1 1 3 TRP CZ3 C -7.222 -0.949 -2.963 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ3 . . . . . . . . . rr_1jdk 1
. 3 . 439 . 1 1 3 TRP H H -11.335 4.992 -3.723 . . . 1.0 . . . . . . . . . . . . A . 3 TRP H . . . . . . . . . rr_1jdk 1
. 3 . 440 . 1 1 3 TRP HA H -8.961 3.336 -2.871 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HA . . . . . . . . . rr_1jdk 1
. 3 . 441 . 1 1 3 TRP HB2 H -10.328 1.832 -4.376 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB2 . . . . . . . . . rr_1jdk 1
. 3 . 442 . 1 1 3 TRP HB3 H -10.137 2.977 -5.690 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB3 . . . . . . . . . rr_1jdk 1
. 3 . 443 . 1 1 3 TRP HD1 H -7.755 2.955 -7.009 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HD1 . . . . . . . . . rr_1jdk 1
. 3 . 444 . 1 1 3 TRP HE1 H -5.680 1.323 -7.075 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE1 . . . . . . . . . rr_1jdk 1
. 3 . 445 . 1 1 3 TRP HE3 H -8.925 0.357 -2.769 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE3 . . . . . . . . . rr_1jdk 1
. 3 . 446 . 1 1 3 TRP HH2 H -5.466 -2.117 -3.387 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HH2 . . . . . . . . . rr_1jdk 1
. 3 . 447 . 1 1 3 TRP HZ2 H -4.860 -0.853 -5.426 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ2 . . . . . . . . . rr_1jdk 1
. 3 . 448 . 1 1 3 TRP HZ3 H -7.468 -1.519 -2.079 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ3 . . . . . . . . . rr_1jdk 1
. 3 . 449 . 1 1 3 TRP N N -10.854 4.207 -3.267 . . . 1.0 . . . . . . . . . . . . A . 3 TRP N . . . . . . . . . rr_1jdk 1
. 3 . 450 . 1 1 3 TRP NE1 N -6.411 1.343 -6.354 . . . 1.0 . . . . . . . . . . . . A . 3 TRP NE1 . . . . . . . . . rr_1jdk 1
. 3 . 451 . 1 1 3 TRP O O -9.082 5.480 -5.395 . . . 1.0 . . . . . . . . . . . . A . 3 TRP O . . . . . . . . . rr_1jdk 1
. 3 . 452 . 1 1 4 GLY C C -5.483 6.191 -4.179 . . . 1.0 . . . . . . . . . . . . A . 4 GLY C . . . . . . . . . rr_1jdk 1
. 3 . 453 . 1 1 4 GLY CA C -6.934 6.645 -3.959 . . . 1.0 . . . . . . . . . . . . A . 4 GLY CA . . . . . . . . . rr_1jdk 1
. 3 . 454 . 1 1 4 GLY H H -7.604 4.966 -2.680 . . . 1.0 . . . . . . . . . . . . A . 4 GLY H . . . . . . . . . rr_1jdk 1
. 3 . 455 . 1 1 4 GLY HA2 H -7.304 7.131 -4.883 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA2 . . . . . . . . . rr_1jdk 1
. 3 . 456 . 1 1 4 GLY HA3 H -6.994 7.435 -3.186 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA3 . . . . . . . . . rr_1jdk 1
. 3 . 457 . 1 1 4 GLY N N -7.765 5.482 -3.552 . . . 1.0 . . . . . . . . . . . . A . 4 GLY N . . . . . . . . . rr_1jdk 1
. 3 . 458 . 1 1 4 GLY O O -5.111 5.843 -5.304 . . . 1.0 . . . . . . . . . . . . A . 4 GLY O . . . . . . . . . rr_1jdk 1
. 3 . 459 . 1 1 5 GLU C C -3.169 4.448 -2.309 . . . 1.0 . . . . . . . . . . . . A . 5 GLU C . . . . . . . . . rr_1jdk 1
. 3 . 460 . 1 1 5 GLU CA C -3.258 5.762 -3.140 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CA . . . . . . . . . rr_1jdk 1
. 3 . 461 . 1 1 5 GLU CB C -2.296 6.905 -2.703 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CB . . . . . . . . . rr_1jdk 1
. 3 . 462 . 1 1 5 GLU CD C -0.043 5.818 -3.599 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CD . . . . . . . . . rr_1jdk 1
. 3 . 463 . 1 1 5 GLU CG C -0.796 6.564 -2.481 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CG . . . . . . . . . rr_1jdk 1
. 3 . 464 . 1 1 5 GLU H H -5.182 6.401 -2.225 . . . 1.0 . . . . . . . . . . . . A . 5 GLU H . . . . . . . . . rr_1jdk 1
. 3 . 465 . 1 1 5 GLU HA H -2.952 5.547 -4.185 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HA . . . . . . . . . rr_1jdk 1
. 3 . 466 . 1 1 5 GLU HB2 H -2.350 7.716 -3.454 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB2 . . . . . . . . . rr_1jdk 1
. 3 . 467 . 1 1 5 GLU HB3 H -2.669 7.369 -1.769 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB3 . . . . . . . . . rr_1jdk 1
. 3 . 468 . 1 1 5 GLU HG2 H -0.252 7.510 -2.293 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG2 . . . . . . . . . rr_1jdk 1
. 3 . 469 . 1 1 5 GLU HG3 H -0.683 6.018 -1.525 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG3 . . . . . . . . . rr_1jdk 1
. 3 . 470 . 1 1 5 GLU N N -4.681 6.206 -3.100 . . . 1.0 . . . . . . . . . . . . A . 5 GLU N . . . . . . . . . rr_1jdk 1
. 3 . 471 . 1 1 5 GLU O O -3.023 4.472 -1.083 . . . 1.0 . . . . . . . . . . . . A . 5 GLU O . . . . . . . . . rr_1jdk 1
. 3 . 472 . 1 1 5 GLU OE1 O 0.486 6.448 -4.518 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE1 . . . . . . . . . rr_1jdk 1
. 3 . 473 . 1 1 6 SER C C -2.757 0.914 -3.501 . . . 1.0 . . . . . . . . . . . . A . 6 SER C . . . . . . . . . rr_1jdk 1
. 3 . 474 . 1 1 6 SER CA C -3.212 1.941 -2.401 . . . 1.0 . . . . . . . . . . . . A . 6 SER CA . . . . . . . . . rr_1jdk 1
. 3 . 475 . 1 1 6 SER CB C -4.547 1.503 -1.731 . . . 1.0 . . . . . . . . . . . . A . 6 SER CB . . . . . . . . . rr_1jdk 1
. 3 . 476 . 1 1 6 SER H H -3.270 3.438 -4.030 . . . 1.0 . . . . . . . . . . . . A . 6 SER H . . . . . . . . . rr_1jdk 1
. 3 . 477 . 1 1 6 SER HA H -2.442 1.995 -1.608 . . . 1.0 . . . . . . . . . . . . A . 6 SER HA . . . . . . . . . rr_1jdk 1
. 3 . 478 . 1 1 6 SER HB2 H -5.392 1.517 -2.444 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB2 . . . . . . . . . rr_1jdk 1
. 3 . 479 . 1 1 6 SER HB3 H -4.492 0.454 -1.372 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB3 . . . . . . . . . rr_1jdk 1
. 3 . 480 . 1 1 6 SER HG H -4.665 3.229 -0.884 . . . 1.0 . . . . . . . . . . . . A . 6 SER HG . . . . . . . . . rr_1jdk 1
. 3 . 481 . 1 1 6 SER N N -3.287 3.304 -3.010 . . . 1.0 . . . . . . . . . . . . A . 6 SER N . . . . . . . . . rr_1jdk 1
. 3 . 482 . 1 1 6 SER O O -2.856 1.194 -4.703 . . . 1.0 . . . . . . . . . . . . A . 6 SER O . . . . . . . . . rr_1jdk 1
. 3 . 483 . 1 1 6 SER OG O -4.858 2.326 -0.613 . . . 1.0 . . . . . . . . . . . . A . 6 SER OG . . . . . . . . . rr_1jdk 1
. 3 . 484 . 1 1 7 GLY C C -1.444 -2.637 -3.494 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . rr_1jdk 1
. 3 . 485 . 1 1 7 GLY CA C -1.820 -1.285 -4.124 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . rr_1jdk 1
. 3 . 486 . 1 1 7 GLY H H -2.354 -0.562 -2.138 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . rr_1jdk 1
. 3 . 487 . 1 1 7 GLY HA2 H -2.641 -1.468 -4.846 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . rr_1jdk 1
. 3 . 488 . 1 1 7 GLY HA3 H -0.994 -0.866 -4.731 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . rr_1jdk 1
. 3 . 489 . 1 1 7 GLY N N -2.261 -0.287 -3.123 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . rr_1jdk 1
. 3 . 490 . 1 1 7 GLY O O -2.324 -3.335 -2.980 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . rr_1jdk 1
. 3 . 491 . 1 1 8 LYS C C 1.849 -4.232 -2.612 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . rr_1jdk 1
. 3 . 492 . 1 1 8 LYS CA C 0.342 -4.310 -3.009 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . rr_1jdk 1
. 3 . 493 . 1 1 8 LYS CB C 0.021 -5.489 -3.981 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . rr_1jdk 1
. 3 . 494 . 1 1 8 LYS CD C -0.559 -7.393 -2.301 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . rr_1jdk 1
. 3 . 495 . 1 1 8 LYS CE C -0.284 -8.832 -1.822 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . rr_1jdk 1
. 3 . 496 . 1 1 8 LYS CG C 0.323 -6.921 -3.480 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . rr_1jdk 1
. 3 . 497 . 1 1 8 LYS H H 0.498 -2.322 -3.945 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . rr_1jdk 1
. 3 . 498 . 1 1 8 LYS HA H -0.210 -4.501 -2.066 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . rr_1jdk 1
. 3 . 499 . 1 1 8 LYS HB2 H -1.046 -5.451 -4.273 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . rr_1jdk 1
. 3 . 500 . 1 1 8 LYS HB3 H 0.569 -5.333 -4.932 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . rr_1jdk 1
. 3 . 501 . 1 1 8 LYS HD2 H -0.395 -6.718 -1.441 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . rr_1jdk 1
. 3 . 502 . 1 1 8 LYS HD3 H -1.631 -7.277 -2.554 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . rr_1jdk 1
. 3 . 503 . 1 1 8 LYS HE2 H 0.794 -8.974 -1.619 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . rr_1jdk 1
. 3 . 504 . 1 1 8 LYS HE3 H -0.792 -8.999 -0.854 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . rr_1jdk 1
. 3 . 505 . 1 1 8 LYS HG2 H 0.188 -7.616 -4.330 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . rr_1jdk 1
. 3 . 506 . 1 1 8 LYS HG3 H 1.392 -7.007 -3.208 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . rr_1jdk 1
. 3 . 507 . 1 1 8 LYS HZ1 H -1.751 -9.743 -2.960 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . rr_1jdk 1
. 3 . 508 . 1 1 8 LYS HZ2 H -0.287 -9.731 -3.684 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . rr_1jdk 1
. 3 . 509 . 1 1 8 LYS N N -0.153 -3.017 -3.563 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . rr_1jdk 1
. 3 . 510 . 1 1 8 LYS NZ N -0.748 -9.859 -2.777 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . rr_1jdk 1
. 3 . 511 . 1 1 8 LYS O O 2.168 -4.474 -1.445 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . rr_1jdk 1
. 3 . 512 . 1 1 9 LEU C C 4.622 -2.622 -2.372 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . rr_1jdk 1
. 3 . 513 . 1 1 9 LEU CA C 4.228 -3.830 -3.281 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . rr_1jdk 1
. 3 . 514 . 1 1 9 LEU CB C 4.994 -3.925 -4.636 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . rr_1jdk 1
. 3 . 515 . 1 1 9 LEU CD1 C 7.057 -5.300 -3.904 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . rr_1jdk 1
. 3 . 516 . 1 1 9 LEU CD2 C 7.155 -3.871 -5.979 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . rr_1jdk 1
. 3 . 517 . 1 1 9 LEU CG C 6.547 -4.006 -4.570 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . rr_1jdk 1
. 3 . 518 . 1 1 9 LEU H H 2.380 -3.758 -4.492 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . rr_1jdk 1
. 3 . 519 . 1 1 9 LEU HA H 4.496 -4.745 -2.717 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . rr_1jdk 1
. 3 . 520 . 1 1 9 LEU HB2 H 4.626 -4.802 -5.205 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . rr_1jdk 1
. 3 . 521 . 1 1 9 LEU HB3 H 4.710 -3.053 -5.258 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . rr_1jdk 1
. 3 . 522 . 1 1 9 LEU HD11 H 6.722 -5.382 -2.855 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . rr_1jdk 1
. 3 . 523 . 1 1 9 LEU HD12 H 6.707 -6.207 -4.434 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . rr_1jdk 1
. 3 . 524 . 1 1 9 LEU HD13 H 8.162 -5.340 -3.882 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . rr_1jdk 1
. 3 . 525 . 1 1 9 LEU HD21 H 6.840 -4.692 -6.651 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . rr_1jdk 1
. 3 . 526 . 1 1 9 LEU HD22 H 6.859 -2.920 -6.462 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . rr_1jdk 1
. 3 . 527 . 1 1 9 LEU HD23 H 8.260 -3.877 -5.949 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . rr_1jdk 1
. 3 . 528 . 1 1 9 LEU HG H 6.918 -3.150 -3.975 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . rr_1jdk 1
. 3 . 529 . 1 1 9 LEU N N 2.765 -3.911 -3.555 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . rr_1jdk 1
. 3 . 530 . 1 1 9 LEU O O 4.975 -2.851 -1.212 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . rr_1jdk 1
. 3 . 531 . 1 1 10 ILE C C 4.044 1.038 -2.506 . . . 1.0 . . . . . . . . . . . . A . 10 ILE C . . . . . . . . . rr_1jdk 1
. 3 . 532 . 1 1 10 ILE CA C 4.938 -0.165 -2.070 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CA . . . . . . . . . rr_1jdk 1
. 3 . 533 . 1 1 10 ILE CB C 6.500 0.070 -2.010 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CB . . . . . . . . . rr_1jdk 1
. 3 . 534 . 1 1 10 ILE CD1 C 6.749 2.526 -1.053 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CD1 . . . . . . . . . rr_1jdk 1
. 3 . 535 . 1 1 10 ILE CG1 C 6.966 1.015 -0.865 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CG1 . . . . . . . . . rr_1jdk 1
. 3 . 536 . 1 1 10 ILE CG2 C 7.235 0.391 -3.341 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CG2 . . . . . . . . . rr_1jdk 1
. 3 . 537 . 1 1 10 ILE H H 4.270 -1.320 -3.858 . . . 1.0 . . . . . . . . . . . . A . 10 ILE H . . . . . . . . . rr_1jdk 1
. 3 . 538 . 1 1 10 ILE HA H 4.651 -0.379 -1.018 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HA . . . . . . . . . rr_1jdk 1
. 3 . 539 . 1 1 10 ILE HB H 6.917 -0.911 -1.708 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HB . . . . . . . . . rr_1jdk 1
. 3 . 540 . 1 1 10 ILE HD11 H 7.177 3.094 -0.208 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD11 . . . . . . . . . rr_1jdk 1
. 3 . 541 . 1 1 10 ILE HD12 H 7.238 2.899 -1.973 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD12 . . . . . . . . . rr_1jdk 1
. 3 . 542 . 1 1 10 ILE HD13 H 5.679 2.789 -1.115 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD13 . . . . . . . . . rr_1jdk 1
. 3 . 543 . 1 1 10 ILE HG12 H 6.492 0.705 0.086 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG12 . . . . . . . . . rr_1jdk 1
. 3 . 544 . 1 1 10 ILE HG13 H 8.047 0.851 -0.693 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG13 . . . . . . . . . rr_1jdk 1
. 3 . 545 . 1 1 10 ILE HG21 H 7.045 -0.369 -4.119 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG21 . . . . . . . . . rr_1jdk 1
. 3 . 546 . 1 1 10 ILE HG22 H 6.948 1.373 -3.762 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG22 . . . . . . . . . rr_1jdk 1
. 3 . 547 . 1 1 10 ILE HG23 H 8.333 0.426 -3.198 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG23 . . . . . . . . . rr_1jdk 1
. 3 . 548 . 1 1 10 ILE N N 4.576 -1.371 -2.878 . . . 1.0 . . . . . . . . . . . . A . 10 ILE N . . . . . . . . . rr_1jdk 1
. 3 . 549 . 1 1 10 ILE O O 4.425 1.813 -3.388 . . . 1.0 . . . . . . . . . . . . A . 10 ILE O . . . . . . . . . rr_1jdk 1
. 3 . 550 . 1 1 11 . C C 0.801 2.226 -1.100 . . . 1.0 . . . . . . . . . . . . A . 11 DAB C . . . . . . . . . rr_1jdk 1
. 3 . 551 . 1 1 11 . CA C 1.903 2.298 -2.195 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CA . . . . . . . . . rr_1jdk 1
. 3 . 552 . 1 1 11 . CB C 1.291 2.285 -3.640 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CB . . . . . . . . . rr_1jdk 1
. 3 . 553 . 1 1 11 . CG C 0.983 3.667 -4.267 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CG . . . . . . . . . rr_1jdk 1
. 3 . 554 . 1 1 11 . H H 2.632 0.516 -1.138 . . . 1.0 . . . . . . . . . . . . A . 11 DAB H . . . . . . . . . rr_1jdk 1
. 3 . 555 . 1 1 11 . HA H 2.476 3.241 -2.078 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HA . . . . . . . . . rr_1jdk 1
. 3 . 556 . 1 1 11 . HB2 H 1.992 1.786 -4.336 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HB2 . . . . . . . . . rr_1jdk 1
. 3 . 557 . 1 1 11 . HB3 H 0.389 1.645 -3.685 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HB3 . . . . . . . . . rr_1jdk 1
. 3 . 558 . 1 1 11 . HD2 H -0.441 4.104 -2.647 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HD2 . . . . . . . . . rr_1jdk 1
. 3 . 559 . 1 1 11 . HG2 H 1.938 4.207 -4.423 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HG2 . . . . . . . . . rr_1jdk 1
. 3 . 560 . 1 1 11 . HG3 H 0.554 3.526 -5.277 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HG3 . . . . . . . . . rr_1jdk 1
. 3 . 561 . 1 1 11 . N N 2.842 1.180 -1.898 . . . 1.0 . . . . . . . . . . . . A . 11 DAB N . . . . . . . . . rr_1jdk 1
. 3 . 562 . 1 1 11 . ND N 0.056 4.488 -3.458 . . . 1.0 . . . . . . . . . . . . A . 11 DAB ND . . . . . . . . . rr_1jdk 1
. 3 . 563 . 1 1 11 . O O -0.090 1.374 -1.182 . . . 1.0 . . . . . . . . . . . . A . 11 DAB O . . . . . . . . . rr_1jdk 1
. 3 . 564 . 1 1 12 THR C C -0.185 4.541 1.639 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_1jdk 1
. 3 . 565 . 1 1 12 THR CA C -0.135 3.105 1.039 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_1jdk 1
. 3 . 566 . 1 1 12 THR CB C 0.159 2.025 2.137 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_1jdk 1
. 3 . 567 . 1 1 12 THR CG2 C -0.943 1.901 3.205 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_1jdk 1
. 3 . 568 . 1 1 12 THR H H 1.668 3.735 -0.085 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_1jdk 1
. 3 . 569 . 1 1 12 THR HA H -1.131 2.865 0.611 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_1jdk 1
. 3 . 570 . 1 1 12 THR HB H 1.111 2.272 2.647 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_1jdk 1
. 3 . 571 . 1 1 12 THR HG1 H -0.463 0.593 1.008 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG1 . . . . . . . . . rr_1jdk 1
. 3 . 572 . 1 1 12 THR HG21 H -1.077 2.842 3.770 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_1jdk 1
. 3 . 573 . 1 1 12 THR HG22 H -1.920 1.638 2.760 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_1jdk 1
. 3 . 574 . 1 1 12 THR HG23 H -0.698 1.116 3.945 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_1jdk 1
. 3 . 575 . 1 1 12 THR N N 0.869 3.092 -0.066 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_1jdk 1
. 3 . 576 . 1 1 12 THR O O 0.706 4.933 2.402 . . . 1.0 . . . . . . . . . . . . A . 12 THR O . . . . . . . . . rr_1jdk 1
. 3 . 577 . 1 1 12 THR OG1 O 0.306 0.728 1.566 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_1jdk 1
. 3 . 578 . 1 1 13 THR C C -2.977 6.912 1.846 . . . 1.0 . . . . . . . . . . . . A . 13 THR C . . . . . . . . . rr_1jdk 1
. 3 . 579 . 1 1 13 THR CA C -1.436 6.697 1.814 . . . 1.0 . . . . . . . . . . . . A . 13 THR CA . . . . . . . . . rr_1jdk 1
. 3 . 580 . 1 1 13 THR CB C -0.699 7.803 0.993 . . . 1.0 . . . . . . . . . . . . A . 13 THR CB . . . . . . . . . rr_1jdk 1
. 3 . 581 . 1 1 13 THR CG2 C -0.769 9.203 1.629 . . . 1.0 . . . . . . . . . . . . A . 13 THR CG2 . . . . . . . . . rr_1jdk 1
. 3 . 582 . 1 1 13 THR H H -1.888 4.885 0.631 . . . 1.0 . . . . . . . . . . . . A . 13 THR H . . . . . . . . . rr_1jdk 1
. 3 . 583 . 1 1 13 THR HA H -1.039 6.746 2.850 . . . 1.0 . . . . . . . . . . . . A . 13 THR HA . . . . . . . . . rr_1jdk 1
. 3 . 584 . 1 1 13 THR HB H -1.146 7.867 -0.015 . . . 1.0 . . . . . . . . . . . . A . 13 THR HB . . . . . . . . . rr_1jdk 1
. 3 . 585 . 1 1 13 THR HG1 H 1.079 8.246 0.401 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG1 . . . . . . . . . rr_1jdk 1
. 3 . 586 . 1 1 13 THR HG21 H -0.314 9.220 2.636 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG21 . . . . . . . . . rr_1jdk 1
. 3 . 587 . 1 1 13 THR HG22 H -0.235 9.952 1.015 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG22 . . . . . . . . . rr_1jdk 1
. 3 . 588 . 1 1 13 THR HG23 H -1.812 9.557 1.730 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG23 . . . . . . . . . rr_1jdk 1
. 3 . 589 . 1 1 13 THR N N -1.232 5.313 1.296 . . . 1.0 . . . . . . . . . . . . A . 13 THR N . . . . . . . . . rr_1jdk 1
. 3 . 590 . 1 1 13 THR O O -3.621 7.037 0.796 . . . 1.0 . . . . . . . . . . . . A . 13 THR O . . . . . . . . . rr_1jdk 1
. 3 . 591 . 1 1 13 THR OG1 O 0.683 7.492 0.843 . . . 1.0 . . . . . . . . . . . . A . 13 THR OG1 . . . . . . . . . rr_1jdk 1
. 3 . 592 . 1 1 14 ALA C C -5.367 8.678 3.271 . . . 1.0 . . . . . . . . . . . . A . 14 ALA C . . . . . . . . . rr_1jdk 1
. 3 . 593 . 1 1 14 ALA CA C -5.021 7.170 3.243 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CA . . . . . . . . . rr_1jdk 1
. 3 . 594 . 1 1 14 ALA CB C -5.457 6.424 4.519 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CB . . . . . . . . . rr_1jdk 1
. 3 . 595 . 1 1 14 ALA H H -2.925 6.849 3.855 . . . 1.0 . . . . . . . . . . . . A . 14 ALA H . . . . . . . . . rr_1jdk 1
. 3 . 596 . 1 1 14 ALA HXT H -5.382 8.521 1.331 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HXT . . . . . . . . . rr_1jdk 1
. 3 . 597 . 1 1 14 ALA HA H -5.577 6.704 2.406 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HA . . . . . . . . . rr_1jdk 1
. 3 . 598 . 1 1 14 ALA HB1 H -5.240 5.341 4.456 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB1 . . . . . . . . . rr_1jdk 1
. 3 . 599 . 1 1 14 ALA HB2 H -4.955 6.810 5.426 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB2 . . . . . . . . . rr_1jdk 1
. 3 . 600 . 1 1 14 ALA HB3 H -6.546 6.518 4.686 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB3 . . . . . . . . . rr_1jdk 1
. 3 . 601 . 1 1 14 ALA N N -3.562 6.971 3.059 . . . 1.0 . . . . . . . . . . . . A . 14 ALA N . . . . . . . . . rr_1jdk 1
. 3 . 602 . 1 1 14 ALA O O -5.464 9.351 4.298 . . . 1.0 . . . . . . . . . . . . A . 14 ALA O . . . . . . . . . rr_1jdk 1
. 3 . 603 . 1 1 14 ALA OXT O -5.541 9.185 2.007 . . . 1.0 . . . . . . . . . . . . A . 14 ALA OXT . . . . . . . . . rr_1jdk 1
. 4 . 604 . 1 1 1 ACE C C -8.161 4.001 -10.623 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . rr_1jdk 1
. 4 . 605 . 1 1 1 ACE CH3 C -7.536 3.287 -11.817 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . rr_1jdk 1
. 4 . 606 . 1 1 1 ACE H1 H -8.255 3.208 -12.654 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . rr_1jdk 1
. 4 . 607 . 1 1 1 ACE H2 H -6.650 3.830 -12.198 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . rr_1jdk 1
. 4 . 608 . 1 1 1 ACE H3 H -7.221 2.261 -11.554 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . rr_1jdk 1
. 4 . 609 . 1 1 1 ACE O O -9.350 4.326 -10.636 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . rr_1jdk 1
. 4 . 610 . 1 1 2 ILE C C -6.542 5.794 -7.891 . . . 1.0 . . . . . . . . . . . . A . 2 ILE C . . . . . . . . . rr_1jdk 1
. 4 . 611 . 1 1 2 ILE CA C -7.751 4.908 -8.340 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CA . . . . . . . . . rr_1jdk 1
. 4 . 612 . 1 1 2 ILE CB C -8.343 3.896 -7.283 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CB . . . . . . . . . rr_1jdk 1
. 4 . 613 . 1 1 2 ILE CD1 C -10.682 4.899 -6.789 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CD1 . . . . . . . . . rr_1jdk 1
. 4 . 614 . 1 1 2 ILE CG1 C -9.280 4.578 -6.245 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG1 . . . . . . . . . rr_1jdk 1
. 4 . 615 . 1 1 2 ILE CG2 C -7.323 2.995 -6.542 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG2 . . . . . . . . . rr_1jdk 1
. 4 . 616 . 1 1 2 ILE H H -6.357 3.981 -9.788 . . . 1.0 . . . . . . . . . . . . A . 2 ILE H . . . . . . . . . rr_1jdk 1
. 4 . 617 . 1 1 2 ILE HA H -8.580 5.594 -8.605 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HA . . . . . . . . . rr_1jdk 1
. 4 . 618 . 1 1 2 ILE HB H -8.980 3.182 -7.842 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HB . . . . . . . . . rr_1jdk 1
. 4 . 619 . 1 1 2 ILE HD11 H -11.195 3.985 -7.144 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD11 . . . . . . . . . rr_1jdk 1
. 4 . 620 . 1 1 2 ILE HD12 H -11.321 5.344 -6.007 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD12 . . . . . . . . . rr_1jdk 1
. 4 . 621 . 1 1 2 ILE HD13 H -10.651 5.609 -7.635 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD13 . . . . . . . . . rr_1jdk 1
. 4 . 622 . 1 1 2 ILE HG12 H -9.425 3.923 -5.364 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG12 . . . . . . . . . rr_1jdk 1
. 4 . 623 . 1 1 2 ILE HG13 H -8.808 5.494 -5.842 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG13 . . . . . . . . . rr_1jdk 1
. 4 . 624 . 1 1 2 ILE HG21 H -6.705 3.568 -5.825 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG21 . . . . . . . . . rr_1jdk 1
. 4 . 625 . 1 1 2 ILE HG22 H -7.826 2.201 -5.958 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG22 . . . . . . . . . rr_1jdk 1
. 4 . 626 . 1 1 2 ILE HG23 H -6.633 2.487 -7.240 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG23 . . . . . . . . . rr_1jdk 1
. 4 . 627 . 1 1 2 ILE N N -7.334 4.219 -9.593 . . . 1.0 . . . . . . . . . . . . A . 2 ILE N . . . . . . . . . rr_1jdk 1
. 4 . 628 . 1 1 2 ILE O O -5.556 5.286 -7.345 . . . 1.0 . . . . . . . . . . . . A . 2 ILE O . . . . . . . . . rr_1jdk 1
. 4 . 629 . 1 1 3 TRP C C -5.701 8.594 -6.321 . . . 1.0 . . . . . . . . . . . . A . 3 TRP C . . . . . . . . . rr_1jdk 1
. 4 . 630 . 1 1 3 TRP CA C -5.513 8.066 -7.773 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CA . . . . . . . . . rr_1jdk 1
. 4 . 631 . 1 1 3 TRP CB C -5.375 9.218 -8.812 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CB . . . . . . . . . rr_1jdk 1
. 4 . 632 . 1 1 3 TRP CD1 C -3.388 9.050 -10.516 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD1 . . . . . . . . . rr_1jdk 1
. 4 . 633 . 1 1 3 TRP CD2 C -5.301 8.171 -11.235 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD2 . . . . . . . . . rr_1jdk 1
. 4 . 634 . 1 1 3 TRP CE2 C -4.303 8.018 -12.231 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE2 . . . . . . . . . rr_1jdk 1
. 4 . 635 . 1 1 3 TRP CE3 C -6.600 7.642 -11.436 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE3 . . . . . . . . . rr_1jdk 1
. 4 . 636 . 1 1 3 TRP CG C -4.732 8.819 -10.152 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CG . . . . . . . . . rr_1jdk 1
. 4 . 637 . 1 1 3 TRP CH2 C -5.885 6.815 -13.611 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CH2 . . . . . . . . . rr_1jdk 1
. 4 . 638 . 1 1 3 TRP CZ2 C -4.599 7.329 -13.432 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ2 . . . . . . . . . rr_1jdk 1
. 4 . 639 . 1 1 3 TRP CZ3 C -6.871 6.971 -12.628 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ3 . . . . . . . . . rr_1jdk 1
. 4 . 640 . 1 1 3 TRP H H -7.424 7.432 -8.672 . . . 1.0 . . . . . . . . . . . . A . 3 TRP H . . . . . . . . . rr_1jdk 1
. 4 . 641 . 1 1 3 TRP HA H -4.547 7.523 -7.823 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HA . . . . . . . . . rr_1jdk 1
. 4 . 642 . 1 1 3 TRP HB2 H -6.351 9.705 -8.994 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB2 . . . . . . . . . rr_1jdk 1
. 4 . 643 . 1 1 3 TRP HB3 H -4.754 10.027 -8.377 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB3 . . . . . . . . . rr_1jdk 1
. 4 . 644 . 1 1 3 TRP HD1 H -2.658 9.534 -9.881 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HD1 . . . . . . . . . rr_1jdk 1
. 4 . 645 . 1 1 3 TRP HE1 H -2.214 8.613 -12.317 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE1 . . . . . . . . . rr_1jdk 1
. 4 . 646 . 1 1 3 TRP HE3 H -7.352 7.727 -10.665 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE3 . . . . . . . . . rr_1jdk 1
. 4 . 647 . 1 1 3 TRP HH2 H -6.123 6.283 -14.520 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HH2 . . . . . . . . . rr_1jdk 1
. 4 . 648 . 1 1 3 TRP HZ2 H -3.844 7.192 -14.192 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ2 . . . . . . . . . rr_1jdk 1
. 4 . 649 . 1 1 3 TRP HZ3 H -7.853 6.550 -12.788 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ3 . . . . . . . . . rr_1jdk 1
. 4 . 650 . 1 1 3 TRP N N -6.610 7.122 -8.131 . . . 1.0 . . . . . . . . . . . . A . 3 TRP N . . . . . . . . . rr_1jdk 1
. 4 . 651 . 1 1 3 TRP NE1 N -3.103 8.566 -11.807 . . . 1.0 . . . . . . . . . . . . A . 3 TRP NE1 . . . . . . . . . rr_1jdk 1
. 4 . 652 . 1 1 3 TRP O O -6.324 9.633 -6.076 . . . 1.0 . . . . . . . . . . . . A . 3 TRP O . . . . . . . . . rr_1jdk 1
. 4 . 653 . 1 1 4 GLY C C -4.086 7.395 -3.196 . . . 1.0 . . . . . . . . . . . . A . 4 GLY C . . . . . . . . . rr_1jdk 1
. 4 . 654 . 1 1 4 GLY CA C -5.188 8.169 -3.934 . . . 1.0 . . . . . . . . . . . . A . 4 GLY CA . . . . . . . . . rr_1jdk 1
. 4 . 655 . 1 1 4 GLY H H -4.820 6.927 -5.731 . . . 1.0 . . . . . . . . . . . . A . 4 GLY H . . . . . . . . . rr_1jdk 1
. 4 . 656 . 1 1 4 GLY HA2 H -5.028 9.253 -3.775 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA2 . . . . . . . . . rr_1jdk 1
. 4 . 657 . 1 1 4 GLY HA3 H -6.196 7.949 -3.529 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA3 . . . . . . . . . rr_1jdk 1
. 4 . 658 . 1 1 4 GLY N N -5.135 7.836 -5.374 . . . 1.0 . . . . . . . . . . . . A . 4 GLY N . . . . . . . . . rr_1jdk 1
. 4 . 659 . 1 1 4 GLY O O -2.927 7.816 -3.213 . . . 1.0 . . . . . . . . . . . . A . 4 GLY O . . . . . . . . . rr_1jdk 1
. 4 . 660 . 1 1 5 GLU C C -3.861 3.947 -2.211 . . . 1.0 . . . . . . . . . . . . A . 5 GLU C . . . . . . . . . rr_1jdk 1
. 4 . 661 . 1 1 5 GLU CA C -3.511 5.406 -1.810 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CA . . . . . . . . . rr_1jdk 1
. 4 . 662 . 1 1 5 GLU CB C -3.584 5.662 -0.275 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CB . . . . . . . . . rr_1jdk 1
. 4 . 663 . 1 1 5 GLU CD C -2.137 3.649 0.610 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CD . . . . . . . . . rr_1jdk 1
. 4 . 664 . 1 1 5 GLU CG C -2.377 5.174 0.568 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CG . . . . . . . . . rr_1jdk 1
. 4 . 665 . 1 1 5 GLU H H -5.459 6.049 -2.625 . . . 1.0 . . . . . . . . . . . . A . 5 GLU H . . . . . . . . . rr_1jdk 1
. 4 . 666 . 1 1 5 GLU HA H -2.472 5.635 -2.119 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HA . . . . . . . . . rr_1jdk 1
. 4 . 667 . 1 1 5 GLU HB2 H -3.664 6.753 -0.099 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB2 . . . . . . . . . rr_1jdk 1
. 4 . 668 . 1 1 5 GLU HB3 H -4.523 5.250 0.143 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB3 . . . . . . . . . rr_1jdk 1
. 4 . 669 . 1 1 5 GLU HG2 H -1.467 5.719 0.250 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG2 . . . . . . . . . rr_1jdk 1
. 4 . 670 . 1 1 5 GLU HG3 H -2.538 5.512 1.611 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG3 . . . . . . . . . rr_1jdk 1
. 4 . 671 . 1 1 5 GLU N N -4.462 6.279 -2.550 . . . 1.0 . . . . . . . . . . . . A . 5 GLU N . . . . . . . . . rr_1jdk 1
. 4 . 672 . 1 1 5 GLU O O -4.858 3.389 -1.739 . . . 1.0 . . . . . . . . . . . . A . 5 GLU O . . . . . . . . . rr_1jdk 1
. 4 . 673 . 1 1 5 GLU OE1 O -2.922 2.928 1.232 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE1 . . . . . . . . . rr_1jdk 1
. 4 . 674 . 1 1 6 SER C C -1.920 1.267 -4.013 . . . 1.0 . . . . . . . . . . . . A . 6 SER C . . . . . . . . . rr_1jdk 1
. 4 . 675 . 1 1 6 SER CA C -3.261 1.939 -3.564 . . . 1.0 . . . . . . . . . . . . A . 6 SER CA . . . . . . . . . rr_1jdk 1
. 4 . 676 . 1 1 6 SER CB C -4.334 1.895 -4.684 . . . 1.0 . . . . . . . . . . . . A . 6 SER CB . . . . . . . . . rr_1jdk 1
. 4 . 677 . 1 1 6 SER H H -2.235 3.892 -3.398 . . . 1.0 . . . . . . . . . . . . A . 6 SER H . . . . . . . . . rr_1jdk 1
. 4 . 678 . 1 1 6 SER HA H -3.664 1.386 -2.689 . . . 1.0 . . . . . . . . . . . . A . 6 SER HA . . . . . . . . . rr_1jdk 1
. 4 . 679 . 1 1 6 SER HB2 H -4.510 0.856 -5.021 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB2 . . . . . . . . . rr_1jdk 1
. 4 . 680 . 1 1 6 SER HB3 H -5.310 2.239 -4.294 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB3 . . . . . . . . . rr_1jdk 1
. 4 . 681 . 1 1 6 SER HG H -3.095 2.409 -6.070 . . . 1.0 . . . . . . . . . . . . A . 6 SER HG . . . . . . . . . rr_1jdk 1
. 4 . 682 . 1 1 6 SER N N -3.044 3.338 -3.093 . . . 1.0 . . . . . . . . . . . . A . 6 SER N . . . . . . . . . rr_1jdk 1
. 4 . 683 . 1 1 6 SER O O -0.954 1.965 -4.350 . . . 1.0 . . . . . . . . . . . . A . 6 SER O . . . . . . . . . rr_1jdk 1
. 4 . 684 . 1 1 6 SER OG O -3.969 2.700 -5.801 . . . 1.0 . . . . . . . . . . . . A . 6 SER OG . . . . . . . . . rr_1jdk 1
. 4 . 685 . 1 1 7 GLY C C -0.250 -1.818 -3.319 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . rr_1jdk 1
. 4 . 686 . 1 1 7 GLY CA C -0.634 -0.827 -4.437 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . rr_1jdk 1
. 4 . 687 . 1 1 7 GLY H H -2.743 -0.607 -4.002 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . rr_1jdk 1
. 4 . 688 . 1 1 7 GLY HA2 H -0.806 -1.333 -5.406 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . rr_1jdk 1
. 4 . 689 . 1 1 7 GLY HA3 H 0.225 -0.152 -4.618 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . rr_1jdk 1
. 4 . 690 . 1 1 7 GLY N N -1.860 -0.087 -4.053 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . rr_1jdk 1
. 4 . 691 . 1 1 7 GLY O O 0.094 -1.380 -2.216 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . rr_1jdk 1
. 4 . 692 . 1 1 8 LYS C C 1.527 -4.101 -2.039 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . rr_1jdk 1
. 4 . 693 . 1 1 8 LYS CA C 0.065 -4.193 -2.592 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . rr_1jdk 1
. 4 . 694 . 1 1 8 LYS CB C -0.307 -5.583 -3.185 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . rr_1jdk 1
. 4 . 695 . 1 1 8 LYS CD C -0.669 -8.100 -2.805 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . rr_1jdk 1
. 4 . 696 . 1 1 8 LYS CE C -0.628 -9.258 -1.792 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . rr_1jdk 1
. 4 . 697 . 1 1 8 LYS CG C -0.269 -6.752 -2.175 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . rr_1jdk 1
. 4 . 698 . 1 1 8 LYS H H -0.625 -3.398 -4.527 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . rr_1jdk 1
. 4 . 699 . 1 1 8 LYS HA H -0.610 -4.035 -1.728 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . rr_1jdk 1
. 4 . 700 . 1 1 8 LYS HB2 H -1.329 -5.538 -3.612 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . rr_1jdk 1
. 4 . 701 . 1 1 8 LYS HB3 H 0.355 -5.813 -4.042 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . rr_1jdk 1
. 4 . 702 . 1 1 8 LYS HD2 H -1.687 -8.017 -3.236 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . rr_1jdk 1
. 4 . 703 . 1 1 8 LYS HD3 H 0.003 -8.322 -3.656 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . rr_1jdk 1
. 4 . 704 . 1 1 8 LYS HE2 H 0.386 -9.360 -1.362 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . rr_1jdk 1
. 4 . 705 . 1 1 8 LYS HE3 H -1.306 -9.054 -0.943 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . rr_1jdk 1
. 4 . 706 . 1 1 8 LYS HG2 H 0.746 -6.838 -1.742 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . rr_1jdk 1
. 4 . 707 . 1 1 8 LYS HG3 H -0.940 -6.526 -1.324 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . rr_1jdk 1
. 4 . 708 . 1 1 8 LYS HZ1 H -0.949 -11.302 -1.751 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . rr_1jdk 1
. 4 . 709 . 1 1 8 LYS HZ2 H -0.365 -10.766 -3.182 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . rr_1jdk 1
. 4 . 710 . 1 1 8 LYS N N -0.280 -3.140 -3.596 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . rr_1jdk 1
. 4 . 711 . 1 1 8 LYS NZ N -1.017 -10.531 -2.426 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . rr_1jdk 1
. 4 . 712 . 1 1 8 LYS O O 1.697 -3.965 -0.824 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . rr_1jdk 1
. 4 . 713 . 1 1 9 LEU C C 4.365 -2.567 -2.177 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . rr_1jdk 1
. 4 . 714 . 1 1 9 LEU CA C 3.982 -4.052 -2.492 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . rr_1jdk 1
. 4 . 715 . 1 1 9 LEU CB C 4.877 -4.740 -3.565 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . rr_1jdk 1
. 4 . 716 . 1 1 9 LEU CD1 C 6.728 -5.725 -2.055 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . rr_1jdk 1
. 4 . 717 . 1 1 9 LEU CD2 C 7.167 -5.325 -4.506 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . rr_1jdk 1
. 4 . 718 . 1 1 9 LEU CG C 6.401 -4.827 -3.266 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . rr_1jdk 1
. 4 . 719 . 1 1 9 LEU H H 2.280 -4.277 -3.891 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . rr_1jdk 1
. 4 . 720 . 1 1 9 LEU HA H 4.107 -4.629 -1.554 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . rr_1jdk 1
. 4 . 721 . 1 1 9 LEU HB2 H 4.499 -5.765 -3.754 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . rr_1jdk 1
. 4 . 722 . 1 1 9 LEU HB3 H 4.735 -4.210 -4.529 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . rr_1jdk 1
. 4 . 723 . 1 1 9 LEU HD11 H 6.366 -6.760 -2.194 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . rr_1jdk 1
. 4 . 724 . 1 1 9 LEU HD12 H 7.818 -5.781 -1.870 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . rr_1jdk 1
. 4 . 725 . 1 1 9 LEU HD13 H 6.274 -5.339 -1.124 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . rr_1jdk 1
. 4 . 726 . 1 1 9 LEU HD21 H 8.259 -5.349 -4.330 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . rr_1jdk 1
. 4 . 727 . 1 1 9 LEU HD22 H 6.861 -6.346 -4.803 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . rr_1jdk 1
. 4 . 728 . 1 1 9 LEU HD23 H 7.003 -4.666 -5.378 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . rr_1jdk 1
. 4 . 729 . 1 1 9 LEU HG H 6.774 -3.810 -3.043 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . rr_1jdk 1
. 4 . 730 . 1 1 9 LEU N N 2.554 -4.167 -2.909 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . rr_1jdk 1
. 4 . 731 . 1 1 9 LEU O O 4.787 -2.280 -1.054 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . rr_1jdk 1
. 4 . 732 . 1 1 10 ILE C C 3.167 0.575 -3.032 . . . 1.0 . . . . . . . . . . . . A . 10 ILE C . . . . . . . . . rr_1jdk 1
. 4 . 733 . 1 1 10 ILE CA C 4.525 -0.203 -3.001 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CA . . . . . . . . . rr_1jdk 1
. 4 . 734 . 1 1 10 ILE CB C 5.654 0.295 -3.987 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CB . . . . . . . . . rr_1jdk 1
. 4 . 735 . 1 1 10 ILE CD1 C 4.535 0.469 -6.369 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CD1 . . . . . . . . . rr_1jdk 1
. 4 . 736 . 1 1 10 ILE CG1 C 5.626 -0.148 -5.486 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CG1 . . . . . . . . . rr_1jdk 1
. 4 . 737 . 1 1 10 ILE CG2 C 7.056 -0.062 -3.424 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CG2 . . . . . . . . . rr_1jdk 1
. 4 . 738 . 1 1 10 ILE H H 3.850 -2.033 -4.034 . . . 1.0 . . . . . . . . . . . . A . 10 ILE H . . . . . . . . . rr_1jdk 1
. 4 . 739 . 1 1 10 ILE HA H 4.944 -0.033 -1.987 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HA . . . . . . . . . rr_1jdk 1
. 4 . 740 . 1 1 10 ILE HB H 5.617 1.398 -3.991 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HB . . . . . . . . . rr_1jdk 1
. 4 . 741 . 1 1 10 ILE HD11 H 4.454 1.562 -6.219 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD11 . . . . . . . . . rr_1jdk 1
. 4 . 742 . 1 1 10 ILE HD12 H 4.754 0.301 -7.439 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD12 . . . . . . . . . rr_1jdk 1
. 4 . 743 . 1 1 10 ILE HD13 H 3.547 0.020 -6.174 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD13 . . . . . . . . . rr_1jdk 1
. 4 . 744 . 1 1 10 ILE HG12 H 6.587 0.126 -5.962 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG12 . . . . . . . . . rr_1jdk 1
. 4 . 745 . 1 1 10 ILE HG13 H 5.585 -1.251 -5.565 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG13 . . . . . . . . . rr_1jdk 1
. 4 . 746 . 1 1 10 ILE HG21 H 7.873 0.374 -4.029 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG21 . . . . . . . . . rr_1jdk 1
. 4 . 747 . 1 1 10 ILE HG22 H 7.200 0.319 -2.396 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG22 . . . . . . . . . rr_1jdk 1
. 4 . 748 . 1 1 10 ILE HG23 H 7.224 -1.156 -3.391 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG23 . . . . . . . . . rr_1jdk 1
. 4 . 749 . 1 1 10 ILE N N 4.219 -1.651 -3.158 . . . 1.0 . . . . . . . . . . . . A . 10 ILE N . . . . . . . . . rr_1jdk 1
. 4 . 750 . 1 1 10 ILE O O 2.559 0.778 -4.085 . . . 1.0 . . . . . . . . . . . . A . 10 ILE O . . . . . . . . . rr_1jdk 1
. 4 . 751 . 1 1 11 . C C 1.684 3.261 -1.855 . . . 1.0 . . . . . . . . . . . . A . 11 DAB C . . . . . . . . . rr_1jdk 1
. 4 . 752 . 1 1 11 . CA C 1.404 1.743 -1.680 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CA . . . . . . . . . rr_1jdk 1
. 4 . 753 . 1 1 11 . CB C 0.748 1.388 -0.311 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CB . . . . . . . . . rr_1jdk 1
. 4 . 754 . 1 1 11 . CG C -0.755 1.726 -0.138 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CG . . . . . . . . . rr_1jdk 1
. 4 . 755 . 1 1 11 . H H 3.327 0.844 -1.070 . . . 1.0 . . . . . . . . . . . . A . 11 DAB H . . . . . . . . . rr_1jdk 1
. 4 . 756 . 1 1 11 . HA H 0.692 1.392 -2.452 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HA . . . . . . . . . rr_1jdk 1
. 4 . 757 . 1 1 11 . HB2 H 0.830 0.294 -0.157 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HB2 . . . . . . . . . rr_1jdk 1
. 4 . 758 . 1 1 11 . HB3 H 1.331 1.823 0.525 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HB3 . . . . . . . . . rr_1jdk 1
. 4 . 759 . 1 1 11 . HD2 H -0.497 3.886 -0.524 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HD2 . . . . . . . . . rr_1jdk 1
. 4 . 760 . 1 1 11 . HG2 H -1.336 1.285 -0.970 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HG2 . . . . . . . . . rr_1jdk 1
. 4 . 761 . 1 1 11 . HG3 H -1.113 1.202 0.771 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HG3 . . . . . . . . . rr_1jdk 1
. 4 . 762 . 1 1 11 . N N 2.683 0.995 -1.844 . . . 1.0 . . . . . . . . . . . . A . 11 DAB N . . . . . . . . . rr_1jdk 1
. 4 . 763 . 1 1 11 . ND N -1.061 3.175 -0.044 . . . 1.0 . . . . . . . . . . . . A . 11 DAB ND . . . . . . . . . rr_1jdk 1
. 4 . 764 . 1 1 11 . O O 2.050 3.969 -0.911 . . . 1.0 . . . . . . . . . . . . A . 11 DAB O . . . . . . . . . rr_1jdk 1
. 4 . 765 . 1 1 12 THR C C 0.409 5.667 -4.145 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_1jdk 1
. 4 . 766 . 1 1 12 THR CA C 1.723 5.141 -3.492 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_1jdk 1
. 4 . 767 . 1 1 12 THR CB C 3.049 5.285 -4.311 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_1jdk 1
. 4 . 768 . 1 1 12 THR CG2 C 3.417 6.739 -4.654 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_1jdk 1
. 4 . 769 . 1 1 12 THR H H 1.299 2.965 -3.756 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_1jdk 1
. 4 . 770 . 1 1 12 THR HA H 1.863 5.760 -2.584 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_1jdk 1
. 4 . 771 . 1 1 12 THR HB H 2.961 4.714 -5.256 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_1jdk 1
. 4 . 772 . 1 1 12 THR HG1 H 4.929 4.921 -4.109 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG1 . . . . . . . . . rr_1jdk 1
. 4 . 773 . 1 1 12 THR HG21 H 2.641 7.230 -5.266 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_1jdk 1
. 4 . 774 . 1 1 12 THR HG22 H 3.554 7.352 -3.743 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_1jdk 1
. 4 . 775 . 1 1 12 THR HG23 H 4.360 6.791 -5.228 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_1jdk 1
. 4 . 776 . 1 1 12 THR N N 1.500 3.723 -3.097 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_1jdk 1
. 4 . 777 . 1 1 12 THR O O -0.424 6.219 -3.422 . . . 1.0 . . . . . . . . . . . . A . 12 THR O . . . . . . . . . rr_1jdk 1
. 4 . 778 . 1 1 12 THR OG1 O 4.148 4.753 -3.577 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_1jdk 1
. 4 . 779 . 1 1 13 THR C C -1.134 5.249 -7.555 . . . 1.0 . . . . . . . . . . . . A . 13 THR C . . . . . . . . . rr_1jdk 1
. 4 . 780 . 1 1 13 THR CA C -1.007 5.991 -6.187 . . . 1.0 . . . . . . . . . . . . A . 13 THR CA . . . . . . . . . rr_1jdk 1
. 4 . 781 . 1 1 13 THR CB C -1.025 7.552 -6.331 . . . 1.0 . . . . . . . . . . . . A . 13 THR CB . . . . . . . . . rr_1jdk 1
. 4 . 782 . 1 1 13 THR CG2 C 0.039 8.193 -7.244 . . . 1.0 . . . . . . . . . . . . A . 13 THR CG2 . . . . . . . . . rr_1jdk 1
. 4 . 783 . 1 1 13 THR H H 0.975 5.038 -5.967 . . . 1.0 . . . . . . . . . . . . A . 13 THR H . . . . . . . . . rr_1jdk 1
. 4 . 784 . 1 1 13 THR HA H -1.883 5.719 -5.562 . . . 1.0 . . . . . . . . . . . . A . 13 THR HA . . . . . . . . . rr_1jdk 1
. 4 . 785 . 1 1 13 THR HB H -0.891 7.995 -5.325 . . . 1.0 . . . . . . . . . . . . A . 13 THR HB . . . . . . . . . rr_1jdk 1
. 4 . 786 . 1 1 13 THR HG1 H -2.888 7.922 -6.038 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG1 . . . . . . . . . rr_1jdk 1
. 4 . 787 . 1 1 13 THR HG21 H -0.025 9.295 -7.219 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG21 . . . . . . . . . rr_1jdk 1
. 4 . 788 . 1 1 13 THR HG22 H 1.063 7.918 -6.937 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG22 . . . . . . . . . rr_1jdk 1
. 4 . 789 . 1 1 13 THR HG23 H -0.086 7.886 -8.299 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG23 . . . . . . . . . rr_1jdk 1
. 4 . 790 . 1 1 13 THR N N 0.210 5.508 -5.471 . . . 1.0 . . . . . . . . . . . . A . 13 THR N . . . . . . . . . rr_1jdk 1
. 4 . 791 . 1 1 13 THR O O -0.157 5.159 -8.309 . . . 1.0 . . . . . . . . . . . . A . 13 THR O . . . . . . . . . rr_1jdk 1
. 4 . 792 . 1 1 13 THR OG1 O -2.298 7.978 -6.794 . . . 1.0 . . . . . . . . . . . . A . 13 THR OG1 . . . . . . . . . rr_1jdk 1
. 4 . 793 . 1 1 14 ALA C C -3.208 4.981 -10.194 . . . 1.0 . . . . . . . . . . . . A . 14 ALA C . . . . . . . . . rr_1jdk 1
. 4 . 794 . 1 1 14 ALA CA C -2.582 4.017 -9.162 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CA . . . . . . . . . rr_1jdk 1
. 4 . 795 . 1 1 14 ALA CB C -3.456 2.774 -8.910 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CB . . . . . . . . . rr_1jdk 1
. 4 . 796 . 1 1 14 ALA H H -3.083 4.881 -7.193 . . . 1.0 . . . . . . . . . . . . A . 14 ALA H . . . . . . . . . rr_1jdk 1
. 4 . 797 . 1 1 14 ALA HXT H -2.654 6.264 -11.532 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HXT . . . . . . . . . rr_1jdk 1
. 4 . 798 . 1 1 14 ALA HA H -1.632 3.639 -9.587 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HA . . . . . . . . . rr_1jdk 1
. 4 . 799 . 1 1 14 ALA HB1 H -4.440 3.034 -8.473 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB1 . . . . . . . . . rr_1jdk 1
. 4 . 800 . 1 1 14 ALA HB2 H -3.654 2.222 -9.846 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB2 . . . . . . . . . rr_1jdk 1
. 4 . 801 . 1 1 14 ALA HB3 H -2.965 2.063 -8.221 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB3 . . . . . . . . . rr_1jdk 1
. 4 . 802 . 1 1 14 ALA N N -2.337 4.733 -7.883 . . . 1.0 . . . . . . . . . . . . A . 14 ALA N . . . . . . . . . rr_1jdk 1
. 4 . 803 . 1 1 14 ALA O O -4.418 5.151 -10.345 . . . 1.0 . . . . . . . . . . . . A . 14 ALA O . . . . . . . . . rr_1jdk 1
. 4 . 804 . 1 1 14 ALA OXT O -2.253 5.640 -10.922 . . . 1.0 . . . . . . . . . . . . A . 14 ALA OXT . . . . . . . . . rr_1jdk 1
. 5 . 805 . 1 1 1 ACE C C 5.067 2.614 -10.047 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . rr_1jdk 1
. 5 . 806 . 1 1 1 ACE CH3 C 5.507 1.163 -9.894 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . rr_1jdk 1
. 5 . 807 . 1 1 1 ACE H1 H 6.605 1.088 -9.797 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . rr_1jdk 1
. 5 . 808 . 1 1 1 ACE H2 H 5.067 0.708 -8.989 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . rr_1jdk 1
. 5 . 809 . 1 1 1 ACE H3 H 5.213 0.548 -10.765 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . rr_1jdk 1
. 5 . 810 . 1 1 1 ACE O O 5.882 3.531 -9.919 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . rr_1jdk 1
. 5 . 811 . 1 1 2 ILE C C 1.688 4.069 -9.992 . . . 1.0 . . . . . . . . . . . . A . 2 ILE C . . . . . . . . . rr_1jdk 1
. 5 . 812 . 1 1 2 ILE CA C 3.157 4.143 -10.516 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CA . . . . . . . . . rr_1jdk 1
. 5 . 813 . 1 1 2 ILE CB C 3.376 4.695 -11.981 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CB . . . . . . . . . rr_1jdk 1
. 5 . 814 . 1 1 2 ILE CD1 C 4.461 7.005 -11.526 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CD1 . . . . . . . . . rr_1jdk 1
. 5 . 815 . 1 1 2 ILE CG1 C 3.247 6.242 -12.079 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG1 . . . . . . . . . rr_1jdk 1
. 5 . 816 . 1 1 2 ILE CG2 C 2.536 4.033 -13.104 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG2 . . . . . . . . . rr_1jdk 1
. 5 . 817 . 1 1 2 ILE H H 3.225 1.929 -10.366 . . . 1.0 . . . . . . . . . . . . A . 2 ILE H . . . . . . . . . rr_1jdk 1
. 5 . 818 . 1 1 2 ILE HA H 3.695 4.839 -9.845 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HA . . . . . . . . . rr_1jdk 1
. 5 . 819 . 1 1 2 ILE HB H 4.424 4.464 -12.256 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HB . . . . . . . . . rr_1jdk 1
. 5 . 820 . 1 1 2 ILE HD11 H 5.394 6.705 -12.040 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD11 . . . . . . . . . rr_1jdk 1
. 5 . 821 . 1 1 2 ILE HD12 H 4.346 8.094 -11.670 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD12 . . . . . . . . . rr_1jdk 1
. 5 . 822 . 1 1 2 ILE HD13 H 4.609 6.830 -10.446 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD13 . . . . . . . . . rr_1jdk 1
. 5 . 823 . 1 1 2 ILE HG12 H 3.131 6.553 -13.135 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG12 . . . . . . . . . rr_1jdk 1
. 5 . 824 . 1 1 2 ILE HG13 H 2.322 6.585 -11.578 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG13 . . . . . . . . . rr_1jdk 1
. 5 . 825 . 1 1 2 ILE HG21 H 2.886 4.341 -14.109 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG21 . . . . . . . . . rr_1jdk 1
. 5 . 826 . 1 1 2 ILE HG22 H 2.596 2.931 -13.073 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG22 . . . . . . . . . rr_1jdk 1
. 5 . 827 . 1 1 2 ILE HG23 H 1.466 4.310 -13.051 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG23 . . . . . . . . . rr_1jdk 1
. 5 . 828 . 1 1 2 ILE N N 3.770 2.796 -10.331 . . . 1.0 . . . . . . . . . . . . A . 2 ILE N . . . . . . . . . rr_1jdk 1
. 5 . 829 . 1 1 2 ILE O O 0.795 3.589 -10.698 . . . 1.0 . . . . . . . . . . . . A . 2 ILE O . . . . . . . . . rr_1jdk 1
. 5 . 830 . 1 1 3 TRP C C -0.131 5.742 -7.227 . . . 1.0 . . . . . . . . . . . . A . 3 TRP C . . . . . . . . . rr_1jdk 1
. 5 . 831 . 1 1 3 TRP CA C 0.077 4.475 -8.119 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CA . . . . . . . . . rr_1jdk 1
. 5 . 832 . 1 1 3 TRP CB C -0.154 3.183 -7.253 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CB . . . . . . . . . rr_1jdk 1
. 5 . 833 . 1 1 3 TRP CD1 C -0.199 1.035 -8.814 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD1 . . . . . . . . . rr_1jdk 1
. 5 . 834 . 1 1 3 TRP CD2 C 1.466 1.151 -7.348 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD2 . . . . . . . . . rr_1jdk 1
. 5 . 835 . 1 1 3 TRP CE2 C 1.607 -0.024 -8.124 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE2 . . . . . . . . . rr_1jdk 1
. 5 . 836 . 1 1 3 TRP CE3 C 2.403 1.463 -6.336 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE3 . . . . . . . . . rr_1jdk 1
. 5 . 837 . 1 1 3 TRP CG C 0.343 1.826 -7.778 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CG . . . . . . . . . rr_1jdk 1
. 5 . 838 . 1 1 3 TRP CH2 C 3.607 -0.581 -6.879 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CH2 . . . . . . . . . rr_1jdk 1
. 5 . 839 . 1 1 3 TRP CZ2 C 2.698 -0.898 -7.892 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ2 . . . . . . . . . rr_1jdk 1
. 5 . 840 . 1 1 3 TRP CZ3 C 3.461 0.582 -6.112 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ3 . . . . . . . . . rr_1jdk 1
. 5 . 841 . 1 1 3 TRP H H 2.244 4.834 -8.195 . . . 1.0 . . . . . . . . . . . . A . 3 TRP H . . . . . . . . . rr_1jdk 1
. 5 . 842 . 1 1 3 TRP HA H -0.690 4.489 -8.920 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HA . . . . . . . . . rr_1jdk 1
. 5 . 843 . 1 1 3 TRP HB2 H 0.296 3.321 -6.250 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB2 . . . . . . . . . rr_1jdk 1
. 5 . 844 . 1 1 3 TRP HB3 H -1.228 3.072 -7.030 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB3 . . . . . . . . . rr_1jdk 1
. 5 . 845 . 1 1 3 TRP HD1 H -1.080 1.291 -9.385 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HD1 . . . . . . . . . rr_1jdk 1
. 5 . 846 . 1 1 3 TRP HE1 H 0.421 -0.855 -9.744 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE1 . . . . . . . . . rr_1jdk 1
. 5 . 847 . 1 1 3 TRP HE3 H 2.276 2.367 -5.756 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE3 . . . . . . . . . rr_1jdk 1
. 5 . 848 . 1 1 3 TRP HH2 H 4.442 -1.240 -6.695 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HH2 . . . . . . . . . rr_1jdk 1
. 5 . 849 . 1 1 3 TRP HZ2 H 2.823 -1.796 -8.480 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ2 . . . . . . . . . rr_1jdk 1
. 5 . 850 . 1 1 3 TRP HZ3 H 4.174 0.803 -5.334 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ3 . . . . . . . . . rr_1jdk 1
. 5 . 851 . 1 1 3 TRP N N 1.437 4.511 -8.740 . . . 1.0 . . . . . . . . . . . . A . 3 TRP N . . . . . . . . . rr_1jdk 1
. 5 . 852 . 1 1 3 TRP NE1 N 0.576 -0.120 -9.046 . . . 1.0 . . . . . . . . . . . . A . 3 TRP NE1 . . . . . . . . . rr_1jdk 1
. 5 . 853 . 1 1 3 TRP O O 0.824 6.373 -6.759 . . . 1.0 . . . . . . . . . . . . A . 3 TRP O . . . . . . . . . rr_1jdk 1
. 5 . 854 . 1 1 4 GLY C C -1.642 6.808 -4.612 . . . 1.0 . . . . . . . . . . . . A . 4 GLY C . . . . . . . . . rr_1jdk 1
. 5 . 855 . 1 1 4 GLY CA C -1.733 7.270 -6.086 . . . 1.0 . . . . . . . . . . . . A . 4 GLY CA . . . . . . . . . rr_1jdk 1
. 5 . 856 . 1 1 4 GLY H H -2.109 5.542 -7.449 . . . 1.0 . . . . . . . . . . . . A . 4 GLY H . . . . . . . . . rr_1jdk 1
. 5 . 857 . 1 1 4 GLY HA2 H -1.049 8.130 -6.250 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA2 . . . . . . . . . rr_1jdk 1
. 5 . 858 . 1 1 4 GLY HA3 H -2.743 7.666 -6.309 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA3 . . . . . . . . . rr_1jdk 1
. 5 . 859 . 1 1 4 GLY N N -1.400 6.121 -6.983 . . . 1.0 . . . . . . . . . . . . A . 4 GLY N . . . . . . . . . rr_1jdk 1
. 5 . 860 . 1 1 4 GLY O O -0.686 7.148 -3.913 . . . 1.0 . . . . . . . . . . . . A . 4 GLY O . . . . . . . . . rr_1jdk 1
. 5 . 861 . 1 1 5 GLU C C -3.553 4.162 -2.960 . . . 1.0 . . . . . . . . . . . . A . 5 GLU C . . . . . . . . . rr_1jdk 1
. 5 . 862 . 1 1 5 GLU CA C -2.683 5.445 -2.805 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CA . . . . . . . . . rr_1jdk 1
. 5 . 863 . 1 1 5 GLU CB C -3.187 6.416 -1.693 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CB . . . . . . . . . rr_1jdk 1
. 5 . 864 . 1 1 5 GLU CD C -2.389 4.884 0.297 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CD . . . . . . . . . rr_1jdk 1
. 5 . 865 . 1 1 5 GLU CG C -2.478 6.300 -0.317 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CG . . . . . . . . . rr_1jdk 1
. 5 . 866 . 1 1 5 GLU H H -3.378 5.841 -4.859 . . . 1.0 . . . . . . . . . . . . A . 5 GLU H . . . . . . . . . rr_1jdk 1
. 5 . 867 . 1 1 5 GLU HA H -1.645 5.154 -2.544 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HA . . . . . . . . . rr_1jdk 1
. 5 . 868 . 1 1 5 GLU HB2 H -3.058 7.465 -2.025 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB2 . . . . . . . . . rr_1jdk 1
. 5 . 869 . 1 1 5 GLU HB3 H -4.280 6.320 -1.552 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB3 . . . . . . . . . rr_1jdk 1
. 5 . 870 . 1 1 5 GLU HG2 H -1.475 6.761 -0.396 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG2 . . . . . . . . . rr_1jdk 1
. 5 . 871 . 1 1 5 GLU HG3 H -3.014 6.952 0.400 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG3 . . . . . . . . . rr_1jdk 1
. 5 . 872 . 1 1 5 GLU N N -2.647 6.035 -4.167 . . . 1.0 . . . . . . . . . . . . A . 5 GLU N . . . . . . . . . rr_1jdk 1
. 5 . 873 . 1 1 5 GLU O O -4.785 4.251 -3.000 . . . 1.0 . . . . . . . . . . . . A . 5 GLU O . . . . . . . . . rr_1jdk 1
. 5 . 874 . 1 1 5 GLU OE1 O -3.398 4.356 0.770 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE1 . . . . . . . . . rr_1jdk 1
. 5 . 875 . 1 1 6 SER C C -3.001 0.555 -2.415 . . . 1.0 . . . . . . . . . . . . A . 6 SER C . . . . . . . . . rr_1jdk 1
. 5 . 876 . 1 1 6 SER CA C -3.647 1.687 -3.269 . . . 1.0 . . . . . . . . . . . . A . 6 SER CA . . . . . . . . . rr_1jdk 1
. 5 . 877 . 1 1 6 SER CB C -3.887 1.417 -4.785 . . . 1.0 . . . . . . . . . . . . A . 6 SER CB . . . . . . . . . rr_1jdk 1
. 5 . 878 . 1 1 6 SER H H -1.896 3.028 -2.948 . . . 1.0 . . . . . . . . . . . . A . 6 SER H . . . . . . . . . rr_1jdk 1
. 5 . 879 . 1 1 6 SER HA H -4.661 1.786 -2.832 . . . 1.0 . . . . . . . . . . . . A . 6 SER HA . . . . . . . . . rr_1jdk 1
. 5 . 880 . 1 1 6 SER HB2 H -4.494 0.500 -4.922 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB2 . . . . . . . . . rr_1jdk 1
. 5 . 881 . 1 1 6 SER HB3 H -4.491 2.228 -5.237 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB3 . . . . . . . . . rr_1jdk 1
. 5 . 882 . 1 1 6 SER HG H -2.160 2.078 -5.323 . . . 1.0 . . . . . . . . . . . . A . 6 SER HG . . . . . . . . . rr_1jdk 1
. 5 . 883 . 1 1 6 SER N N -2.916 2.978 -3.086 . . . 1.0 . . . . . . . . . . . . A . 6 SER N . . . . . . . . . rr_1jdk 1
. 5 . 884 . 1 1 6 SER O O -3.047 0.649 -1.184 . . . 1.0 . . . . . . . . . . . . A . 6 SER O . . . . . . . . . rr_1jdk 1
. 5 . 885 . 1 1 6 SER OG O -2.665 1.281 -5.506 . . . 1.0 . . . . . . . . . . . . A . 6 SER OG . . . . . . . . . rr_1jdk 1
. 5 . 886 . 1 1 7 GLY C C -1.364 -2.782 -3.136 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . rr_1jdk 1
. 5 . 887 . 1 1 7 GLY CA C -1.823 -1.616 -2.246 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . rr_1jdk 1
. 5 . 888 . 1 1 7 GLY H H -2.499 -0.525 -4.041 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . rr_1jdk 1
. 5 . 889 . 1 1 7 GLY HA2 H -0.982 -1.228 -1.636 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . rr_1jdk 1
. 5 . 890 . 1 1 7 GLY HA3 H -2.554 -2.008 -1.511 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . rr_1jdk 1
. 5 . 891 . 1 1 7 GLY N N -2.437 -0.512 -3.016 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . rr_1jdk 1
. 5 . 892 . 1 1 7 GLY O O -2.135 -3.710 -3.393 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . rr_1jdk 1
. 5 . 893 . 1 1 8 LYS C C 1.877 -4.088 -3.738 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . rr_1jdk 1
. 5 . 894 . 1 1 8 LYS CA C 0.527 -3.763 -4.443 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . rr_1jdk 1
. 5 . 895 . 1 1 8 LYS CB C 0.555 -3.289 -5.926 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . rr_1jdk 1
. 5 . 896 . 1 1 8 LYS CD C 0.449 -5.631 -7.133 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . rr_1jdk 1
. 5 . 897 . 1 1 8 LYS CE C -0.980 -5.537 -7.701 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . rr_1jdk 1
. 5 . 898 . 1 1 8 LYS CG C 1.161 -4.271 -6.958 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . rr_1jdk 1
. 5 . 899 . 1 1 8 LYS H H 0.410 -1.875 -3.305 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . rr_1jdk 1
. 5 . 900 . 1 1 8 LYS HA H -0.077 -4.692 -4.407 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . rr_1jdk 1
. 5 . 901 . 1 1 8 LYS HB2 H -0.473 -3.032 -6.247 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . rr_1jdk 1
. 5 . 902 . 1 1 8 LYS HB3 H 1.106 -2.333 -5.992 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . rr_1jdk 1
. 5 . 903 . 1 1 8 LYS HD2 H 1.069 -6.254 -7.806 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . rr_1jdk 1
. 5 . 904 . 1 1 8 LYS HD3 H 0.442 -6.174 -6.169 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . rr_1jdk 1
. 5 . 905 . 1 1 8 LYS HE2 H -1.630 -4.956 -7.022 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . rr_1jdk 1
. 5 . 906 . 1 1 8 LYS HE3 H -0.977 -4.998 -8.668 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . rr_1jdk 1
. 5 . 907 . 1 1 8 LYS HG2 H 1.208 -3.765 -7.941 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . rr_1jdk 1
. 5 . 908 . 1 1 8 LYS HG3 H 2.219 -4.458 -6.694 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . rr_1jdk 1
. 5 . 909 . 1 1 8 LYS HZ1 H -1.006 -7.416 -8.566 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . rr_1jdk 1
. 5 . 910 . 1 1 8 LYS HZ2 H -2.501 -6.805 -8.304 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . rr_1jdk 1
. 5 . 911 . 1 1 8 LYS N N -0.104 -2.715 -3.593 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . rr_1jdk 1
. 5 . 912 . 1 1 8 LYS NZ N -1.563 -6.878 -7.893 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . rr_1jdk 1
. 5 . 913 . 1 1 8 LYS O O 1.935 -5.051 -2.966 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . rr_1jdk 1
. 5 . 914 . 1 1 9 LEU C C 4.258 -2.416 -2.145 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . rr_1jdk 1
. 5 . 915 . 1 1 9 LEU CA C 4.263 -3.454 -3.314 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . rr_1jdk 1
. 5 . 916 . 1 1 9 LEU CB C 5.413 -3.341 -4.358 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . rr_1jdk 1
. 5 . 917 . 1 1 9 LEU CD1 C 7.133 -4.951 -3.293 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . rr_1jdk 1
. 5 . 918 . 1 1 9 LEU CD2 C 7.887 -3.180 -4.918 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . rr_1jdk 1
. 5 . 919 . 1 1 9 LEU CG C 6.860 -3.529 -3.824 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . rr_1jdk 1
. 5 . 920 . 1 1 9 LEU H H 2.758 -2.535 -4.648 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . rr_1jdk 1
. 5 . 921 . 1 1 9 LEU HA H 4.335 -4.463 -2.863 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . rr_1jdk 1
. 5 . 922 . 1 1 9 LEU HB2 H 5.237 -4.072 -5.172 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . rr_1jdk 1
. 5 . 923 . 1 1 9 LEU HB3 H 5.344 -2.354 -4.852 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . rr_1jdk 1
. 5 . 924 . 1 1 9 LEU HD11 H 6.968 -5.723 -4.068 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . rr_1jdk 1
. 5 . 925 . 1 1 9 LEU HD12 H 8.173 -5.061 -2.935 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . rr_1jdk 1
. 5 . 926 . 1 1 9 LEU HD13 H 6.481 -5.202 -2.436 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . rr_1jdk 1
. 5 . 927 . 1 1 9 LEU HD21 H 7.804 -3.849 -5.796 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . rr_1jdk 1
. 5 . 928 . 1 1 9 LEU HD22 H 7.757 -2.144 -5.283 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . rr_1jdk 1
. 5 . 929 . 1 1 9 LEU HD23 H 8.925 -3.254 -4.545 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . rr_1jdk 1
. 5 . 930 . 1 1 9 LEU HG H 7.020 -2.819 -2.990 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . rr_1jdk 1
. 5 . 931 . 1 1 9 LEU N N 2.941 -3.297 -3.986 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . rr_1jdk 1
. 5 . 932 . 1 1 9 LEU O O 4.151 -2.812 -0.981 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . rr_1jdk 1
. 5 . 933 . 1 1 10 ILE C C 2.987 0.822 -1.773 . . . 1.0 . . . . . . . . . . . . A . 10 ILE C . . . . . . . . . rr_1jdk 1
. 5 . 934 . 1 1 10 ILE CA C 4.293 0.011 -1.486 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CA . . . . . . . . . rr_1jdk 1
. 5 . 935 . 1 1 10 ILE CB C 5.629 0.846 -1.469 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CB . . . . . . . . . rr_1jdk 1
. 5 . 936 . 1 1 10 ILE CD1 C 7.367 1.798 0.185 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CD1 . . . . . . . . . rr_1jdk 1
. 5 . 937 . 1 1 10 ILE CG1 C 5.899 1.427 -0.054 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CG1 . . . . . . . . . rr_1jdk 1
. 5 . 938 . 1 1 10 ILE CG2 C 5.788 1.970 -2.539 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CG2 . . . . . . . . . rr_1jdk 1
. 5 . 939 . 1 1 10 ILE H H 4.520 -0.965 -3.466 . . . 1.0 . . . . . . . . . . . . A . 10 ILE H . . . . . . . . . rr_1jdk 1
. 5 . 940 . 1 1 10 ILE HA H 4.176 -0.441 -0.480 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HA . . . . . . . . . rr_1jdk 1
. 5 . 941 . 1 1 10 ILE HB H 6.448 0.123 -1.659 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HB . . . . . . . . . rr_1jdk 1
. 5 . 942 . 1 1 10 ILE HD11 H 7.523 2.126 1.226 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD11 . . . . . . . . . rr_1jdk 1
. 5 . 943 . 1 1 10 ILE HD12 H 8.027 0.930 -0.002 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD12 . . . . . . . . . rr_1jdk 1
. 5 . 944 . 1 1 10 ILE HD13 H 7.691 2.617 -0.482 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD13 . . . . . . . . . rr_1jdk 1
. 5 . 945 . 1 1 10 ILE HG12 H 5.248 2.301 0.141 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG12 . . . . . . . . . rr_1jdk 1
. 5 . 946 . 1 1 10 ILE HG13 H 5.630 0.688 0.724 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG13 . . . . . . . . . rr_1jdk 1
. 5 . 947 . 1 1 10 ILE HG21 H 5.128 2.839 -2.354 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG21 . . . . . . . . . rr_1jdk 1
. 5 . 948 . 1 1 10 ILE HG22 H 6.816 2.384 -2.571 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG22 . . . . . . . . . rr_1jdk 1
. 5 . 949 . 1 1 10 ILE HG23 H 5.577 1.618 -3.562 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG23 . . . . . . . . . rr_1jdk 1
. 5 . 950 . 1 1 10 ILE N N 4.351 -1.108 -2.468 . . . 1.0 . . . . . . . . . . . . A . 10 ILE N . . . . . . . . . rr_1jdk 1
. 5 . 951 . 1 1 10 ILE O O 2.659 1.083 -2.938 . . . 1.0 . . . . . . . . . . . . A . 10 ILE O . . . . . . . . . rr_1jdk 1
. 5 . 952 . 1 1 11 . C C 1.030 3.265 -1.816 . . . 1.0 . . . . . . . . . . . . A . 11 DAB C . . . . . . . . . rr_1jdk 1
. 5 . 953 . 1 1 11 . CA C 0.986 2.029 -0.854 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CA . . . . . . . . . rr_1jdk 1
. 5 . 954 . 1 1 11 . CB C 0.477 2.390 0.578 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CB . . . . . . . . . rr_1jdk 1
. 5 . 955 . 1 1 11 . CG C -0.980 2.896 0.731 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CG . . . . . . . . . rr_1jdk 1
. 5 . 956 . 1 1 11 . H H 2.540 0.852 0.191 . . . 1.0 . . . . . . . . . . . . A . 11 DAB H . . . . . . . . . rr_1jdk 1
. 5 . 957 . 1 1 11 . HA H 0.238 1.331 -1.284 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HA . . . . . . . . . rr_1jdk 1
. 5 . 958 . 1 1 11 . HB2 H 0.542 1.483 1.211 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HB2 . . . . . . . . . rr_1jdk 1
. 5 . 959 . 1 1 11 . HB3 H 1.170 3.106 1.062 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HB3 . . . . . . . . . rr_1jdk 1
. 5 . 960 . 1 1 11 . HD2 H -0.425 4.831 -0.152 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HD2 . . . . . . . . . rr_1jdk 1
. 5 . 961 . 1 1 11 . HG2 H -1.669 2.214 0.201 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HG2 . . . . . . . . . rr_1jdk 1
. 5 . 962 . 1 1 11 . HG3 H -1.267 2.831 1.799 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HG3 . . . . . . . . . rr_1jdk 1
. 5 . 963 . 1 1 11 . N N 2.256 1.244 -0.717 . . . 1.0 . . . . . . . . . . . . A . 11 DAB N . . . . . . . . . rr_1jdk 1
. 5 . 964 . 1 1 11 . ND N -1.185 4.286 0.270 . . . 1.0 . . . . . . . . . . . . A . 11 DAB ND . . . . . . . . . rr_1jdk 1
. 5 . 965 . 1 1 11 . O O 0.145 3.377 -2.669 . . . 1.0 . . . . . . . . . . . . A . 11 DAB O . . . . . . . . . rr_1jdk 1
. 5 . 966 . 1 1 12 THR C C 2.754 5.047 -3.972 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_1jdk 1
. 5 . 967 . 1 1 12 THR CA C 2.148 5.369 -2.567 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_1jdk 1
. 5 . 968 . 1 1 12 THR CB C 2.793 6.571 -1.805 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_1jdk 1
. 5 . 969 . 1 1 12 THR CG2 C 1.945 7.119 -0.643 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_1jdk 1
. 5 . 970 . 1 1 12 THR H H 2.766 3.916 -1.022 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_1jdk 1
. 5 . 971 . 1 1 12 THR HA H 1.120 5.714 -2.790 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_1jdk 1
. 5 . 972 . 1 1 12 THR HB H 2.919 7.404 -2.523 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_1jdk 1
. 5 . 973 . 1 1 12 THR HG1 H 4.387 7.001 -0.812 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG1 . . . . . . . . . rr_1jdk 1
. 5 . 974 . 1 1 12 THR HG21 H 0.943 7.440 -0.988 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_1jdk 1
. 5 . 975 . 1 1 12 THR HG22 H 1.794 6.365 0.152 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_1jdk 1
. 5 . 976 . 1 1 12 THR HG23 H 2.423 7.999 -0.173 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_1jdk 1
. 5 . 977 . 1 1 12 THR N N 2.040 4.157 -1.706 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_1jdk 1
. 5 . 978 . 1 1 12 THR O O 1.985 4.701 -4.869 . . . 1.0 . . . . . . . . . . . . A . 12 THR O . . . . . . . . . rr_1jdk 1
. 5 . 979 . 1 1 12 THR OG1 O 4.081 6.231 -1.298 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_1jdk 1
. 5 . 980 . 1 1 13 THR C C 6.084 4.144 -5.267 . . . 1.0 . . . . . . . . . . . . A . 13 THR C . . . . . . . . . rr_1jdk 1
. 5 . 981 . 1 1 13 THR CA C 4.735 4.886 -5.499 . . . 1.0 . . . . . . . . . . . . A . 13 THR CA . . . . . . . . . rr_1jdk 1
. 5 . 982 . 1 1 13 THR CB C 4.927 6.241 -6.258 . . . 1.0 . . . . . . . . . . . . A . 13 THR CB . . . . . . . . . rr_1jdk 1
. 5 . 983 . 1 1 13 THR CG2 C 5.683 6.160 -7.596 . . . 1.0 . . . . . . . . . . . . A . 13 THR CG2 . . . . . . . . . rr_1jdk 1
. 5 . 984 . 1 1 13 THR H H 4.622 5.431 -3.353 . . . 1.0 . . . . . . . . . . . . A . 13 THR H . . . . . . . . . rr_1jdk 1
. 5 . 985 . 1 1 13 THR HA H 4.077 4.246 -6.122 . . . 1.0 . . . . . . . . . . . . A . 13 THR HA . . . . . . . . . rr_1jdk 1
. 5 . 986 . 1 1 13 THR HB H 5.475 6.951 -5.608 . . . 1.0 . . . . . . . . . . . . A . 13 THR HB . . . . . . . . . rr_1jdk 1
. 5 . 987 . 1 1 13 THR HG1 H 3.103 6.662 -5.789 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG1 . . . . . . . . . rr_1jdk 1
. 5 . 988 . 1 1 13 THR HG21 H 5.200 5.454 -8.291 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG21 . . . . . . . . . rr_1jdk 1
. 5 . 989 . 1 1 13 THR HG22 H 5.723 7.144 -8.098 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG22 . . . . . . . . . rr_1jdk 1
. 5 . 990 . 1 1 13 THR HG23 H 6.729 5.826 -7.462 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG23 . . . . . . . . . rr_1jdk 1
. 5 . 991 . 1 1 13 THR N N 4.083 5.147 -4.178 . . . 1.0 . . . . . . . . . . . . A . 13 THR N . . . . . . . . . rr_1jdk 1
. 5 . 992 . 1 1 13 THR O O 6.914 4.574 -4.456 . . . 1.0 . . . . . . . . . . . . A . 13 THR O . . . . . . . . . rr_1jdk 1
. 5 . 993 . 1 1 13 THR OG1 O 3.655 6.806 -6.562 . . . 1.0 . . . . . . . . . . . . A . 13 THR OG1 . . . . . . . . . rr_1jdk 1
. 5 . 994 . 1 1 14 ALA C C 8.636 2.772 -6.894 . . . 1.0 . . . . . . . . . . . . A . 14 ALA C . . . . . . . . . rr_1jdk 1
. 5 . 995 . 1 1 14 ALA CA C 7.554 2.243 -5.925 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CA . . . . . . . . . rr_1jdk 1
. 5 . 996 . 1 1 14 ALA CB C 7.234 0.756 -6.165 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CB . . . . . . . . . rr_1jdk 1
. 5 . 997 . 1 1 14 ALA H H 5.559 2.812 -6.678 . . . 1.0 . . . . . . . . . . . . A . 14 ALA H . . . . . . . . . rr_1jdk 1
. 5 . 998 . 1 1 14 ALA HXT H 8.965 3.012 -8.790 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HXT . . . . . . . . . rr_1jdk 1
. 5 . 999 . 1 1 14 ALA HA H 7.969 2.310 -4.899 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HA . . . . . . . . . rr_1jdk 1
. 5 . 1000 . 1 1 14 ALA HB1 H 6.778 0.576 -7.156 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB1 . . . . . . . . . rr_1jdk 1
. 5 . 1001 . 1 1 14 ALA HB2 H 8.147 0.134 -6.109 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB2 . . . . . . . . . rr_1jdk 1
. 5 . 1002 . 1 1 14 ALA HB3 H 6.538 0.357 -5.405 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB3 . . . . . . . . . rr_1jdk 1
. 5 . 1003 . 1 1 14 ALA N N 6.308 3.047 -6.018 . . . 1.0 . . . . . . . . . . . . A . 14 ALA N . . . . . . . . . rr_1jdk 1
. 5 . 1004 . 1 1 14 ALA O O 9.706 3.243 -6.510 . . . 1.0 . . . . . . . . . . . . A . 14 ALA O . . . . . . . . . rr_1jdk 1
. 5 . 1005 . 1 1 14 ALA OXT O 8.280 2.663 -8.216 . . . 1.0 . . . . . . . . . . . . A . 14 ALA OXT . . . . . . . . . rr_1jdk 1
. 6 . 1006 . 1 1 1 ACE C C -4.619 16.144 1.245 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . rr_1jdk 1
. 6 . 1007 . 1 1 1 ACE CH3 C -4.313 17.633 1.116 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . rr_1jdk 1
. 6 . 1008 . 1 1 1 ACE H1 H -3.400 17.901 1.680 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . rr_1jdk 1
. 6 . 1009 . 1 1 1 ACE H2 H -4.143 17.922 0.063 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . rr_1jdk 1
. 6 . 1010 . 1 1 1 ACE H3 H -5.138 18.253 1.512 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . rr_1jdk 1
. 6 . 1011 . 1 1 1 ACE O O -3.883 15.409 1.907 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . rr_1jdk 1
. 6 . 1012 . 1 1 2 ILE C C -5.320 13.414 -0.375 . . . 1.0 . . . . . . . . . . . . A . 2 ILE C . . . . . . . . . rr_1jdk 1
. 6 . 1013 . 1 1 2 ILE CA C -6.164 14.288 0.612 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CA . . . . . . . . . rr_1jdk 1
. 6 . 1014 . 1 1 2 ILE CB C -7.726 14.099 0.473 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CB . . . . . . . . . rr_1jdk 1
. 6 . 1015 . 1 1 2 ILE CD1 C -9.703 12.815 1.569 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CD1 . . . . . . . . . rr_1jdk 1
. 6 . 1016 . 1 1 2 ILE CG1 C -8.219 12.794 1.177 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG1 . . . . . . . . . rr_1jdk 1
. 6 . 1017 . 1 1 2 ILE CG2 C -8.300 14.157 -0.974 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG2 . . . . . . . . . rr_1jdk 1
. 6 . 1018 . 1 1 2 ILE H H -6.177 16.503 0.110 . . . 1.0 . . . . . . . . . . . . A . 2 ILE H . . . . . . . . . rr_1jdk 1
. 6 . 1019 . 1 1 2 ILE HA H -5.937 13.947 1.644 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HA . . . . . . . . . rr_1jdk 1
. 6 . 1020 . 1 1 2 ILE HB H -8.198 14.928 1.036 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HB . . . . . . . . . rr_1jdk 1
. 6 . 1021 . 1 1 2 ILE HD11 H -9.983 11.898 2.114 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD11 . . . . . . . . . rr_1jdk 1
. 6 . 1022 . 1 1 2 ILE HD12 H -9.931 13.675 2.227 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD12 . . . . . . . . . rr_1jdk 1
. 6 . 1023 . 1 1 2 ILE HD13 H -10.362 12.891 0.685 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD13 . . . . . . . . . rr_1jdk 1
. 6 . 1024 . 1 1 2 ILE HG12 H -8.013 11.902 0.552 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG12 . . . . . . . . . rr_1jdk 1
. 6 . 1025 . 1 1 2 ILE HG13 H -7.652 12.613 2.109 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG13 . . . . . . . . . rr_1jdk 1
. 6 . 1026 . 1 1 2 ILE HG21 H -7.997 13.280 -1.581 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG21 . . . . . . . . . rr_1jdk 1
. 6 . 1027 . 1 1 2 ILE HG22 H -9.407 14.160 -0.989 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG22 . . . . . . . . . rr_1jdk 1
. 6 . 1028 . 1 1 2 ILE HG23 H -7.978 15.057 -1.524 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG23 . . . . . . . . . rr_1jdk 1
. 6 . 1029 . 1 1 2 ILE N N -5.715 15.723 0.593 . . . 1.0 . . . . . . . . . . . . A . 2 ILE N . . . . . . . . . rr_1jdk 1
. 6 . 1030 . 1 1 2 ILE O O -5.170 13.766 -1.551 . . . 1.0 . . . . . . . . . . . . A . 2 ILE O . . . . . . . . . rr_1jdk 1
. 6 . 1031 . 1 1 3 TRP C C -4.189 9.902 -0.196 . . . 1.0 . . . . . . . . . . . . A . 3 TRP C . . . . . . . . . rr_1jdk 1
. 6 . 1032 . 1 1 3 TRP CA C -3.955 11.355 -0.705 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CA . . . . . . . . . rr_1jdk 1
. 6 . 1033 . 1 1 3 TRP CB C -2.453 11.764 -0.650 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CB . . . . . . . . . rr_1jdk 1
. 6 . 1034 . 1 1 3 TRP CD1 C -1.342 11.419 -2.991 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD1 . . . . . . . . . rr_1jdk 1
. 6 . 1035 . 1 1 3 TRP CD2 C -0.873 9.832 -1.499 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD2 . . . . . . . . . rr_1jdk 1
. 6 . 1036 . 1 1 3 TRP CE2 C -0.294 9.499 -2.749 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE2 . . . . . . . . . rr_1jdk 1
. 6 . 1037 . 1 1 3 TRP CE3 C -0.714 8.968 -0.381 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE3 . . . . . . . . . rr_1jdk 1
. 6 . 1038 . 1 1 3 TRP CG C -1.557 11.027 -1.653 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CG . . . . . . . . . rr_1jdk 1
. 6 . 1039 . 1 1 3 TRP CH2 C 0.556 7.446 -1.792 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CH2 . . . . . . . . . rr_1jdk 1
. 6 . 1040 . 1 1 3 TRP CZ2 C 0.422 8.289 -2.898 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ2 . . . . . . . . . rr_1jdk 1
. 6 . 1041 . 1 1 3 TRP CZ3 C -0.001 7.782 -0.553 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ3 . . . . . . . . . rr_1jdk 1
. 6 . 1042 . 1 1 3 TRP H H -4.989 12.079 1.095 . . . 1.0 . . . . . . . . . . . . A . 3 TRP H . . . . . . . . . rr_1jdk 1
. 6 . 1043 . 1 1 3 TRP HA H -4.274 11.439 -1.766 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HA . . . . . . . . . rr_1jdk 1
. 6 . 1044 . 1 1 3 TRP HB2 H -2.360 12.847 -0.850 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB2 . . . . . . . . . rr_1jdk 1
. 6 . 1045 . 1 1 3 TRP HB3 H -2.055 11.625 0.372 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB3 . . . . . . . . . rr_1jdk 1
. 6 . 1046 . 1 1 3 TRP HD1 H -1.727 12.334 -3.420 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HD1 . . . . . . . . . rr_1jdk 1
. 6 . 1047 . 1 1 3 TRP HE1 H -0.290 10.494 -4.680 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE1 . . . . . . . . . rr_1jdk 1
. 6 . 1048 . 1 1 3 TRP HE3 H -1.122 9.218 0.589 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE3 . . . . . . . . . rr_1jdk 1
. 6 . 1049 . 1 1 3 TRP HH2 H 1.090 6.513 -1.893 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HH2 . . . . . . . . . rr_1jdk 1
. 6 . 1050 . 1 1 3 TRP HZ2 H 0.827 8.009 -3.856 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ2 . . . . . . . . . rr_1jdk 1
. 6 . 1051 . 1 1 3 TRP HZ3 H 0.123 7.111 0.283 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ3 . . . . . . . . . rr_1jdk 1
. 6 . 1052 . 1 1 3 TRP N N -4.777 12.282 0.115 . . . 1.0 . . . . . . . . . . . . A . 3 TRP N . . . . . . . . . rr_1jdk 1
. 6 . 1053 . 1 1 3 TRP NE1 N -0.570 10.475 -3.693 . . . 1.0 . . . . . . . . . . . . A . 3 TRP NE1 . . . . . . . . . rr_1jdk 1
. 6 . 1054 . 1 1 3 TRP O O -3.825 9.568 0.937 . . . 1.0 . . . . . . . . . . . . A . 3 TRP O . . . . . . . . . rr_1jdk 1
. 6 . 1055 . 1 1 4 GLY C C -4.758 6.747 -1.947 . . . 1.0 . . . . . . . . . . . . A . 4 GLY C . . . . . . . . . rr_1jdk 1
. 6 . 1056 . 1 1 4 GLY CA C -5.036 7.629 -0.719 . . . 1.0 . . . . . . . . . . . . A . 4 GLY CA . . . . . . . . . rr_1jdk 1
. 6 . 1057 . 1 1 4 GLY H H -5.160 9.483 -1.899 . . . 1.0 . . . . . . . . . . . . A . 4 GLY H . . . . . . . . . rr_1jdk 1
. 6 . 1058 . 1 1 4 GLY HA2 H -4.443 7.278 0.150 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA2 . . . . . . . . . rr_1jdk 1
. 6 . 1059 . 1 1 4 GLY HA3 H -6.093 7.510 -0.415 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA3 . . . . . . . . . rr_1jdk 1
. 6 . 1060 . 1 1 4 GLY N N -4.777 9.050 -1.051 . . . 1.0 . . . . . . . . . . . . A . 4 GLY N . . . . . . . . . rr_1jdk 1
. 6 . 1061 . 1 1 4 GLY O O -5.666 6.519 -2.752 . . . 1.0 . . . . . . . . . . . . A . 4 GLY O . . . . . . . . . rr_1jdk 1
. 6 . 1062 . 1 1 5 GLU C C -2.340 4.157 -2.644 . . . 1.0 . . . . . . . . . . . . A . 5 GLU C . . . . . . . . . rr_1jdk 1
. 6 . 1063 . 1 1 5 GLU CA C -3.092 5.396 -3.220 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CA . . . . . . . . . rr_1jdk 1
. 6 . 1064 . 1 1 5 GLU CB C -2.220 6.199 -4.238 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CB . . . . . . . . . rr_1jdk 1
. 6 . 1065 . 1 1 5 GLU CD C -1.885 4.302 -6.029 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CD . . . . . . . . . rr_1jdk 1
. 6 . 1066 . 1 1 5 GLU CG C -2.283 5.758 -5.722 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CG . . . . . . . . . rr_1jdk 1
. 6 . 1067 . 1 1 5 GLU H H -2.868 6.508 -1.318 . . . 1.0 . . . . . . . . . . . . A . 5 GLU H . . . . . . . . . rr_1jdk 1
. 6 . 1068 . 1 1 5 GLU HA H -3.994 5.060 -3.773 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HA . . . . . . . . . rr_1jdk 1
. 6 . 1069 . 1 1 5 GLU HB2 H -2.514 7.267 -4.226 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB2 . . . . . . . . . rr_1jdk 1
. 6 . 1070 . 1 1 5 GLU HB3 H -1.162 6.210 -3.914 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB3 . . . . . . . . . rr_1jdk 1
. 6 . 1071 . 1 1 5 GLU HG2 H -3.310 5.924 -6.099 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG2 . . . . . . . . . rr_1jdk 1
. 6 . 1072 . 1 1 5 GLU HG3 H -1.663 6.448 -6.328 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG3 . . . . . . . . . rr_1jdk 1
. 6 . 1073 . 1 1 5 GLU N N -3.508 6.261 -2.081 . . . 1.0 . . . . . . . . . . . . A . 5 GLU N . . . . . . . . . rr_1jdk 1
. 6 . 1074 . 1 1 5 GLU O O -1.269 4.295 -2.044 . . . 1.0 . . . . . . . . . . . . A . 5 GLU O . . . . . . . . . rr_1jdk 1
. 6 . 1075 . 1 1 5 GLU OE1 O -2.764 3.447 -6.160 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE1 . . . . . . . . . rr_1jdk 1
. 6 . 1076 . 1 1 6 SER C C -2.616 0.508 -3.358 . . . 1.0 . . . . . . . . . . . . A . 6 SER C . . . . . . . . . rr_1jdk 1
. 6 . 1077 . 1 1 6 SER CA C -2.317 1.670 -2.344 . . . 1.0 . . . . . . . . . . . . A . 6 SER CA . . . . . . . . . rr_1jdk 1
. 6 . 1078 . 1 1 6 SER CB C -2.775 1.363 -0.891 . . . 1.0 . . . . . . . . . . . . A . 6 SER CB . . . . . . . . . rr_1jdk 1
. 6 . 1079 . 1 1 6 SER H H -3.762 2.951 -3.407 . . . 1.0 . . . . . . . . . . . . A . 6 SER H . . . . . . . . . rr_1jdk 1
. 6 . 1080 . 1 1 6 SER HA H -1.217 1.806 -2.317 . . . 1.0 . . . . . . . . . . . . A . 6 SER HA . . . . . . . . . rr_1jdk 1
. 6 . 1081 . 1 1 6 SER HB2 H -2.256 0.466 -0.499 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB2 . . . . . . . . . rr_1jdk 1
. 6 . 1082 . 1 1 6 SER HB3 H -2.480 2.179 -0.204 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB3 . . . . . . . . . rr_1jdk 1
. 6 . 1083 . 1 1 6 SER HG H -4.591 1.961 -1.141 . . . 1.0 . . . . . . . . . . . . A . 6 SER HG . . . . . . . . . rr_1jdk 1
. 6 . 1084 . 1 1 6 SER N N -2.920 2.952 -2.819 . . . 1.0 . . . . . . . . . . . . A . 6 SER N . . . . . . . . . rr_1jdk 1
. 6 . 1085 . 1 1 6 SER O O -3.357 0.689 -4.333 . . . 1.0 . . . . . . . . . . . . A . 6 SER O . . . . . . . . . rr_1jdk 1
. 6 . 1086 . 1 1 6 SER OG O -4.183 1.158 -0.806 . . . 1.0 . . . . . . . . . . . . A . 6 SER OG . . . . . . . . . rr_1jdk 1
. 6 . 1087 . 1 1 7 GLY C C -1.479 -3.091 -3.681 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . rr_1jdk 1
. 6 . 1088 . 1 1 7 GLY CA C -2.274 -1.835 -4.068 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . rr_1jdk 1
. 6 . 1089 . 1 1 7 GLY H H -1.567 -0.841 -2.250 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . rr_1jdk 1
. 6 . 1090 . 1 1 7 GLY HA2 H -3.352 -2.090 -4.055 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . rr_1jdk 1
. 6 . 1091 . 1 1 7 GLY HA3 H -2.063 -1.537 -5.115 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . rr_1jdk 1
. 6 . 1092 . 1 1 7 GLY N N -2.033 -0.695 -3.153 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . rr_1jdk 1
. 6 . 1093 . 1 1 7 GLY O O -1.900 -3.834 -2.790 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . rr_1jdk 1
. 6 . 1094 . 1 1 8 LYS C C 1.488 -4.342 -2.892 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . rr_1jdk 1
. 6 . 1095 . 1 1 8 LYS CA C 0.523 -4.513 -4.106 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . rr_1jdk 1
. 6 . 1096 . 1 1 8 LYS CB C 1.223 -4.900 -5.445 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . rr_1jdk 1
. 6 . 1097 . 1 1 8 LYS CD C 1.282 -7.497 -5.235 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . rr_1jdk 1
. 6 . 1098 . 1 1 8 LYS CE C 2.175 -8.747 -5.315 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . rr_1jdk 1
. 6 . 1099 . 1 1 8 LYS CG C 2.077 -6.191 -5.448 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . rr_1jdk 1
. 6 . 1100 . 1 1 8 LYS H H -0.099 -2.625 -5.067 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . rr_1jdk 1
. 6 . 1101 . 1 1 8 LYS HA H -0.143 -5.365 -3.861 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . rr_1jdk 1
. 6 . 1102 . 1 1 8 LYS HB2 H 0.465 -4.992 -6.248 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . rr_1jdk 1
. 6 . 1103 . 1 1 8 LYS HB3 H 1.872 -4.065 -5.770 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . rr_1jdk 1
. 6 . 1104 . 1 1 8 LYS HD2 H 0.777 -7.465 -4.250 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . rr_1jdk 1
. 6 . 1105 . 1 1 8 LYS HD3 H 0.474 -7.562 -5.990 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . rr_1jdk 1
. 6 . 1106 . 1 1 8 LYS HE2 H 2.678 -8.804 -6.299 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . rr_1jdk 1
. 6 . 1107 . 1 1 8 LYS HE3 H 2.981 -8.697 -4.559 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . rr_1jdk 1
. 6 . 1108 . 1 1 8 LYS HG2 H 2.607 -6.250 -6.418 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . rr_1jdk 1
. 6 . 1109 . 1 1 8 LYS HG3 H 2.878 -6.110 -4.689 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . rr_1jdk 1
. 6 . 1110 . 1 1 8 LYS HZ1 H 0.637 -10.040 -5.796 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . rr_1jdk 1
. 6 . 1111 . 1 1 8 LYS HZ2 H 0.920 -9.943 -4.190 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . rr_1jdk 1
. 6 . 1112 . 1 1 8 LYS N N -0.340 -3.325 -4.357 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . rr_1jdk 1
. 6 . 1113 . 1 1 8 LYS NZ N 1.390 -9.976 -5.103 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . rr_1jdk 1
. 6 . 1114 . 1 1 8 LYS O O 1.355 -5.089 -1.918 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . rr_1jdk 1
. 6 . 1115 . 1 1 9 LEU C C 3.706 -1.645 -1.621 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . rr_1jdk 1
. 6 . 1116 . 1 1 9 LEU CA C 3.431 -3.161 -1.855 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . rr_1jdk 1
. 6 . 1117 . 1 1 9 LEU CB C 4.718 -4.003 -2.126 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . rr_1jdk 1
. 6 . 1118 . 1 1 9 LEU CD1 C 5.353 -4.675 0.287 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . rr_1jdk 1
. 6 . 1119 . 1 1 9 LEU CD2 C 7.094 -4.696 -1.536 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . rr_1jdk 1
. 6 . 1120 . 1 1 9 LEU CG C 5.816 -4.006 -1.023 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . rr_1jdk 1
. 6 . 1121 . 1 1 9 LEU H H 2.445 -2.839 -3.813 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . rr_1jdk 1
. 6 . 1122 . 1 1 9 LEU HA H 2.995 -3.533 -0.907 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . rr_1jdk 1
. 6 . 1123 . 1 1 9 LEU HB2 H 4.430 -5.053 -2.328 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . rr_1jdk 1
. 6 . 1124 . 1 1 9 LEU HB3 H 5.168 -3.654 -3.077 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . rr_1jdk 1
. 6 . 1125 . 1 1 9 LEU HD11 H 4.496 -4.143 0.739 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . rr_1jdk 1
. 6 . 1126 . 1 1 9 LEU HD12 H 5.042 -5.725 0.131 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . rr_1jdk 1
. 6 . 1127 . 1 1 9 LEU HD13 H 6.154 -4.678 1.049 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . rr_1jdk 1
. 6 . 1128 . 1 1 9 LEU HD21 H 7.488 -4.200 -2.443 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . rr_1jdk 1
. 6 . 1129 . 1 1 9 LEU HD22 H 7.905 -4.666 -0.784 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . rr_1jdk 1
. 6 . 1130 . 1 1 9 LEU HD23 H 6.922 -5.758 -1.791 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . rr_1jdk 1
. 6 . 1131 . 1 1 9 LEU HG H 6.085 -2.957 -0.792 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . rr_1jdk 1
. 6 . 1132 . 1 1 9 LEU N N 2.447 -3.394 -2.951 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . rr_1jdk 1
. 6 . 1133 . 1 1 9 LEU O O 3.498 -1.173 -0.499 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . rr_1jdk 1
. 6 . 1134 . 1 1 10 ILE C C 3.960 1.347 -3.745 . . . 1.0 . . . . . . . . . . . . A . 10 ILE C . . . . . . . . . rr_1jdk 1
. 6 . 1135 . 1 1 10 ILE CA C 4.497 0.555 -2.511 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CA . . . . . . . . . rr_1jdk 1
. 6 . 1136 . 1 1 10 ILE CB C 6.014 0.793 -2.124 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CB . . . . . . . . . rr_1jdk 1
. 6 . 1137 . 1 1 10 ILE CD1 C 5.723 2.549 -0.227 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CD1 . . . . . . . . . rr_1jdk 1
. 6 . 1138 . 1 1 10 ILE CG1 C 6.314 2.228 -1.605 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CG1 . . . . . . . . . rr_1jdk 1
. 6 . 1139 . 1 1 10 ILE CG2 C 7.084 0.439 -3.194 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CG2 . . . . . . . . . rr_1jdk 1
. 6 . 1140 . 1 1 10 ILE H H 4.218 -1.410 -3.529 . . . 1.0 . . . . . . . . . . . . A . 10 ILE H . . . . . . . . . rr_1jdk 1
. 6 . 1141 . 1 1 10 ILE HA H 3.919 0.940 -1.647 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HA . . . . . . . . . rr_1jdk 1
. 6 . 1142 . 1 1 10 ILE HB H 6.231 0.111 -1.276 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HB . . . . . . . . . rr_1jdk 1
. 6 . 1143 . 1 1 10 ILE HD11 H 6.046 3.548 0.115 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD11 . . . . . . . . . rr_1jdk 1
. 6 . 1144 . 1 1 10 ILE HD12 H 4.619 2.545 -0.237 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD12 . . . . . . . . . rr_1jdk 1
. 6 . 1145 . 1 1 10 ILE HD13 H 6.056 1.817 0.534 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD13 . . . . . . . . . rr_1jdk 1
. 6 . 1146 . 1 1 10 ILE HG12 H 7.408 2.382 -1.521 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG12 . . . . . . . . . rr_1jdk 1
. 6 . 1147 . 1 1 10 ILE HG13 H 5.979 2.981 -2.342 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG13 . . . . . . . . . rr_1jdk 1
. 6 . 1148 . 1 1 10 ILE HG21 H 8.109 0.471 -2.770 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG21 . . . . . . . . . rr_1jdk 1
. 6 . 1149 . 1 1 10 ILE HG22 H 6.954 -0.577 -3.606 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG22 . . . . . . . . . rr_1jdk 1
. 6 . 1150 . 1 1 10 ILE HG23 H 7.092 1.146 -4.045 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG23 . . . . . . . . . rr_1jdk 1
. 6 . 1151 . 1 1 10 ILE N N 4.187 -0.900 -2.641 . . . 1.0 . . . . . . . . . . . . A . 10 ILE N . . . . . . . . . rr_1jdk 1
. 6 . 1152 . 1 1 10 ILE O O 4.679 1.526 -4.733 . . . 1.0 . . . . . . . . . . . . A . 10 ILE O . . . . . . . . . rr_1jdk 1
. 6 . 1153 . 1 1 11 . C C 2.156 4.121 -4.350 . . . 1.0 . . . . . . . . . . . . A . 11 DAB C . . . . . . . . . rr_1jdk 1
. 6 . 1154 . 1 1 11 . CA C 2.090 2.629 -4.792 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CA . . . . . . . . . rr_1jdk 1
. 6 . 1155 . 1 1 11 . CB C 0.660 2.097 -5.102 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CB . . . . . . . . . rr_1jdk 1
. 6 . 1156 . 1 1 11 . CG C -0.038 2.679 -6.355 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CG . . . . . . . . . rr_1jdk 1
. 6 . 1157 . 1 1 11 . H H 2.135 1.595 -2.867 . . . 1.0 . . . . . . . . . . . . A . 11 DAB H . . . . . . . . . rr_1jdk 1
. 6 . 1158 . 1 1 11 . HA H 2.669 2.504 -5.730 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HA . . . . . . . . . rr_1jdk 1
. 6 . 1159 . 1 1 11 . HB2 H 0.723 1.001 -5.253 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HB2 . . . . . . . . . rr_1jdk 1
. 6 . 1160 . 1 1 11 . HB3 H 0.003 2.216 -4.220 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HB3 . . . . . . . . . rr_1jdk 1
. 6 . 1161 . 1 1 11 . HD2 H 0.039 4.859 -6.003 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HD2 . . . . . . . . . rr_1jdk 1
. 6 . 1162 . 1 1 11 . HG2 H 0.668 2.696 -7.207 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HG2 . . . . . . . . . rr_1jdk 1
. 6 . 1163 . 1 1 11 . HG3 H -0.835 1.979 -6.675 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HG3 . . . . . . . . . rr_1jdk 1
. 6 . 1164 . 1 1 11 . N N 2.693 1.826 -3.695 . . . 1.0 . . . . . . . . . . . . A . 11 DAB N . . . . . . . . . rr_1jdk 1
. 6 . 1165 . 1 1 11 . ND N -0.574 4.046 -6.145 . . . 1.0 . . . . . . . . . . . . A . 11 DAB ND . . . . . . . . . rr_1jdk 1
. 6 . 1166 . 1 1 11 . O O 1.219 4.650 -3.746 . . . 1.0 . . . . . . . . . . . . A . 11 DAB O . . . . . . . . . rr_1jdk 1
. 6 . 1167 . 1 1 12 THR C C 3.653 7.059 -5.604 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_1jdk 1
. 6 . 1168 . 1 1 12 THR CA C 3.532 6.205 -4.309 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_1jdk 1
. 6 . 1169 . 1 1 12 THR CB C 4.769 6.385 -3.379 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_1jdk 1
. 6 . 1170 . 1 1 12 THR CG2 C 4.564 5.845 -1.953 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_1jdk 1
. 6 . 1171 . 1 1 12 THR H H 4.048 4.164 -4.977 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_1jdk 1
. 6 . 1172 . 1 1 12 THR HA H 2.659 6.584 -3.743 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_1jdk 1
. 6 . 1173 . 1 1 12 THR HB H 4.972 7.467 -3.280 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_1jdk 1
. 6 . 1174 . 1 1 12 THR HG1 H 5.781 4.833 -3.906 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG1 . . . . . . . . . rr_1jdk 1
. 6 . 1175 . 1 1 12 THR HG21 H 4.347 4.762 -1.947 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_1jdk 1
. 6 . 1176 . 1 1 12 THR HG22 H 5.464 6.004 -1.328 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_1jdk 1
. 6 . 1177 . 1 1 12 THR HG23 H 3.723 6.350 -1.444 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_1jdk 1
. 6 . 1178 . 1 1 12 THR N N 3.291 4.776 -4.655 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_1jdk 1
. 6 . 1179 . 1 1 12 THR O O 4.321 6.677 -6.572 . . . 1.0 . . . . . . . . . . . . A . 12 THR O . . . . . . . . . rr_1jdk 1
. 6 . 1180 . 1 1 12 THR OG1 O 5.936 5.781 -3.930 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_1jdk 1
. 6 . 1181 . 1 1 13 THR C C 4.270 10.111 -6.639 . . . 1.0 . . . . . . . . . . . . A . 13 THR C . . . . . . . . . rr_1jdk 1
. 6 . 1182 . 1 1 13 THR CA C 3.014 9.192 -6.738 . . . 1.0 . . . . . . . . . . . . A . 13 THR CA . . . . . . . . . rr_1jdk 1
. 6 . 1183 . 1 1 13 THR CB C 1.669 9.986 -6.750 . . . 1.0 . . . . . . . . . . . . A . 13 THR CB . . . . . . . . . rr_1jdk 1
. 6 . 1184 . 1 1 13 THR CG2 C 1.495 10.912 -7.968 . . . 1.0 . . . . . . . . . . . . A . 13 THR CG2 . . . . . . . . . rr_1jdk 1
. 6 . 1185 . 1 1 13 THR H H 2.518 8.458 -4.718 . . . 1.0 . . . . . . . . . . . . A . 13 THR H . . . . . . . . . rr_1jdk 1
. 6 . 1186 . 1 1 13 THR HA H 3.042 8.611 -7.684 . . . 1.0 . . . . . . . . . . . . A . 13 THR HA . . . . . . . . . rr_1jdk 1
. 6 . 1187 . 1 1 13 THR HB H 1.603 10.607 -5.836 . . . 1.0 . . . . . . . . . . . . A . 13 THR HB . . . . . . . . . rr_1jdk 1
. 6 . 1188 . 1 1 13 THR HG1 H 0.584 8.638 -7.599 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG1 . . . . . . . . . rr_1jdk 1
. 6 . 1189 . 1 1 13 THR HG21 H 0.522 11.437 -7.937 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG21 . . . . . . . . . rr_1jdk 1
. 6 . 1190 . 1 1 13 THR HG22 H 2.278 11.692 -8.007 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG22 . . . . . . . . . rr_1jdk 1
. 6 . 1191 . 1 1 13 THR HG23 H 1.538 10.353 -8.921 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG23 . . . . . . . . . rr_1jdk 1
. 6 . 1192 . 1 1 13 THR N N 3.016 8.246 -5.589 . . . 1.0 . . . . . . . . . . . . A . 13 THR N . . . . . . . . . rr_1jdk 1
. 6 . 1193 . 1 1 13 THR O O 4.328 11.011 -5.794 . . . 1.0 . . . . . . . . . . . . A . 13 THR O . . . . . . . . . rr_1jdk 1
. 6 . 1194 . 1 1 13 THR OG1 O 0.555 9.096 -6.755 . . . 1.0 . . . . . . . . . . . . A . 13 THR OG1 . . . . . . . . . rr_1jdk 1
. 6 . 1195 . 1 1 14 ALA C C 6.389 11.948 -8.397 . . . 1.0 . . . . . . . . . . . . A . 14 ALA C . . . . . . . . . rr_1jdk 1
. 6 . 1196 . 1 1 14 ALA CA C 6.519 10.660 -7.551 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CA . . . . . . . . . rr_1jdk 1
. 6 . 1197 . 1 1 14 ALA CB C 7.658 9.751 -8.047 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CB . . . . . . . . . rr_1jdk 1
. 6 . 1198 . 1 1 14 ALA H H 5.112 9.055 -8.120 . . . 1.0 . . . . . . . . . . . . A . 14 ALA H . . . . . . . . . rr_1jdk 1
. 6 . 1199 . 1 1 14 ALA HXT H 5.941 10.765 -9.875 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HXT . . . . . . . . . rr_1jdk 1
. 6 . 1200 . 1 1 14 ALA HA H 6.789 10.966 -6.521 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HA . . . . . . . . . rr_1jdk 1
. 6 . 1201 . 1 1 14 ALA HB1 H 7.789 8.866 -7.396 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB1 . . . . . . . . . rr_1jdk 1
. 6 . 1202 . 1 1 14 ALA HB2 H 7.489 9.379 -9.075 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB2 . . . . . . . . . rr_1jdk 1
. 6 . 1203 . 1 1 14 ALA HB3 H 8.628 10.284 -8.051 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB3 . . . . . . . . . rr_1jdk 1
. 6 . 1204 . 1 1 14 ALA N N 5.260 9.874 -7.519 . . . 1.0 . . . . . . . . . . . . A . 14 ALA N . . . . . . . . . rr_1jdk 1
. 6 . 1205 . 1 1 14 ALA O O 6.574 13.073 -7.934 . . . 1.0 . . . . . . . . . . . . A . 14 ALA O . . . . . . . . . rr_1jdk 1
. 6 . 1206 . 1 1 14 ALA OXT O 6.049 11.703 -9.707 . . . 1.0 . . . . . . . . . . . . A . 14 ALA OXT . . . . . . . . . rr_1jdk 1
. 7 . 1207 . 1 1 1 ACE C C 4.735 3.610 0.074 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . rr_1jdk 1
. 7 . 1208 . 1 1 1 ACE CH3 C 6.129 4.005 0.555 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . rr_1jdk 1
. 7 . 1209 . 1 1 1 ACE H1 H 6.694 4.511 -0.250 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . rr_1jdk 1
. 7 . 1210 . 1 1 1 ACE H2 H 6.105 4.692 1.421 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . rr_1jdk 1
. 7 . 1211 . 1 1 1 ACE H3 H 6.706 3.110 0.851 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . rr_1jdk 1
. 7 . 1212 . 1 1 1 ACE O O 4.519 3.449 -1.127 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . rr_1jdk 1
. 7 . 1213 . 1 1 2 ILE C C 1.429 3.974 1.571 . . . 1.0 . . . . . . . . . . . . A . 2 ILE C . . . . . . . . . rr_1jdk 1
. 7 . 1214 . 1 1 2 ILE CA C 2.398 3.064 0.748 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CA . . . . . . . . . rr_1jdk 1
. 7 . 1215 . 1 1 2 ILE CB C 2.203 1.500 0.888 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CB . . . . . . . . . rr_1jdk 1
. 7 . 1216 . 1 1 2 ILE CD1 C 1.079 0.924 -1.371 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CD1 . . . . . . . . . rr_1jdk 1
. 7 . 1217 . 1 1 2 ILE CG1 C 0.945 0.955 0.155 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG1 . . . . . . . . . rr_1jdk 1
. 7 . 1218 . 1 1 2 ILE CG2 C 2.228 0.906 2.324 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG2 . . . . . . . . . rr_1jdk 1
. 7 . 1219 . 1 1 2 ILE H H 4.138 3.761 1.955 . . . 1.0 . . . . . . . . . . . . A . 2 ILE H . . . . . . . . . rr_1jdk 1
. 7 . 1220 . 1 1 2 ILE HA H 2.195 3.292 -0.319 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HA . . . . . . . . . rr_1jdk 1
. 7 . 1221 . 1 1 2 ILE HB H 3.071 1.031 0.384 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HB . . . . . . . . . rr_1jdk 1
. 7 . 1222 . 1 1 2 ILE HD11 H 0.223 0.412 -1.841 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD11 . . . . . . . . . rr_1jdk 1
. 7 . 1223 . 1 1 2 ILE HD12 H 1.130 1.937 -1.800 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD12 . . . . . . . . . rr_1jdk 1
. 7 . 1224 . 1 1 2 ILE HD13 H 1.985 0.378 -1.688 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD13 . . . . . . . . . rr_1jdk 1
. 7 . 1225 . 1 1 2 ILE HG12 H 0.736 -0.088 0.469 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG12 . . . . . . . . . rr_1jdk 1
. 7 . 1226 . 1 1 2 ILE HG13 H 0.044 1.528 0.445 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG13 . . . . . . . . . rr_1jdk 1
. 7 . 1227 . 1 1 2 ILE HG21 H 3.102 1.247 2.905 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG21 . . . . . . . . . rr_1jdk 1
. 7 . 1228 . 1 1 2 ILE HG22 H 1.320 1.157 2.904 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG22 . . . . . . . . . rr_1jdk 1
. 7 . 1229 . 1 1 2 ILE HG23 H 2.279 -0.201 2.302 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG23 . . . . . . . . . rr_1jdk 1
. 7 . 1230 . 1 1 2 ILE N N 3.812 3.457 1.033 . . . 1.0 . . . . . . . . . . . . A . 2 ILE N . . . . . . . . . rr_1jdk 1
. 7 . 1231 . 1 1 2 ILE O O 1.143 3.695 2.739 . . . 1.0 . . . . . . . . . . . . A . 2 ILE O . . . . . . . . . rr_1jdk 1
. 7 . 1232 . 1 1 3 TRP C C -0.848 6.718 0.530 . . . 1.0 . . . . . . . . . . . . A . 3 TRP C . . . . . . . . . rr_1jdk 1
. 7 . 1233 . 1 1 3 TRP CA C 0.001 6.027 1.637 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CA . . . . . . . . . rr_1jdk 1
. 7 . 1234 . 1 1 3 TRP CB C 0.635 7.025 2.655 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CB . . . . . . . . . rr_1jdk 1
. 7 . 1235 . 1 1 3 TRP CD1 C 0.989 9.599 2.228 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD1 . . . . . . . . . rr_1jdk 1
. 7 . 1236 . 1 1 3 TRP CD2 C 2.670 8.299 1.589 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD2 . . . . . . . . . rr_1jdk 1
. 7 . 1237 . 1 1 3 TRP CE2 C 3.013 9.656 1.367 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE2 . . . . . . . . . rr_1jdk 1
. 7 . 1238 . 1 1 3 TRP CE3 C 3.582 7.269 1.282 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE3 . . . . . . . . . rr_1jdk 1
. 7 . 1239 . 1 1 3 TRP CG C 1.407 8.253 2.137 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CG . . . . . . . . . rr_1jdk 1
. 7 . 1240 . 1 1 3 TRP CH2 C 5.186 8.956 0.567 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CH2 . . . . . . . . . rr_1jdk 1
. 7 . 1241 . 1 1 3 TRP CZ2 C 4.291 9.989 0.855 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ2 . . . . . . . . . rr_1jdk 1
. 7 . 1242 . 1 1 3 TRP CZ3 C 4.834 7.614 0.771 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ3 . . . . . . . . . rr_1jdk 1
. 7 . 1243 . 1 1 3 TRP H H 1.293 5.281 0.026 . . . 1.0 . . . . . . . . . . . . A . 3 TRP H . . . . . . . . . rr_1jdk 1
. 7 . 1244 . 1 1 3 TRP HA H -0.661 5.393 2.263 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HA . . . . . . . . . rr_1jdk 1
. 7 . 1245 . 1 1 3 TRP HB2 H -0.177 7.388 3.313 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB2 . . . . . . . . . rr_1jdk 1
. 7 . 1246 . 1 1 3 TRP HB3 H 1.293 6.464 3.346 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB3 . . . . . . . . . rr_1jdk 1
. 7 . 1247 . 1 1 3 TRP HD1 H 0.046 9.919 2.648 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HD1 . . . . . . . . . rr_1jdk 1
. 7 . 1248 . 1 1 3 TRP HE1 H 1.942 11.512 1.724 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE1 . . . . . . . . . rr_1jdk 1
. 7 . 1249 . 1 1 3 TRP HE3 H 3.274 6.245 1.434 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE3 . . . . . . . . . rr_1jdk 1
. 7 . 1250 . 1 1 3 TRP HH2 H 6.164 9.194 0.171 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HH2 . . . . . . . . . rr_1jdk 1
. 7 . 1251 . 1 1 3 TRP HZ2 H 4.571 11.020 0.693 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ2 . . . . . . . . . rr_1jdk 1
. 7 . 1252 . 1 1 3 TRP HZ3 H 5.542 6.841 0.522 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ3 . . . . . . . . . rr_1jdk 1
. 7 . 1253 . 1 1 3 TRP N N 0.946 5.088 0.972 . . . 1.0 . . . . . . . . . . . . A . 3 TRP N . . . . . . . . . rr_1jdk 1
. 7 . 1254 . 1 1 3 TRP NE1 N 1.973 10.486 1.748 . . . 1.0 . . . . . . . . . . . . A . 3 TRP NE1 . . . . . . . . . rr_1jdk 1
. 7 . 1255 . 1 1 3 TRP O O -0.306 7.332 -0.399 . . . 1.0 . . . . . . . . . . . . A . 3 TRP O . . . . . . . . . rr_1jdk 1
. 7 . 1256 . 1 1 4 GLY C C -3.576 6.221 -1.444 . . . 1.0 . . . . . . . . . . . . A . 4 GLY C . . . . . . . . . rr_1jdk 1
. 7 . 1257 . 1 1 4 GLY CA C -3.124 7.208 -0.343 . . . 1.0 . . . . . . . . . . . . A . 4 GLY CA . . . . . . . . . rr_1jdk 1
. 7 . 1258 . 1 1 4 GLY H H -2.460 6.020 1.433 . . . 1.0 . . . . . . . . . . . . A . 4 GLY H . . . . . . . . . rr_1jdk 1
. 7 . 1259 . 1 1 4 GLY HA2 H -4.018 7.576 0.192 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA2 . . . . . . . . . rr_1jdk 1
. 7 . 1260 . 1 1 4 GLY HA3 H -2.706 8.120 -0.818 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA3 . . . . . . . . . rr_1jdk 1
. 7 . 1261 . 1 1 4 GLY N N -2.179 6.615 0.647 . . . 1.0 . . . . . . . . . . . . A . 4 GLY N . . . . . . . . . rr_1jdk 1
. 7 . 1262 . 1 1 4 GLY O O -4.764 5.912 -1.559 . . . 1.0 . . . . . . . . . . . . A . 4 GLY O . . . . . . . . . rr_1jdk 1
. 7 . 1263 . 1 1 5 GLU C C -2.336 3.420 -2.834 . . . 1.0 . . . . . . . . . . . . A . 5 GLU C . . . . . . . . . rr_1jdk 1
. 7 . 1264 . 1 1 5 GLU CA C -2.839 4.796 -3.363 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CA . . . . . . . . . rr_1jdk 1
. 7 . 1265 . 1 1 5 GLU CB C -2.122 5.339 -4.641 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CB . . . . . . . . . rr_1jdk 1
. 7 . 1266 . 1 1 5 GLU CD C -1.489 3.276 -6.132 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CD . . . . . . . . . rr_1jdk 1
. 7 . 1267 . 1 1 5 GLU CG C -2.302 4.573 -5.975 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CG . . . . . . . . . rr_1jdk 1
. 7 . 1268 . 1 1 5 GLU H H -1.676 5.928 -1.844 . . . 1.0 . . . . . . . . . . . . A . 5 GLU H . . . . . . . . . rr_1jdk 1
. 7 . 1269 . 1 1 5 GLU HA H -3.920 4.736 -3.606 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HA . . . . . . . . . rr_1jdk 1
. 7 . 1270 . 1 1 5 GLU HB2 H -2.498 6.361 -4.845 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB2 . . . . . . . . . rr_1jdk 1
. 7 . 1271 . 1 1 5 GLU HB3 H -1.039 5.475 -4.463 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB3 . . . . . . . . . rr_1jdk 1
. 7 . 1272 . 1 1 5 GLU HG2 H -3.373 4.361 -6.147 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG2 . . . . . . . . . rr_1jdk 1
. 7 . 1273 . 1 1 5 GLU HG3 H -2.033 5.251 -6.811 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG3 . . . . . . . . . rr_1jdk 1
. 7 . 1274 . 1 1 5 GLU N N -2.606 5.766 -2.255 . . . 1.0 . . . . . . . . . . . . A . 5 GLU N . . . . . . . . . rr_1jdk 1
. 7 . 1275 . 1 1 5 GLU O O -1.128 3.231 -2.678 . . . 1.0 . . . . . . . . . . . . A . 5 GLU O . . . . . . . . . rr_1jdk 1
. 7 . 1276 . 1 1 5 GLU OE1 O -2.066 2.187 -6.093 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE1 . . . . . . . . . rr_1jdk 1
. 7 . 1277 . 1 1 6 SER C C -2.514 0.132 -3.167 . . . 1.0 . . . . . . . . . . . . A . 6 SER C . . . . . . . . . rr_1jdk 1
. 7 . 1278 . 1 1 6 SER CA C -2.843 1.121 -2.001 . . . 1.0 . . . . . . . . . . . . A . 6 SER CA . . . . . . . . . rr_1jdk 1
. 7 . 1279 . 1 1 6 SER CB C -3.758 0.613 -0.844 . . . 1.0 . . . . . . . . . . . . A . 6 SER CB . . . . . . . . . rr_1jdk 1
. 7 . 1280 . 1 1 6 SER H H -4.192 2.692 -2.884 . . . 1.0 . . . . . . . . . . . . A . 6 SER H . . . . . . . . . rr_1jdk 1
. 7 . 1281 . 1 1 6 SER HA H -1.874 1.239 -1.480 . . . 1.0 . . . . . . . . . . . . A . 6 SER HA . . . . . . . . . rr_1jdk 1
. 7 . 1282 . 1 1 6 SER HB2 H -3.399 -0.369 -0.464 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB2 . . . . . . . . . rr_1jdk 1
. 7 . 1283 . 1 1 6 SER HB3 H -3.697 1.271 0.044 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB3 . . . . . . . . . rr_1jdk 1
. 7 . 1284 . 1 1 6 SER HG H -5.419 1.373 -1.463 . . . 1.0 . . . . . . . . . . . . A . 6 SER HG . . . . . . . . . rr_1jdk 1
. 7 . 1285 . 1 1 6 SER N N -3.249 2.467 -2.532 . . . 1.0 . . . . . . . . . . . . A . 6 SER N . . . . . . . . . rr_1jdk 1
. 7 . 1286 . 1 1 6 SER O O -1.545 0.380 -3.892 . . . 1.0 . . . . . . . . . . . . A . 6 SER O . . . . . . . . . rr_1jdk 1
. 7 . 1287 . 1 1 6 SER OG O -5.115 0.486 -1.258 . . . 1.0 . . . . . . . . . . . . A . 6 SER OG . . . . . . . . . rr_1jdk 1
. 7 . 1288 . 1 1 7 GLY C C -1.876 -2.980 -4.121 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . rr_1jdk 1
. 7 . 1289 . 1 1 7 GLY CA C -2.994 -1.960 -4.429 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . rr_1jdk 1
. 7 . 1290 . 1 1 7 GLY H H -3.993 -1.117 -2.648 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . rr_1jdk 1
. 7 . 1291 . 1 1 7 GLY HA2 H -3.931 -2.516 -4.619 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . rr_1jdk 1
. 7 . 1292 . 1 1 7 GLY HA3 H -2.789 -1.438 -5.385 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . rr_1jdk 1
. 7 . 1293 . 1 1 7 GLY N N -3.255 -0.980 -3.344 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . rr_1jdk 1
. 7 . 1294 . 1 1 7 GLY O O -2.155 -4.133 -3.786 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . rr_1jdk 1
. 7 . 1295 . 1 1 8 LYS C C 1.385 -2.871 -2.751 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . rr_1jdk 1
. 7 . 1296 . 1 1 8 LYS CA C 0.600 -3.346 -4.025 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . rr_1jdk 1
. 7 . 1297 . 1 1 8 LYS CB C 1.396 -3.428 -5.368 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . rr_1jdk 1
. 7 . 1298 . 1 1 8 LYS CD C 2.744 -2.311 -7.253 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . rr_1jdk 1
. 7 . 1299 . 1 1 8 LYS CE C 3.334 -1.000 -7.799 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . rr_1jdk 1
. 7 . 1300 . 1 1 8 LYS CG C 2.006 -2.113 -5.915 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . rr_1jdk 1
. 7 . 1301 . 1 1 8 LYS H H -0.582 -1.511 -4.421 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . rr_1jdk 1
. 7 . 1302 . 1 1 8 LYS HA H 0.303 -4.388 -3.796 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . rr_1jdk 1
. 7 . 1303 . 1 1 8 LYS HB2 H 2.207 -4.172 -5.251 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . rr_1jdk 1
. 7 . 1304 . 1 1 8 LYS HB3 H 0.739 -3.869 -6.143 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . rr_1jdk 1
. 7 . 1305 . 1 1 8 LYS HD2 H 3.551 -3.058 -7.123 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . rr_1jdk 1
. 7 . 1306 . 1 1 8 LYS HD3 H 2.045 -2.745 -7.995 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . rr_1jdk 1
. 7 . 1307 . 1 1 8 LYS HE2 H 2.543 -0.236 -7.920 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . rr_1jdk 1
. 7 . 1308 . 1 1 8 LYS HE3 H 4.065 -0.582 -7.084 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . rr_1jdk 1
. 7 . 1309 . 1 1 8 LYS HG2 H 1.203 -1.364 -6.051 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . rr_1jdk 1
. 7 . 1310 . 1 1 8 LYS HG3 H 2.698 -1.680 -5.168 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . rr_1jdk 1
. 7 . 1311 . 1 1 8 LYS HZ1 H 3.328 -1.551 -9.792 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . rr_1jdk 1
. 7 . 1312 . 1 1 8 LYS HZ2 H 4.368 -0.332 -9.462 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . rr_1jdk 1
. 7 . 1313 . 1 1 8 LYS N N -0.622 -2.525 -4.268 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . rr_1jdk 1
. 7 . 1314 . 1 1 8 LYS NZ N 4.004 -1.218 -9.095 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . rr_1jdk 1
. 7 . 1315 . 1 1 8 LYS O O 0.837 -2.177 -1.887 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . rr_1jdk 1
. 7 . 1316 . 1 1 9 LEU C C 4.231 -1.521 -1.480 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . rr_1jdk 1
. 7 . 1317 . 1 1 9 LEU CA C 3.524 -2.919 -1.442 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . rr_1jdk 1
. 7 . 1318 . 1 1 9 LEU CB C 4.482 -4.104 -1.117 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . rr_1jdk 1
. 7 . 1319 . 1 1 9 LEU CD1 C 6.932 -3.724 -1.834 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . rr_1jdk 1
. 7 . 1320 . 1 1 9 LEU CD2 C 5.878 -5.979 -2.173 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . rr_1jdk 1
. 7 . 1321 . 1 1 9 LEU CG C 5.611 -4.461 -2.135 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . rr_1jdk 1
. 7 . 1322 . 1 1 9 LEU H H 3.003 -3.885 -3.365 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . rr_1jdk 1
. 7 . 1323 . 1 1 9 LEU HA H 2.862 -2.863 -0.554 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . rr_1jdk 1
. 7 . 1324 . 1 1 9 LEU HB2 H 4.929 -3.941 -0.117 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . rr_1jdk 1
. 7 . 1325 . 1 1 9 LEU HB3 H 3.841 -4.994 -0.954 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . rr_1jdk 1
. 7 . 1326 . 1 1 9 LEU HD11 H 6.803 -2.629 -1.821 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . rr_1jdk 1
. 7 . 1327 . 1 1 9 LEU HD12 H 7.352 -4.009 -0.852 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . rr_1jdk 1
. 7 . 1328 . 1 1 9 LEU HD13 H 7.704 -3.941 -2.596 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . rr_1jdk 1
. 7 . 1329 . 1 1 9 LEU HD21 H 6.216 -6.366 -1.194 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . rr_1jdk 1
. 7 . 1330 . 1 1 9 LEU HD22 H 4.969 -6.543 -2.452 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . rr_1jdk 1
. 7 . 1331 . 1 1 9 LEU HD23 H 6.654 -6.241 -2.917 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . rr_1jdk 1
. 7 . 1332 . 1 1 9 LEU HG H 5.284 -4.167 -3.151 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . rr_1jdk 1
. 7 . 1333 . 1 1 9 LEU N N 2.659 -3.288 -2.605 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . rr_1jdk 1
. 7 . 1334 . 1 1 9 LEU O O 4.563 -1.005 -0.408 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . rr_1jdk 1
. 7 . 1335 . 1 1 10 ILE C C 4.429 1.142 -3.972 . . . 1.0 . . . . . . . . . . . . A . 10 ILE C . . . . . . . . . rr_1jdk 1
. 7 . 1336 . 1 1 10 ILE CA C 5.142 0.413 -2.793 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CA . . . . . . . . . rr_1jdk 1
. 7 . 1337 . 1 1 10 ILE CB C 6.717 0.319 -2.838 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CB . . . . . . . . . rr_1jdk 1
. 7 . 1338 . 1 1 10 ILE CD1 C 7.570 2.625 -3.837 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CD1 . . . . . . . . . rr_1jdk 1
. 7 . 1339 . 1 1 10 ILE CG1 C 7.448 1.678 -2.628 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CG1 . . . . . . . . . rr_1jdk 1
. 7 . 1340 . 1 1 10 ILE CG2 C 7.362 -0.495 -3.994 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CG2 . . . . . . . . . rr_1jdk 1
. 7 . 1341 . 1 1 10 ILE H H 4.054 -1.399 -3.467 . . . 1.0 . . . . . . . . . . . . A . 10 ILE H . . . . . . . . . rr_1jdk 1
. 7 . 1342 . 1 1 10 ILE HA H 4.914 0.989 -1.873 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HA . . . . . . . . . rr_1jdk 1
. 7 . 1343 . 1 1 10 ILE HB H 6.978 -0.251 -1.926 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HB . . . . . . . . . rr_1jdk 1
. 7 . 1344 . 1 1 10 ILE HD11 H 8.125 2.156 -4.671 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD11 . . . . . . . . . rr_1jdk 1
. 7 . 1345 . 1 1 10 ILE HD12 H 6.584 2.935 -4.226 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD12 . . . . . . . . . rr_1jdk 1
. 7 . 1346 . 1 1 10 ILE HD13 H 8.121 3.543 -3.566 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD13 . . . . . . . . . rr_1jdk 1
. 7 . 1347 . 1 1 10 ILE HG12 H 6.975 2.227 -1.793 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG12 . . . . . . . . . rr_1jdk 1
. 7 . 1348 . 1 1 10 ILE HG13 H 8.474 1.471 -2.267 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG13 . . . . . . . . . rr_1jdk 1
. 7 . 1349 . 1 1 10 ILE HG21 H 7.211 -0.023 -4.982 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG21 . . . . . . . . . rr_1jdk 1
. 7 . 1350 . 1 1 10 ILE HG22 H 8.459 -0.591 -3.859 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG22 . . . . . . . . . rr_1jdk 1
. 7 . 1351 . 1 1 10 ILE HG23 H 6.964 -1.523 -4.059 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG23 . . . . . . . . . rr_1jdk 1
. 7 . 1352 . 1 1 10 ILE N N 4.485 -0.924 -2.665 . . . 1.0 . . . . . . . . . . . . A . 10 ILE N . . . . . . . . . rr_1jdk 1
. 7 . 1353 . 1 1 10 ILE O O 4.767 0.918 -5.138 . . . 1.0 . . . . . . . . . . . . A . 10 ILE O . . . . . . . . . rr_1jdk 1
. 7 . 1354 . 1 1 11 . C C 2.170 4.072 -4.051 . . . 1.0 . . . . . . . . . . . . A . 11 DAB C . . . . . . . . . rr_1jdk 1
. 7 . 1355 . 1 1 11 . CA C 2.653 2.741 -4.694 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CA . . . . . . . . . rr_1jdk 1
. 7 . 1356 . 1 1 11 . CB C 1.473 1.845 -5.189 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CB . . . . . . . . . rr_1jdk 1
. 7 . 1357 . 1 1 11 . CG C 0.746 2.261 -6.491 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CG . . . . . . . . . rr_1jdk 1
. 7 . 1358 . 1 1 11 . H H 3.226 2.156 -2.673 . . . 1.0 . . . . . . . . . . . . A . 11 DAB H . . . . . . . . . rr_1jdk 1
. 7 . 1359 . 1 1 11 . HA H 3.308 2.958 -5.563 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HA . . . . . . . . . rr_1jdk 1
. 7 . 1360 . 1 1 11 . HB2 H 1.868 0.830 -5.384 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HB2 . . . . . . . . . rr_1jdk 1
. 7 . 1361 . 1 1 11 . HB3 H 0.733 1.692 -4.379 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HB3 . . . . . . . . . rr_1jdk 1
. 7 . 1362 . 1 1 11 . HD2 H 0.167 4.384 -6.335 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HD2 . . . . . . . . . rr_1jdk 1
. 7 . 1363 . 1 1 11 . HG2 H 1.490 2.498 -7.275 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HG2 . . . . . . . . . rr_1jdk 1
. 7 . 1364 . 1 1 11 . HG3 H 0.199 1.384 -6.892 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HG3 . . . . . . . . . rr_1jdk 1
. 7 . 1365 . 1 1 11 . N N 3.429 2.000 -3.668 . . . 1.0 . . . . . . . . . . . . A . 11 DAB N . . . . . . . . . rr_1jdk 1
. 7 . 1366 . 1 1 11 . ND N -0.167 3.414 -6.329 . . . 1.0 . . . . . . . . . . . . A . 11 DAB ND . . . . . . . . . rr_1jdk 1
. 7 . 1367 . 1 1 11 . O O 1.399 4.071 -3.089 . . . 1.0 . . . . . . . . . . . . A . 11 DAB O . . . . . . . . . rr_1jdk 1
. 7 . 1368 . 1 1 12 THR C C 1.990 7.417 -5.356 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_1jdk 1
. 7 . 1369 . 1 1 12 THR CA C 2.241 6.559 -4.082 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_1jdk 1
. 7 . 1370 . 1 1 12 THR CB C 3.277 7.162 -3.086 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_1jdk 1
. 7 . 1371 . 1 1 12 THR CG2 C 2.860 8.529 -2.514 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_1jdk 1
. 7 . 1372 . 1 1 12 THR H H 3.430 5.075 -5.222 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_1jdk 1
. 7 . 1373 . 1 1 12 THR HA H 1.285 6.485 -3.521 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_1jdk 1
. 7 . 1374 . 1 1 12 THR HB H 4.255 7.275 -3.593 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_1jdk 1
. 7 . 1375 . 1 1 12 THR HG1 H 4.025 6.753 -1.358 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG1 . . . . . . . . . rr_1jdk 1
. 7 . 1376 . 1 1 12 THR HG21 H 3.638 8.937 -1.847 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_1jdk 1
. 7 . 1377 . 1 1 12 THR HG22 H 2.699 9.280 -3.308 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_1jdk 1
. 7 . 1378 . 1 1 12 THR HG23 H 1.925 8.461 -1.924 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_1jdk 1
. 7 . 1379 . 1 1 12 THR N N 2.647 5.211 -4.574 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_1jdk 1
. 7 . 1380 . 1 1 12 THR O O 2.923 7.999 -5.921 . . . 1.0 . . . . . . . . . . . . A . 12 THR O . . . . . . . . . rr_1jdk 1
. 7 . 1381 . 1 1 12 THR OG1 O 3.448 6.291 -1.971 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_1jdk 1
. 7 . 1382 . 1 1 13 THR C C -1.046 8.927 -6.647 . . . 1.0 . . . . . . . . . . . . A . 13 THR C . . . . . . . . . rr_1jdk 1
. 7 . 1383 . 1 1 13 THR CA C 0.308 8.246 -7.004 . . . 1.0 . . . . . . . . . . . . A . 13 THR CA . . . . . . . . . rr_1jdk 1
. 7 . 1384 . 1 1 13 THR CB C 0.231 7.328 -8.266 . . . 1.0 . . . . . . . . . . . . A . 13 THR CB . . . . . . . . . rr_1jdk 1
. 7 . 1385 . 1 1 13 THR CG2 C -0.127 8.070 -9.565 . . . 1.0 . . . . . . . . . . . . A . 13 THR CG2 . . . . . . . . . rr_1jdk 1
. 7 . 1386 . 1 1 13 THR H H 0.044 6.944 -5.240 . . . 1.0 . . . . . . . . . . . . A . 13 THR H . . . . . . . . . rr_1jdk 1
. 7 . 1387 . 1 1 13 THR HA H 1.060 9.032 -7.223 . . . 1.0 . . . . . . . . . . . . A . 13 THR HA . . . . . . . . . rr_1jdk 1
. 7 . 1388 . 1 1 13 THR HB H -0.526 6.538 -8.099 . . . 1.0 . . . . . . . . . . . . A . 13 THR HB . . . . . . . . . rr_1jdk 1
. 7 . 1389 . 1 1 13 THR HG1 H 1.389 6.200 -9.312 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG1 . . . . . . . . . rr_1jdk 1
. 7 . 1390 . 1 1 13 THR HG21 H 0.606 8.863 -9.801 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG21 . . . . . . . . . rr_1jdk 1
. 7 . 1391 . 1 1 13 THR HG22 H -0.156 7.382 -10.429 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG22 . . . . . . . . . rr_1jdk 1
. 7 . 1392 . 1 1 13 THR HG23 H -1.124 8.549 -9.504 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG23 . . . . . . . . . rr_1jdk 1
. 7 . 1393 . 1 1 13 THR N N 0.720 7.475 -5.799 . . . 1.0 . . . . . . . . . . . . A . 13 THR N . . . . . . . . . rr_1jdk 1
. 7 . 1394 . 1 1 13 THR O O -2.097 8.277 -6.644 . . . 1.0 . . . . . . . . . . . . A . 13 THR O . . . . . . . . . rr_1jdk 1
. 7 . 1395 . 1 1 13 THR OG1 O 1.486 6.694 -8.495 . . . 1.0 . . . . . . . . . . . . A . 13 THR OG1 . . . . . . . . . rr_1jdk 1
. 7 . 1396 . 1 1 14 ALA C C -2.994 11.524 -7.238 . . . 1.0 . . . . . . . . . . . . A . 14 ALA C . . . . . . . . . rr_1jdk 1
. 7 . 1397 . 1 1 14 ALA CA C -2.217 11.025 -5.996 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CA . . . . . . . . . rr_1jdk 1
. 7 . 1398 . 1 1 14 ALA CB C -1.801 12.182 -5.070 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CB . . . . . . . . . rr_1jdk 1
. 7 . 1399 . 1 1 14 ALA H H -0.069 10.655 -6.355 . . . 1.0 . . . . . . . . . . . . A . 14 ALA H . . . . . . . . . rr_1jdk 1
. 7 . 1400 . 1 1 14 ALA HXT H -1.348 12.437 -7.729 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HXT . . . . . . . . . rr_1jdk 1
. 7 . 1401 . 1 1 14 ALA HA H -2.906 10.386 -5.409 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HA . . . . . . . . . rr_1jdk 1
. 7 . 1402 . 1 1 14 ALA HB1 H -2.677 12.772 -4.741 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB1 . . . . . . . . . rr_1jdk 1
. 7 . 1403 . 1 1 14 ALA HB2 H -1.308 11.814 -4.150 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB2 . . . . . . . . . rr_1jdk 1
. 7 . 1404 . 1 1 14 ALA HB3 H -1.100 12.886 -5.557 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB3 . . . . . . . . . rr_1jdk 1
. 7 . 1405 . 1 1 14 ALA N N -1.008 10.241 -6.358 . . . 1.0 . . . . . . . . . . . . A . 14 ALA N . . . . . . . . . rr_1jdk 1
. 7 . 1406 . 1 1 14 ALA O O -4.167 11.224 -7.455 . . . 1.0 . . . . . . . . . . . . A . 14 ALA O . . . . . . . . . rr_1jdk 1
. 7 . 1407 . 1 1 14 ALA OXT O -2.240 12.326 -8.061 . . . 1.0 . . . . . . . . . . . . A . 14 ALA OXT . . . . . . . . . rr_1jdk 1
. 8 . 1408 . 1 1 1 ACE C C -3.610 16.516 1.020 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . rr_1jdk 1
. 8 . 1409 . 1 1 1 ACE CH3 C -3.282 17.320 2.274 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . rr_1jdk 1
. 8 . 1410 . 1 1 1 ACE H1 H -2.282 17.787 2.207 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . rr_1jdk 1
. 8 . 1411 . 1 1 1 ACE H2 H -4.015 18.134 2.426 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . rr_1jdk 1
. 8 . 1412 . 1 1 1 ACE H3 H -3.304 16.686 3.180 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . rr_1jdk 1
. 8 . 1413 . 1 1 1 ACE O O -4.580 16.815 0.320 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . rr_1jdk 1
. 8 . 1414 . 1 1 2 ILE C C -2.439 13.177 -0.032 . . . 1.0 . . . . . . . . . . . . A . 2 ILE C . . . . . . . . . rr_1jdk 1
. 8 . 1415 . 1 1 2 ILE CA C -2.938 14.605 -0.427 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CA . . . . . . . . . rr_1jdk 1
. 8 . 1416 . 1 1 2 ILE CB C -2.316 15.237 -1.736 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CB . . . . . . . . . rr_1jdk 1
. 8 . 1417 . 1 1 2 ILE CD1 C -4.302 15.108 -3.396 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CD1 . . . . . . . . . rr_1jdk 1
. 8 . 1418 . 1 1 2 ILE CG1 C -2.886 14.621 -3.045 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG1 . . . . . . . . . rr_1jdk 1
. 8 . 1419 . 1 1 2 ILE CG2 C -0.768 15.284 -1.821 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG2 . . . . . . . . . rr_1jdk 1
. 8 . 1420 . 1 1 2 ILE H H -2.046 15.364 1.458 . . . 1.0 . . . . . . . . . . . . A . 2 ILE H . . . . . . . . . rr_1jdk 1
. 8 . 1421 . 1 1 2 ILE HA H -4.027 14.516 -0.617 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HA . . . . . . . . . rr_1jdk 1
. 8 . 1422 . 1 1 2 ILE HB H -2.619 16.303 -1.751 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HB . . . . . . . . . rr_1jdk 1
. 8 . 1423 . 1 1 2 ILE HD11 H -5.043 14.828 -2.627 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD11 . . . . . . . . . rr_1jdk 1
. 8 . 1424 . 1 1 2 ILE HD12 H -4.334 16.208 -3.499 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD12 . . . . . . . . . rr_1jdk 1
. 8 . 1425 . 1 1 2 ILE HD13 H -4.643 14.681 -4.356 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD13 . . . . . . . . . rr_1jdk 1
. 8 . 1426 . 1 1 2 ILE HG12 H -2.240 14.876 -3.907 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG12 . . . . . . . . . rr_1jdk 1
. 8 . 1427 . 1 1 2 ILE HG13 H -2.866 13.516 -2.994 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG13 . . . . . . . . . rr_1jdk 1
. 8 . 1428 . 1 1 2 ILE HG21 H -0.321 14.283 -1.972 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG21 . . . . . . . . . rr_1jdk 1
. 8 . 1429 . 1 1 2 ILE HG22 H -0.425 15.908 -2.669 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG22 . . . . . . . . . rr_1jdk 1
. 8 . 1430 . 1 1 2 ILE HG23 H -0.313 15.713 -0.911 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG23 . . . . . . . . . rr_1jdk 1
. 8 . 1431 . 1 1 2 ILE N N -2.775 15.501 0.752 . . . 1.0 . . . . . . . . . . . . A . 2 ILE N . . . . . . . . . rr_1jdk 1
. 8 . 1432 . 1 1 2 ILE O O -1.234 12.915 -0.041 . . . 1.0 . . . . . . . . . . . . A . 2 ILE O . . . . . . . . . rr_1jdk 1
. 8 . 1433 . 1 1 3 TRP C C -4.178 9.933 0.358 . . . 1.0 . . . . . . . . . . . . A . 3 TRP C . . . . . . . . . rr_1jdk 1
. 8 . 1434 . 1 1 3 TRP CA C -2.997 10.871 0.737 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CA . . . . . . . . . rr_1jdk 1
. 8 . 1435 . 1 1 3 TRP CB C -2.613 10.770 2.242 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CB . . . . . . . . . rr_1jdk 1
. 8 . 1436 . 1 1 3 TRP CD1 C -0.492 9.272 2.530 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD1 . . . . . . . . . rr_1jdk 1
. 8 . 1437 . 1 1 3 TRP CD2 C -2.406 8.264 3.057 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD2 . . . . . . . . . rr_1jdk 1
. 8 . 1438 . 1 1 3 TRP CE2 C -1.331 7.347 3.182 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE2 . . . . . . . . . rr_1jdk 1
. 8 . 1439 . 1 1 3 TRP CE3 C -3.734 7.858 3.356 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE3 . . . . . . . . . rr_1jdk 1
. 8 . 1440 . 1 1 3 TRP CG C -1.884 9.474 2.623 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CG . . . . . . . . . rr_1jdk 1
. 8 . 1441 . 1 1 3 TRP CH2 C -2.891 5.627 3.858 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CH2 . . . . . . . . . rr_1jdk 1
. 8 . 1442 . 1 1 3 TRP CZ2 C -1.578 6.013 3.582 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ2 . . . . . . . . . rr_1jdk 1
. 8 . 1443 . 1 1 3 TRP CZ3 C -3.951 6.537 3.749 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ3 . . . . . . . . . rr_1jdk 1
. 8 . 1444 . 1 1 3 TRP H H -4.334 12.578 0.388 . . . 1.0 . . . . . . . . . . . . A . 3 TRP H . . . . . . . . . rr_1jdk 1
. 8 . 1445 . 1 1 3 TRP HA H -2.097 10.577 0.160 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HA . . . . . . . . . rr_1jdk 1
. 8 . 1446 . 1 1 3 TRP HB2 H -1.950 11.614 2.506 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB2 . . . . . . . . . rr_1jdk 1
. 8 . 1447 . 1 1 3 TRP HB3 H -3.510 10.899 2.875 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB3 . . . . . . . . . rr_1jdk 1
. 8 . 1448 . 1 1 3 TRP HD1 H 0.212 10.033 2.223 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HD1 . . . . . . . . . rr_1jdk 1
. 8 . 1449 . 1 1 3 TRP HE1 H 0.809 7.540 2.863 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE1 . . . . . . . . . rr_1jdk 1
. 8 . 1450 . 1 1 3 TRP HE3 H -4.562 8.549 3.304 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE3 . . . . . . . . . rr_1jdk 1
. 8 . 1451 . 1 1 3 TRP HH2 H -3.093 4.611 4.165 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HH2 . . . . . . . . . rr_1jdk 1
. 8 . 1452 . 1 1 3 TRP HZ2 H -0.768 5.303 3.674 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ2 . . . . . . . . . rr_1jdk 1
. 8 . 1453 . 1 1 3 TRP HZ3 H -4.955 6.211 3.981 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ3 . . . . . . . . . rr_1jdk 1
. 8 . 1454 . 1 1 3 TRP N N -3.359 12.261 0.350 . . . 1.0 . . . . . . . . . . . . A . 3 TRP N . . . . . . . . . rr_1jdk 1
. 8 . 1455 . 1 1 3 TRP NE1 N -0.128 7.957 2.865 . . . 1.0 . . . . . . . . . . . . A . 3 TRP NE1 . . . . . . . . . rr_1jdk 1
. 8 . 1456 . 1 1 3 TRP O O -5.240 9.967 0.991 . . . 1.0 . . . . . . . . . . . . A . 3 TRP O . . . . . . . . . rr_1jdk 1
. 8 . 1457 . 1 1 4 GLY C C -4.536 7.311 -2.327 . . . 1.0 . . . . . . . . . . . . A . 4 GLY C . . . . . . . . . rr_1jdk 1
. 8 . 1458 . 1 1 4 GLY CA C -5.012 8.142 -1.126 . . . 1.0 . . . . . . . . . . . . A . 4 GLY CA . . . . . . . . . rr_1jdk 1
. 8 . 1459 . 1 1 4 GLY H H -3.080 9.211 -1.154 . . . 1.0 . . . . . . . . . . . . A . 4 GLY H . . . . . . . . . rr_1jdk 1
. 8 . 1460 . 1 1 4 GLY HA2 H -5.310 7.473 -0.294 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA2 . . . . . . . . . rr_1jdk 1
. 8 . 1461 . 1 1 4 GLY HA3 H -5.932 8.690 -1.407 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA3 . . . . . . . . . rr_1jdk 1
. 8 . 1462 . 1 1 4 GLY N N -3.977 9.097 -0.671 . . . 1.0 . . . . . . . . . . . . A . 4 GLY N . . . . . . . . . rr_1jdk 1
. 8 . 1463 . 1 1 4 GLY O O -4.938 7.583 -3.461 . . . 1.0 . . . . . . . . . . . . A . 4 GLY O . . . . . . . . . rr_1jdk 1
. 8 . 1464 . 1 1 5 GLU C C -2.619 4.112 -2.450 . . . 1.0 . . . . . . . . . . . . A . 5 GLU C . . . . . . . . . rr_1jdk 1
. 8 . 1465 . 1 1 5 GLU CA C -3.130 5.416 -3.130 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CA . . . . . . . . . rr_1jdk 1
. 8 . 1466 . 1 1 5 GLU CB C -1.982 6.130 -3.919 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CB . . . . . . . . . rr_1jdk 1
. 8 . 1467 . 1 1 5 GLU CD C -1.412 4.240 -5.669 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CD . . . . . . . . . rr_1jdk 1
. 8 . 1468 . 1 1 5 GLU CG C -1.755 5.716 -5.395 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CG . . . . . . . . . rr_1jdk 1
. 8 . 1469 . 1 1 5 GLU H H -3.423 6.196 -1.084 . . . 1.0 . . . . . . . . . . . . A . 5 GLU H . . . . . . . . . rr_1jdk 1
. 8 . 1470 . 1 1 5 GLU HA H -3.948 5.177 -3.842 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HA . . . . . . . . . rr_1jdk 1
. 8 . 1471 . 1 1 5 GLU HB2 H -2.190 7.216 -3.952 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB2 . . . . . . . . . rr_1jdk 1
. 8 . 1472 . 1 1 5 GLU HB3 H -1.028 6.062 -3.362 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB3 . . . . . . . . . rr_1jdk 1
. 8 . 1473 . 1 1 5 GLU HG2 H -2.652 5.985 -5.985 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG2 . . . . . . . . . rr_1jdk 1
. 8 . 1474 . 1 1 5 GLU HG3 H -0.964 6.363 -5.828 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG3 . . . . . . . . . rr_1jdk 1
. 8 . 1475 . 1 1 5 GLU N N -3.683 6.302 -2.070 . . . 1.0 . . . . . . . . . . . . A . 5 GLU N . . . . . . . . . rr_1jdk 1
. 8 . 1476 . 1 1 5 GLU O O -1.788 4.174 -1.538 . . . 1.0 . . . . . . . . . . . . A . 5 GLU O . . . . . . . . . rr_1jdk 1
. 8 . 1477 . 1 1 5 GLU OE1 O -2.287 3.469 -6.072 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE1 . . . . . . . . . rr_1jdk 1
. 8 . 1478 . 1 1 6 SER C C -2.800 0.515 -3.459 . . . 1.0 . . . . . . . . . . . . A . 6 SER C . . . . . . . . . rr_1jdk 1
. 8 . 1479 . 1 1 6 SER CA C -2.703 1.613 -2.342 . . . 1.0 . . . . . . . . . . . . A . 6 SER CA . . . . . . . . . rr_1jdk 1
. 8 . 1480 . 1 1 6 SER CB C -3.488 1.246 -1.053 . . . 1.0 . . . . . . . . . . . . A . 6 SER CB . . . . . . . . . rr_1jdk 1
. 8 . 1481 . 1 1 6 SER H H -3.836 3.005 -3.621 . . . 1.0 . . . . . . . . . . . . A . 6 SER H . . . . . . . . . rr_1jdk 1
. 8 . 1482 . 1 1 6 SER HA H -1.633 1.712 -2.062 . . . 1.0 . . . . . . . . . . . . A . 6 SER HA . . . . . . . . . rr_1jdk 1
. 8 . 1483 . 1 1 6 SER HB2 H -3.103 0.303 -0.618 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB2 . . . . . . . . . rr_1jdk 1
. 8 . 1484 . 1 1 6 SER HB3 H -3.328 2.007 -0.265 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB3 . . . . . . . . . rr_1jdk 1
. 8 . 1485 . 1 1 6 SER HG H -5.175 1.946 -1.667 . . . 1.0 . . . . . . . . . . . . A . 6 SER HG . . . . . . . . . rr_1jdk 1
. 8 . 1486 . 1 1 6 SER N N -3.130 2.942 -2.877 . . . 1.0 . . . . . . . . . . . . A . 6 SER N . . . . . . . . . rr_1jdk 1
. 8 . 1487 . 1 1 6 SER O O -3.392 0.743 -4.523 . . . 1.0 . . . . . . . . . . . . A . 6 SER O . . . . . . . . . rr_1jdk 1
. 8 . 1488 . 1 1 6 SER OG O -4.885 1.108 -1.299 . . . 1.0 . . . . . . . . . . . . A . 6 SER OG . . . . . . . . . rr_1jdk 1
. 8 . 1489 . 1 1 7 GLY C C -1.535 -3.038 -3.820 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . rr_1jdk 1
. 8 . 1490 . 1 1 7 GLY CA C -2.275 -1.764 -4.260 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . rr_1jdk 1
. 8 . 1491 . 1 1 7 GLY H H -1.913 -0.902 -2.288 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . rr_1jdk 1
. 8 . 1492 . 1 1 7 GLY HA2 H -3.333 -2.029 -4.454 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . rr_1jdk 1
. 8 . 1493 . 1 1 7 GLY HA3 H -1.890 -1.394 -5.232 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . rr_1jdk 1
. 8 . 1494 . 1 1 7 GLY N N -2.218 -0.688 -3.245 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . rr_1jdk 1
. 8 . 1495 . 1 1 7 GLY O O -2.090 -3.835 -3.059 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . rr_1jdk 1
. 8 . 1496 . 1 1 8 LYS C C 1.435 -4.194 -2.730 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . rr_1jdk 1
. 8 . 1497 . 1 1 8 LYS CA C 0.533 -4.420 -3.980 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . rr_1jdk 1
. 8 . 1498 . 1 1 8 LYS CB C 1.325 -4.904 -5.233 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . rr_1jdk 1
. 8 . 1499 . 1 1 8 LYS CD C -0.289 -6.701 -6.211 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . rr_1jdk 1
. 8 . 1500 . 1 1 8 LYS CE C -1.022 -7.183 -7.475 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . rr_1jdk 1
. 8 . 1501 . 1 1 8 LYS CG C 0.505 -5.400 -6.450 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . rr_1jdk 1
. 8 . 1502 . 1 1 8 LYS H H 0.052 -2.480 -4.923 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . rr_1jdk 1
. 8 . 1503 . 1 1 8 LYS HA H -0.138 -5.259 -3.711 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . rr_1jdk 1
. 8 . 1504 . 1 1 8 LYS HB2 H 1.993 -4.091 -5.577 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . rr_1jdk 1
. 8 . 1505 . 1 1 8 LYS HB3 H 2.015 -5.717 -4.933 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . rr_1jdk 1
. 8 . 1506 . 1 1 8 LYS HD2 H 0.398 -7.490 -5.850 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . rr_1jdk 1
. 8 . 1507 . 1 1 8 LYS HD3 H -1.024 -6.541 -5.398 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . rr_1jdk 1
. 8 . 1508 . 1 1 8 LYS HE2 H -1.719 -6.405 -7.840 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . rr_1jdk 1
. 8 . 1509 . 1 1 8 LYS HE3 H -0.302 -7.360 -8.297 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . rr_1jdk 1
. 8 . 1510 . 1 1 8 LYS HG2 H -0.176 -4.599 -6.792 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . rr_1jdk 1
. 8 . 1511 . 1 1 8 LYS HG3 H 1.205 -5.560 -7.292 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . rr_1jdk 1
. 8 . 1512 . 1 1 8 LYS HZ1 H -2.451 -8.275 -6.458 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . rr_1jdk 1
. 8 . 1513 . 1 1 8 LYS HZ2 H -1.141 -9.157 -6.877 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . rr_1jdk 1
. 8 . 1514 . 1 1 8 LYS N N -0.294 -3.222 -4.306 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . rr_1jdk 1
. 8 . 1515 . 1 1 8 LYS NZ N -1.774 -8.423 -7.215 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . rr_1jdk 1
. 8 . 1516 . 1 1 8 LYS O O 1.186 -4.824 -1.697 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . rr_1jdk 1
. 8 . 1517 . 1 1 9 LEU C C 3.861 -1.566 -1.686 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . rr_1jdk 1
. 8 . 1518 . 1 1 9 LEU CA C 3.391 -3.051 -1.675 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . rr_1jdk 1
. 8 . 1519 . 1 1 9 LEU CB C 4.548 -4.100 -1.651 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . rr_1jdk 1
. 8 . 1520 . 1 1 9 LEU CD1 C 4.866 -4.377 0.898 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . rr_1jdk 1
. 8 . 1521 . 1 1 9 LEU CD2 C 6.729 -4.988 -0.688 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . rr_1jdk 1
. 8 . 1522 . 1 1 9 LEU CG C 5.535 -4.043 -0.451 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . rr_1jdk 1
. 8 . 1523 . 1 1 9 LEU H H 2.559 -2.856 -3.718 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . rr_1jdk 1
. 8 . 1524 . 1 1 9 LEU HA H 2.821 -3.176 -0.733 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . rr_1jdk 1
. 8 . 1525 . 1 1 9 LEU HB2 H 4.116 -5.119 -1.695 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . rr_1jdk 1
. 8 . 1526 . 1 1 9 LEU HB3 H 5.123 -4.006 -2.593 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . rr_1jdk 1
. 8 . 1527 . 1 1 9 LEU HD11 H 5.590 -4.346 1.733 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . rr_1jdk 1
. 8 . 1528 . 1 1 9 LEU HD12 H 4.069 -3.656 1.151 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . rr_1jdk 1
. 8 . 1529 . 1 1 9 LEU HD13 H 4.410 -5.385 0.896 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . rr_1jdk 1
. 8 . 1530 . 1 1 9 LEU HD21 H 6.414 -6.045 -0.768 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . rr_1jdk 1
. 8 . 1531 . 1 1 9 LEU HD22 H 7.270 -4.735 -1.619 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . rr_1jdk 1
. 8 . 1532 . 1 1 9 LEU HD23 H 7.468 -4.927 0.132 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . rr_1jdk 1
. 8 . 1533 . 1 1 9 LEU HG H 5.944 -3.017 -0.381 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . rr_1jdk 1
. 8 . 1534 . 1 1 9 LEU N N 2.466 -3.326 -2.811 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . rr_1jdk 1
. 8 . 1535 . 1 1 9 LEU O O 3.518 -0.829 -0.756 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . rr_1jdk 1
. 8 . 1536 . 1 1 10 ILE C C 4.236 1.172 -3.698 . . . 1.0 . . . . . . . . . . . . A . 10 ILE C . . . . . . . . . rr_1jdk 1
. 8 . 1537 . 1 1 10 ILE CA C 5.150 0.274 -2.802 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CA . . . . . . . . . rr_1jdk 1
. 8 . 1538 . 1 1 10 ILE CB C 6.709 0.381 -3.055 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CB . . . . . . . . . rr_1jdk 1
. 8 . 1539 . 1 1 10 ILE CD1 C 7.273 2.171 -1.205 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CD1 . . . . . . . . . rr_1jdk 1
. 8 . 1540 . 1 1 10 ILE CG1 C 7.314 1.773 -2.689 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CG1 . . . . . . . . . rr_1jdk 1
. 8 . 1541 . 1 1 10 ILE CG2 C 7.231 0.025 -4.478 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CG2 . . . . . . . . . rr_1jdk 1
. 8 . 1542 . 1 1 10 ILE H H 4.675 -1.834 -3.454 . . . 1.0 . . . . . . . . . . . . A . 10 ILE H . . . . . . . . . rr_1jdk 1
. 8 . 1543 . 1 1 10 ILE HA H 5.056 0.704 -1.785 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HA . . . . . . . . . rr_1jdk 1
. 8 . 1544 . 1 1 10 ILE HB H 7.188 -0.351 -2.375 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HB . . . . . . . . . rr_1jdk 1
. 8 . 1545 . 1 1 10 ILE HD11 H 6.244 2.333 -0.841 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD11 . . . . . . . . . rr_1jdk 1
. 8 . 1546 . 1 1 10 ILE HD12 H 7.745 1.405 -0.562 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD12 . . . . . . . . . rr_1jdk 1
. 8 . 1547 . 1 1 10 ILE HD13 H 7.822 3.117 -1.038 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD13 . . . . . . . . . rr_1jdk 1
. 8 . 1548 . 1 1 10 ILE HG12 H 8.380 1.808 -2.989 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG12 . . . . . . . . . rr_1jdk 1
. 8 . 1549 . 1 1 10 ILE HG13 H 6.828 2.566 -3.288 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG13 . . . . . . . . . rr_1jdk 1
. 8 . 1550 . 1 1 10 ILE HG21 H 6.867 -0.950 -4.842 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG21 . . . . . . . . . rr_1jdk 1
. 8 . 1551 . 1 1 10 ILE HG22 H 6.962 0.786 -5.238 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG22 . . . . . . . . . rr_1jdk 1
. 8 . 1552 . 1 1 10 ILE HG23 H 8.339 -0.026 -4.504 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG23 . . . . . . . . . rr_1jdk 1
. 8 . 1553 . 1 1 10 ILE N N 4.639 -1.134 -2.706 . . . 1.0 . . . . . . . . . . . . A . 10 ILE N . . . . . . . . . rr_1jdk 1
. 8 . 1554 . 1 1 10 ILE O O 4.531 1.422 -4.870 . . . 1.0 . . . . . . . . . . . . A . 10 ILE O . . . . . . . . . rr_1jdk 1
. 8 . 1555 . 1 1 11 . C C 1.621 3.495 -2.710 . . . 1.0 . . . . . . . . . . . . A . 11 DAB C . . . . . . . . . rr_1jdk 1
. 8 . 1556 . 1 1 11 . CA C 2.166 2.556 -3.821 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CA . . . . . . . . . rr_1jdk 1
. 8 . 1557 . 1 1 11 . CB C 1.041 1.789 -4.581 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CB . . . . . . . . . rr_1jdk 1
. 8 . 1558 . 1 1 11 . CG C 0.389 2.527 -5.776 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CG . . . . . . . . . rr_1jdk 1
. 8 . 1559 . 1 1 11 . H H 2.880 1.253 -2.208 . . . 1.0 . . . . . . . . . . . . A . 11 DAB H . . . . . . . . . rr_1jdk 1
. 8 . 1560 . 1 1 11 . HA H 2.725 3.159 -4.567 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HA . . . . . . . . . rr_1jdk 1
. 8 . 1561 . 1 1 11 . HB2 H 1.454 0.847 -4.989 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HB2 . . . . . . . . . rr_1jdk 1
. 8 . 1562 . 1 1 11 . HB3 H 0.253 1.454 -3.879 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HB3 . . . . . . . . . rr_1jdk 1
. 8 . 1563 . 1 1 11 . HD2 H 0.467 4.634 -5.127 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HD2 . . . . . . . . . rr_1jdk 1
. 8 . 1564 . 1 1 11 . HG2 H 1.142 2.636 -6.579 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HG2 . . . . . . . . . rr_1jdk 1
. 8 . 1565 . 1 1 11 . HG3 H -0.390 1.871 -6.213 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HG3 . . . . . . . . . rr_1jdk 1
. 8 . 1566 . 1 1 11 . N N 3.113 1.651 -3.125 . . . 1.0 . . . . . . . . . . . . A . 11 DAB N . . . . . . . . . rr_1jdk 1
. 8 . 1567 . 1 1 11 . ND N -0.138 3.879 -5.464 . . . 1.0 . . . . . . . . . . . . A . 11 DAB ND . . . . . . . . . rr_1jdk 1
. 8 . 1568 . 1 1 11 . O O 0.751 3.095 -1.929 . . . 1.0 . . . . . . . . . . . . A . 11 DAB O . . . . . . . . . rr_1jdk 1
. 8 . 1569 . 1 1 12 THR C C 1.949 7.173 -2.141 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_1jdk 1
. 8 . 1570 . 1 1 12 THR CA C 1.729 5.726 -1.603 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_1jdk 1
. 8 . 1571 . 1 1 12 THR CB C 2.394 5.468 -0.213 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_1jdk 1
. 8 . 1572 . 1 1 12 THR CG2 C 3.927 5.602 -0.129 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_1jdk 1
. 8 . 1573 . 1 1 12 THR H H 2.986 4.876 -3.211 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_1jdk 1
. 8 . 1574 . 1 1 12 THR HA H 0.638 5.588 -1.445 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_1jdk 1
. 8 . 1575 . 1 1 12 THR HB H 2.139 4.436 0.098 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_1jdk 1
. 8 . 1576 . 1 1 12 THR HG1 H 2.283 6.151 1.580 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG1 . . . . . . . . . rr_1jdk 1
. 8 . 1577 . 1 1 12 THR HG21 H 4.300 5.356 0.881 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_1jdk 1
. 8 . 1578 . 1 1 12 THR HG22 H 4.435 4.921 -0.837 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_1jdk 1
. 8 . 1579 . 1 1 12 THR HG23 H 4.265 6.629 -0.361 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_1jdk 1
. 8 . 1580 . 1 1 12 THR N N 2.156 4.728 -2.625 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_1jdk 1
. 8 . 1581 . 1 1 12 THR O O 3.028 7.511 -2.642 . . . 1.0 . . . . . . . . . . . . A . 12 THR O . . . . . . . . . rr_1jdk 1
. 8 . 1582 . 1 1 12 THR OG1 O 1.828 6.342 0.757 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_1jdk 1
. 8 . 1583 . 1 1 13 THR C C 1.204 10.314 -1.190 . . . 1.0 . . . . . . . . . . . . A . 13 THR C . . . . . . . . . rr_1jdk 1
. 8 . 1584 . 1 1 13 THR CA C 0.961 9.448 -2.459 . . . 1.0 . . . . . . . . . . . . A . 13 THR CA . . . . . . . . . rr_1jdk 1
. 8 . 1585 . 1 1 13 THR CB C -0.347 9.806 -3.227 . . . 1.0 . . . . . . . . . . . . A . 13 THR CB . . . . . . . . . rr_1jdk 1
. 8 . 1586 . 1 1 13 THR CG2 C -0.471 11.281 -3.655 . . . 1.0 . . . . . . . . . . . . A . 13 THR CG2 . . . . . . . . . rr_1jdk 1
. 8 . 1587 . 1 1 13 THR H H 0.100 7.639 -1.524 . . . 1.0 . . . . . . . . . . . . A . 13 THR H . . . . . . . . . rr_1jdk 1
. 8 . 1588 . 1 1 13 THR HA H 1.794 9.598 -3.178 . . . 1.0 . . . . . . . . . . . . A . 13 THR HA . . . . . . . . . rr_1jdk 1
. 8 . 1589 . 1 1 13 THR HB H -1.227 9.563 -2.599 . . . 1.0 . . . . . . . . . . . . A . 13 THR HB . . . . . . . . . rr_1jdk 1
. 8 . 1590 . 1 1 13 THR HG1 H -0.237 8.127 -4.160 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG1 . . . . . . . . . rr_1jdk 1
. 8 . 1591 . 1 1 13 THR HG21 H -0.506 11.959 -2.783 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG21 . . . . . . . . . rr_1jdk 1
. 8 . 1592 . 1 1 13 THR HG22 H 0.378 11.598 -4.289 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG22 . . . . . . . . . rr_1jdk 1
. 8 . 1593 . 1 1 13 THR HG23 H -1.397 11.455 -4.232 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG23 . . . . . . . . . rr_1jdk 1
. 8 . 1594 . 1 1 13 THR N N 0.912 8.024 -2.017 . . . 1.0 . . . . . . . . . . . . A . 13 THR N . . . . . . . . . rr_1jdk 1
. 8 . 1595 . 1 1 13 THR O O 0.331 10.409 -0.323 . . . 1.0 . . . . . . . . . . . . A . 13 THR O . . . . . . . . . rr_1jdk 1
. 8 . 1596 . 1 1 13 THR OG1 O -0.417 9.033 -4.421 . . . 1.0 . . . . . . . . . . . . A . 13 THR OG1 . . . . . . . . . rr_1jdk 1
. 8 . 1597 . 1 1 14 ALA C C 2.190 13.244 -0.086 . . . 1.0 . . . . . . . . . . . . A . 14 ALA C . . . . . . . . . rr_1jdk 1
. 8 . 1598 . 1 1 14 ALA CA C 2.749 11.810 0.058 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CA . . . . . . . . . rr_1jdk 1
. 8 . 1599 . 1 1 14 ALA CB C 4.282 11.824 0.192 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CB . . . . . . . . . rr_1jdk 1
. 8 . 1600 . 1 1 14 ALA H H 3.029 10.791 -1.880 . . . 1.0 . . . . . . . . . . . . A . 14 ALA H . . . . . . . . . rr_1jdk 1
. 8 . 1601 . 1 1 14 ALA HXT H 1.103 14.510 0.896 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HXT . . . . . . . . . rr_1jdk 1
. 8 . 1602 . 1 1 14 ALA HA H 2.349 11.360 0.989 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HA . . . . . . . . . rr_1jdk 1
. 8 . 1603 . 1 1 14 ALA HB1 H 4.606 12.418 1.067 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB1 . . . . . . . . . rr_1jdk 1
. 8 . 1604 . 1 1 14 ALA HB2 H 4.691 10.806 0.335 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB2 . . . . . . . . . rr_1jdk 1
. 8 . 1605 . 1 1 14 ALA HB3 H 4.781 12.256 -0.697 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB3 . . . . . . . . . rr_1jdk 1
. 8 . 1606 . 1 1 14 ALA N N 2.385 10.952 -1.099 . . . 1.0 . . . . . . . . . . . . A . 14 ALA N . . . . . . . . . rr_1jdk 1
. 8 . 1607 . 1 1 14 ALA O O 2.377 13.965 -1.068 . . . 1.0 . . . . . . . . . . . . A . 14 ALA O . . . . . . . . . rr_1jdk 1
. 8 . 1608 . 1 1 14 ALA OXT O 1.460 13.626 1.009 . . . 1.0 . . . . . . . . . . . . A . 14 ALA OXT . . . . . . . . . rr_1jdk 1
. 9 . 1609 . 1 1 1 ACE C C -2.511 16.165 0.354 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . rr_1jdk 1
. 9 . 1610 . 1 1 1 ACE CH3 C -2.071 17.194 1.390 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . rr_1jdk 1
. 9 . 1611 . 1 1 1 ACE H1 H -2.802 18.020 1.465 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . rr_1jdk 1
. 9 . 1612 . 1 1 1 ACE H2 H -1.980 16.744 2.395 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . rr_1jdk 1
. 9 . 1613 . 1 1 1 ACE H3 H -1.095 17.642 1.126 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . rr_1jdk 1
. 9 . 1614 . 1 1 1 ACE O O -3.557 16.322 -0.281 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . rr_1jdk 1
. 9 . 1615 . 1 1 2 ILE C C -1.357 12.701 -0.163 . . . 1.0 . . . . . . . . . . . . A . 2 ILE C . . . . . . . . . rr_1jdk 1
. 9 . 1616 . 1 1 2 ILE CA C -1.951 14.015 -0.770 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CA . . . . . . . . . rr_1jdk 1
. 9 . 1617 . 1 1 2 ILE CB C -1.496 14.389 -2.237 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CB . . . . . . . . . rr_1jdk 1
. 9 . 1618 . 1 1 2 ILE CD1 C -3.664 14.027 -3.610 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CD1 . . . . . . . . . rr_1jdk 1
. 9 . 1619 . 1 1 2 ILE CG1 C -2.225 13.561 -3.333 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG1 . . . . . . . . . rr_1jdk 1
. 9 . 1620 . 1 1 2 ILE CG2 C 0.031 14.384 -2.510 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG2 . . . . . . . . . rr_1jdk 1
. 9 . 1621 . 1 1 2 ILE H H -0.886 15.113 0.829 . . . 1.0 . . . . . . . . . . . . A . 2 ILE H . . . . . . . . . rr_1jdk 1
. 9 . 1622 . 1 1 2 ILE HA H -3.051 13.883 -0.813 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HA . . . . . . . . . rr_1jdk 1
. 9 . 1623 . 1 1 2 ILE HB H -1.796 15.441 -2.409 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HB . . . . . . . . . rr_1jdk 1
. 9 . 1624 . 1 1 2 ILE HD11 H -4.125 13.436 -4.420 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD11 . . . . . . . . . rr_1jdk 1
. 9 . 1625 . 1 1 2 ILE HD12 H -4.313 13.935 -2.721 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD12 . . . . . . . . . rr_1jdk 1
. 9 . 1626 . 1 1 2 ILE HD13 H -3.688 15.087 -3.926 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD13 . . . . . . . . . rr_1jdk 1
. 9 . 1627 . 1 1 2 ILE HG12 H -1.679 13.624 -4.294 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG12 . . . . . . . . . rr_1jdk 1
. 9 . 1628 . 1 1 2 ILE HG13 H -2.218 12.484 -3.075 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG13 . . . . . . . . . rr_1jdk 1
. 9 . 1629 . 1 1 2 ILE HG21 H 0.270 14.833 -3.492 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG21 . . . . . . . . . rr_1jdk 1
. 9 . 1630 . 1 1 2 ILE HG22 H 0.588 14.965 -1.753 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG22 . . . . . . . . . rr_1jdk 1
. 9 . 1631 . 1 1 2 ILE HG23 H 0.454 13.362 -2.521 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG23 . . . . . . . . . rr_1jdk 1
. 9 . 1632 . 1 1 2 ILE N N -1.686 15.121 0.192 . . . 1.0 . . . . . . . . . . . . A . 2 ILE N . . . . . . . . . rr_1jdk 1
. 9 . 1633 . 1 1 2 ILE O O -0.140 12.495 -0.188 . . . 1.0 . . . . . . . . . . . . A . 2 ILE O . . . . . . . . . rr_1jdk 1
. 9 . 1634 . 1 1 3 TRP C C -2.944 9.544 0.947 . . . 1.0 . . . . . . . . . . . . A . 3 TRP C . . . . . . . . . rr_1jdk 1
. 9 . 1635 . 1 1 3 TRP CA C -1.758 10.547 1.026 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CA . . . . . . . . . rr_1jdk 1
. 9 . 1636 . 1 1 3 TRP CB C -1.237 10.750 2.477 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CB . . . . . . . . . rr_1jdk 1
. 9 . 1637 . 1 1 3 TRP CD1 C -0.979 8.556 3.901 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD1 . . . . . . . . . rr_1jdk 1
. 9 . 1638 . 1 1 3 TRP CD2 C 0.876 9.248 2.884 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD2 . . . . . . . . . rr_1jdk 1
. 9 . 1639 . 1 1 3 TRP CE2 C 1.152 8.075 3.629 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE2 . . . . . . . . . rr_1jdk 1
. 9 . 1640 . 1 1 3 TRP CE3 C 1.904 9.890 2.150 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE3 . . . . . . . . . rr_1jdk 1
. 9 . 1641 . 1 1 3 TRP CG C -0.462 9.558 3.052 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CG . . . . . . . . . rr_1jdk 1
. 9 . 1642 . 1 1 3 TRP CH2 C 3.457 8.172 2.902 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CH2 . . . . . . . . . rr_1jdk 1
. 9 . 1643 . 1 1 3 TRP CZ2 C 2.460 7.537 3.646 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ2 . . . . . . . . . rr_1jdk 1
. 9 . 1644 . 1 1 3 TRP CZ3 C 3.183 9.331 2.165 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ3 . . . . . . . . . rr_1jdk 1
. 9 . 1645 . 1 1 3 TRP H H -3.189 12.125 0.483 . . . 1.0 . . . . . . . . . . . . A . 3 TRP H . . . . . . . . . rr_1jdk 1
. 9 . 1646 . 1 1 3 TRP HA H -0.900 10.164 0.435 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HA . . . . . . . . . rr_1jdk 1
. 9 . 1647 . 1 1 3 TRP HB2 H -0.564 11.626 2.503 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB2 . . . . . . . . . rr_1jdk 1
. 9 . 1648 . 1 1 3 TRP HB3 H -2.076 11.012 3.147 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB3 . . . . . . . . . rr_1jdk 1
. 9 . 1649 . 1 1 3 TRP HD1 H -2.003 8.515 4.246 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HD1 . . . . . . . . . rr_1jdk 1
. 9 . 1650 . 1 1 3 TRP HE1 H -0.089 6.804 4.880 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE1 . . . . . . . . . rr_1jdk 1
. 9 . 1651 . 1 1 3 TRP HE3 H 1.706 10.793 1.590 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE3 . . . . . . . . . rr_1jdk 1
. 9 . 1652 . 1 1 3 TRP HH2 H 4.458 7.763 2.898 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HH2 . . . . . . . . . rr_1jdk 1
. 9 . 1653 . 1 1 3 TRP HZ2 H 2.685 6.647 4.216 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ2 . . . . . . . . . rr_1jdk 1
. 9 . 1654 . 1 1 3 TRP HZ3 H 3.976 9.804 1.604 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ3 . . . . . . . . . rr_1jdk 1
. 9 . 1655 . 1 1 3 TRP N N -2.207 11.831 0.425 . . . 1.0 . . . . . . . . . . . . A . 3 TRP N . . . . . . . . . rr_1jdk 1
. 9 . 1656 . 1 1 3 TRP NE1 N 0.008 7.621 4.267 . . . 1.0 . . . . . . . . . . . . A . 3 TRP NE1 . . . . . . . . . rr_1jdk 1
. 9 . 1657 . 1 1 3 TRP O O -3.896 9.627 1.732 . . . 1.0 . . . . . . . . . . . . A . 3 TRP O . . . . . . . . . rr_1jdk 1
. 9 . 1658 . 1 1 4 GLY C C -3.907 6.913 -1.585 . . . 1.0 . . . . . . . . . . . . A . 4 GLY C . . . . . . . . . rr_1jdk 1
. 9 . 1659 . 1 1 4 GLY CA C -3.927 7.584 -0.199 . . . 1.0 . . . . . . . . . . . . A . 4 GLY CA . . . . . . . . . rr_1jdk 1
. 9 . 1660 . 1 1 4 GLY H H -1.997 8.608 -0.538 . . . 1.0 . . . . . . . . . . . . A . 4 GLY H . . . . . . . . . rr_1jdk 1
. 9 . 1661 . 1 1 4 GLY HA2 H -3.830 6.812 0.588 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA2 . . . . . . . . . rr_1jdk 1
. 9 . 1662 . 1 1 4 GLY HA3 H -4.930 8.028 -0.044 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA3 . . . . . . . . . rr_1jdk 1
. 9 . 1663 . 1 1 4 GLY N N -2.877 8.610 -0.011 . . . 1.0 . . . . . . . . . . . . A . 4 GLY N . . . . . . . . . rr_1jdk 1
. 9 . 1664 . 1 1 4 GLY O O -4.798 7.168 -2.399 . . . 1.0 . . . . . . . . . . . . A . 4 GLY O . . . . . . . . . rr_1jdk 1
. 9 . 1665 . 1 1 5 GLU C C -1.940 4.039 -2.822 . . . 1.0 . . . . . . . . . . . . A . 5 GLU C . . . . . . . . . rr_1jdk 1
. 9 . 1666 . 1 1 5 GLU CA C -2.779 5.316 -3.129 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CA . . . . . . . . . rr_1jdk 1
. 9 . 1667 . 1 1 5 GLU CB C -2.165 6.180 -4.278 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CB . . . . . . . . . rr_1jdk 1
. 9 . 1668 . 1 1 5 GLU CD C -2.298 4.326 -6.147 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CD . . . . . . . . . rr_1jdk 1
. 9 . 1669 . 1 1 5 GLU CG C -2.551 5.787 -5.730 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CG . . . . . . . . . rr_1jdk 1
. 9 . 1670 . 1 1 5 GLU H H -2.213 5.959 -1.090 . . . 1.0 . . . . . . . . . . . . A . 5 GLU H . . . . . . . . . rr_1jdk 1
. 9 . 1671 . 1 1 5 GLU HA H -3.799 5.023 -3.454 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HA . . . . . . . . . rr_1jdk 1
. 9 . 1672 . 1 1 5 GLU HB2 H -2.475 7.235 -4.150 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB2 . . . . . . . . . rr_1jdk 1
. 9 . 1673 . 1 1 5 GLU HB3 H -1.065 6.213 -4.179 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB3 . . . . . . . . . rr_1jdk 1
. 9 . 1674 . 1 1 5 GLU HG2 H -3.629 5.994 -5.871 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG2 . . . . . . . . . rr_1jdk 1
. 9 . 1675 . 1 1 5 GLU HG3 H -2.051 6.474 -6.439 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG3 . . . . . . . . . rr_1jdk 1
. 9 . 1676 . 1 1 5 GLU N N -2.901 6.057 -1.844 . . . 1.0 . . . . . . . . . . . . A . 5 GLU N . . . . . . . . . rr_1jdk 1
. 9 . 1677 . 1 1 5 GLU O O -0.711 4.117 -2.709 . . . 1.0 . . . . . . . . . . . . A . 5 GLU O . . . . . . . . . rr_1jdk 1
. 9 . 1678 . 1 1 5 GLU OE1 O -3.189 3.490 -5.969 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE1 . . . . . . . . . rr_1jdk 1
. 9 . 1679 . 1 1 6 SER C C -2.397 0.443 -3.388 . . . 1.0 . . . . . . . . . . . . A . 6 SER C . . . . . . . . . rr_1jdk 1
. 9 . 1680 . 1 1 6 SER CA C -1.941 1.570 -2.393 . . . 1.0 . . . . . . . . . . . . A . 6 SER CA . . . . . . . . . rr_1jdk 1
. 9 . 1681 . 1 1 6 SER CB C -2.128 1.208 -0.891 . . . 1.0 . . . . . . . . . . . . A . 6 SER CB . . . . . . . . . rr_1jdk 1
. 9 . 1682 . 1 1 6 SER H H -3.597 2.926 -2.978 . . . 1.0 . . . . . . . . . . . . A . 6 SER H . . . . . . . . . rr_1jdk 1
. 9 . 1683 . 1 1 6 SER HA H -0.849 1.696 -2.544 . . . 1.0 . . . . . . . . . . . . A . 6 SER HA . . . . . . . . . rr_1jdk 1
. 9 . 1684 . 1 1 6 SER HB2 H -1.543 0.303 -0.627 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB2 . . . . . . . . . rr_1jdk 1
. 9 . 1685 . 1 1 6 SER HB3 H -1.713 1.998 -0.235 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB3 . . . . . . . . . rr_1jdk 1
. 9 . 1686 . 1 1 6 SER HG H -3.805 0.277 -1.123 . . . 1.0 . . . . . . . . . . . . A . 6 SER HG . . . . . . . . . rr_1jdk 1
. 9 . 1687 . 1 1 6 SER N N -2.611 2.877 -2.688 . . . 1.0 . . . . . . . . . . . . A . 6 SER N . . . . . . . . . rr_1jdk 1
. 9 . 1688 . 1 1 6 SER O O -3.214 0.675 -4.287 . . . 1.0 . . . . . . . . . . . . A . 6 SER O . . . . . . . . . rr_1jdk 1
. 9 . 1689 . 1 1 6 SER OG O -3.498 0.991 -0.558 . . . 1.0 . . . . . . . . . . . . A . 6 SER OG . . . . . . . . . rr_1jdk 1
. 9 . 1690 . 1 1 7 GLY C C -1.451 -3.183 -3.706 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . rr_1jdk 1
. 9 . 1691 . 1 1 7 GLY CA C -2.207 -1.915 -4.135 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . rr_1jdk 1
. 9 . 1692 . 1 1 7 GLY H H -1.284 -0.943 -2.407 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . rr_1jdk 1
. 9 . 1693 . 1 1 7 GLY HA2 H -3.295 -2.110 -4.077 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . rr_1jdk 1
. 9 . 1694 . 1 1 7 GLY HA3 H -2.003 -1.659 -5.194 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . rr_1jdk 1
. 9 . 1695 . 1 1 7 GLY N N -1.848 -0.782 -3.249 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . rr_1jdk 1
. 9 . 1696 . 1 1 7 GLY O O -1.902 -3.892 -2.803 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . rr_1jdk 1
. 9 . 1697 . 1 1 8 LYS C C 1.483 -4.328 -2.825 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . rr_1jdk 1
. 9 . 1698 . 1 1 8 LYS CA C 0.547 -4.643 -4.034 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . rr_1jdk 1
. 9 . 1699 . 1 1 8 LYS CB C 1.310 -5.147 -5.292 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . rr_1jdk 1
. 9 . 1700 . 1 1 8 LYS CD C 1.197 -6.333 -7.608 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . rr_1jdk 1
. 9 . 1701 . 1 1 8 LYS CE C 1.851 -5.267 -8.509 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . rr_1jdk 1
. 9 . 1702 . 1 1 8 LYS CG C 0.422 -5.763 -6.401 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . rr_1jdk 1
. 9 . 1703 . 1 1 8 LYS H H -0.049 -2.789 -5.089 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . rr_1jdk 1
. 9 . 1704 . 1 1 8 LYS HA H -0.107 -5.481 -3.715 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . rr_1jdk 1
. 9 . 1705 . 1 1 8 LYS HB2 H 1.920 -4.326 -5.712 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . rr_1jdk 1
. 9 . 1706 . 1 1 8 LYS HB3 H 2.043 -5.916 -4.978 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . rr_1jdk 1
. 9 . 1707 . 1 1 8 LYS HD2 H 1.957 -7.055 -7.252 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . rr_1jdk 1
. 9 . 1708 . 1 1 8 LYS HD3 H 0.490 -6.932 -8.214 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . rr_1jdk 1
. 9 . 1709 . 1 1 8 LYS HE2 H 1.091 -4.549 -8.872 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . rr_1jdk 1
. 9 . 1710 . 1 1 8 LYS HE3 H 2.591 -4.674 -7.941 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . rr_1jdk 1
. 9 . 1711 . 1 1 8 LYS HG2 H -0.179 -6.580 -5.960 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . rr_1jdk 1
. 9 . 1712 . 1 1 8 LYS HG3 H -0.319 -5.021 -6.755 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . rr_1jdk 1
. 9 . 1713 . 1 1 8 LYS HZ1 H 2.985 -5.175 -10.238 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . rr_1jdk 1
. 9 . 1714 . 1 1 8 LYS HZ2 H 3.264 -6.520 -9.350 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . rr_1jdk 1
. 9 . 1715 . 1 1 8 LYS N N -0.305 -3.459 -4.356 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . rr_1jdk 1
. 9 . 1716 . 1 1 8 LYS NZ N 2.519 -5.889 -9.667 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . rr_1jdk 1
. 9 . 1717 . 1 1 8 LYS O O 1.332 -4.950 -1.770 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . rr_1jdk 1
. 9 . 1718 . 1 1 9 LEU C C 3.145 -1.428 -1.713 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . rr_1jdk 1
. 9 . 1719 . 1 1 9 LEU CA C 3.368 -2.959 -1.905 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . rr_1jdk 1
. 9 . 1720 . 1 1 9 LEU CB C 4.811 -3.455 -2.230 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . rr_1jdk 1
. 9 . 1721 . 1 1 9 LEU CD1 C 5.691 -3.880 0.163 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . rr_1jdk 1
. 9 . 1722 . 1 1 9 LEU CD2 C 7.305 -3.497 -1.737 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . rr_1jdk 1
. 9 . 1723 . 1 1 9 LEU CG C 5.911 -3.148 -1.177 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . rr_1jdk 1
. 9 . 1724 . 1 1 9 LEU H H 2.441 -2.939 -3.906 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . rr_1jdk 1
. 9 . 1725 . 1 1 9 LEU HA H 3.076 -3.433 -0.947 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . rr_1jdk 1
. 9 . 1726 . 1 1 9 LEU HB2 H 4.784 -4.550 -2.404 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . rr_1jdk 1
. 9 . 1727 . 1 1 9 LEU HB3 H 5.117 -3.029 -3.206 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . rr_1jdk 1
. 9 . 1728 . 1 1 9 LEU HD11 H 4.744 -3.577 0.645 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . rr_1jdk 1
. 9 . 1729 . 1 1 9 LEU HD12 H 5.659 -4.979 0.037 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . rr_1jdk 1
. 9 . 1730 . 1 1 9 LEU HD13 H 6.496 -3.656 0.888 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . rr_1jdk 1
. 9 . 1731 . 1 1 9 LEU HD21 H 8.108 -3.240 -1.021 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . rr_1jdk 1
. 9 . 1732 . 1 1 9 LEU HD22 H 7.405 -4.574 -1.968 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . rr_1jdk 1
. 9 . 1733 . 1 1 9 LEU HD23 H 7.522 -2.939 -2.666 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . rr_1jdk 1
. 9 . 1734 . 1 1 9 LEU HG H 5.909 -2.062 -0.974 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . rr_1jdk 1
. 9 . 1735 . 1 1 9 LEU N N 2.432 -3.380 -2.981 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . rr_1jdk 1
. 9 . 1736 . 1 1 9 LEU O O 2.368 -1.047 -0.833 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . rr_1jdk 1
. 9 . 1737 . 1 1 10 ILE C C 3.297 1.373 -3.904 . . . 1.0 . . . . . . . . . . . . A . 10 ILE C . . . . . . . . . rr_1jdk 1
. 9 . 1738 . 1 1 10 ILE CA C 3.638 0.912 -2.452 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CA . . . . . . . . . rr_1jdk 1
. 9 . 1739 . 1 1 10 ILE CB C 4.867 1.625 -1.776 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CB . . . . . . . . . rr_1jdk 1
. 9 . 1740 . 1 1 10 ILE CD1 C 6.567 2.833 -3.333 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CD1 . . . . . . . . . rr_1jdk 1
. 9 . 1741 . 1 1 10 ILE CG1 C 6.238 1.565 -2.524 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CG1 . . . . . . . . . rr_1jdk 1
. 9 . 1742 . 1 1 10 ILE CG2 C 5.046 1.204 -0.295 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CG2 . . . . . . . . . rr_1jdk 1
. 9 . 1743 . 1 1 10 ILE H H 4.504 -0.974 -3.135 . . . 1.0 . . . . . . . . . . . . A . 10 ILE H . . . . . . . . . rr_1jdk 1
. 9 . 1744 . 1 1 10 ILE HA H 2.765 1.162 -1.813 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HA . . . . . . . . . rr_1jdk 1
. 9 . 1745 . 1 1 10 ILE HB H 4.582 2.687 -1.714 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HB . . . . . . . . . rr_1jdk 1
. 9 . 1746 . 1 1 10 ILE HD11 H 5.795 3.066 -4.088 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD11 . . . . . . . . . rr_1jdk 1
. 9 . 1747 . 1 1 10 ILE HD12 H 6.654 3.720 -2.677 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD12 . . . . . . . . . rr_1jdk 1
. 9 . 1748 . 1 1 10 ILE HD13 H 7.525 2.728 -3.871 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD13 . . . . . . . . . rr_1jdk 1
. 9 . 1749 . 1 1 10 ILE HG12 H 7.076 1.406 -1.818 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG12 . . . . . . . . . rr_1jdk 1
. 9 . 1750 . 1 1 10 ILE HG13 H 6.276 0.683 -3.191 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG13 . . . . . . . . . rr_1jdk 1
. 9 . 1751 . 1 1 10 ILE HG21 H 4.096 1.251 0.268 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG21 . . . . . . . . . rr_1jdk 1
. 9 . 1752 . 1 1 10 ILE HG22 H 5.421 0.168 -0.202 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG22 . . . . . . . . . rr_1jdk 1
. 9 . 1753 . 1 1 10 ILE HG23 H 5.766 1.858 0.233 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG23 . . . . . . . . . rr_1jdk 1
. 9 . 1754 . 1 1 10 ILE N N 3.791 -0.566 -2.526 . . . 1.0 . . . . . . . . . . . . A . 10 ILE N . . . . . . . . . rr_1jdk 1
. 9 . 1755 . 1 1 10 ILE O O 4.144 1.310 -4.801 . . . 1.0 . . . . . . . . . . . . A . 10 ILE O . . . . . . . . . rr_1jdk 1
. 9 . 1756 . 1 1 11 . C C 2.116 3.697 -5.864 . . . 1.0 . . . . . . . . . . . . A . 11 DAB C . . . . . . . . . rr_1jdk 1
. 9 . 1757 . 1 1 11 . CA C 1.599 2.271 -5.495 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CA . . . . . . . . . rr_1jdk 1
. 9 . 1758 . 1 1 11 . CB C 0.063 2.047 -5.625 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CB . . . . . . . . . rr_1jdk 1
. 9 . 1759 . 1 1 11 . CG C -0.664 2.614 -6.873 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CG . . . . . . . . . rr_1jdk 1
. 9 . 1760 . 1 1 11 . H H 1.382 1.681 -3.373 . . . 1.0 . . . . . . . . . . . . A . 11 DAB H . . . . . . . . . rr_1jdk 1
. 9 . 1761 . 1 1 11 . HA H 2.041 1.589 -6.250 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HA . . . . . . . . . rr_1jdk 1
. 9 . 1762 . 1 1 11 . HB2 H -0.121 0.956 -5.603 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HB2 . . . . . . . . . rr_1jdk 1
. 9 . 1763 . 1 1 11 . HB3 H -0.450 2.417 -4.719 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HB3 . . . . . . . . . rr_1jdk 1
. 9 . 1764 . 1 1 11 . HD2 H -0.440 4.809 -6.758 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HD2 . . . . . . . . . rr_1jdk 1
. 9 . 1765 . 1 1 11 . HG2 H -0.011 2.554 -7.765 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HG2 . . . . . . . . . rr_1jdk 1
. 9 . 1766 . 1 1 11 . HG3 H -1.531 1.971 -7.123 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HG3 . . . . . . . . . rr_1jdk 1
. 9 . 1767 . 1 1 11 . N N 2.043 1.806 -4.148 . . . 1.0 . . . . . . . . . . . . A . 11 DAB N . . . . . . . . . rr_1jdk 1
. 9 . 1768 . 1 1 11 . ND N -1.097 4.020 -6.664 . . . 1.0 . . . . . . . . . . . . A . 11 DAB ND . . . . . . . . . rr_1jdk 1
. 9 . 1769 . 1 1 11 . O O 2.813 3.820 -6.875 . . . 1.0 . . . . . . . . . . . . A . 11 DAB O . . . . . . . . . rr_1jdk 1
. 9 . 1770 . 1 1 12 THR C C 2.551 6.879 -4.062 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_1jdk 1
. 9 . 1771 . 1 1 12 THR CA C 2.214 6.145 -5.395 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_1jdk 1
. 9 . 1772 . 1 1 12 THR CB C 1.232 6.919 -6.338 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_1jdk 1
. 9 . 1773 . 1 1 12 THR CG2 C 1.720 8.318 -6.758 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_1jdk 1
. 9 . 1774 . 1 1 12 THR H H 1.325 4.505 -4.203 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_1jdk 1
. 9 . 1775 . 1 1 12 THR HA H 3.163 6.086 -5.957 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_1jdk 1
. 9 . 1776 . 1 1 12 THR HB H 0.257 7.039 -5.835 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_1jdk 1
. 9 . 1777 . 1 1 12 THR HG1 H 0.558 6.791 -8.138 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG1 . . . . . . . . . rr_1jdk 1
. 9 . 1778 . 1 1 12 THR HG21 H 1.850 8.987 -5.888 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_1jdk 1
. 9 . 1779 . 1 1 12 THR HG22 H 2.689 8.272 -7.288 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_1jdk 1
. 9 . 1780 . 1 1 12 THR HG23 H 0.998 8.811 -7.435 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_1jdk 1
. 9 . 1781 . 1 1 12 THR N N 1.771 4.752 -5.095 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_1jdk 1
. 9 . 1782 . 1 1 12 THR O O 3.732 7.114 -3.791 . . . 1.0 . . . . . . . . . . . . A . 12 THR O . . . . . . . . . rr_1jdk 1
. 9 . 1783 . 1 1 12 THR OG1 O 1.018 6.193 -7.545 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_1jdk 1
. 9 . 1784 . 1 1 13 THR C C 1.056 7.215 -0.778 . . . 1.0 . . . . . . . . . . . . A . 13 THR C . . . . . . . . . rr_1jdk 1
. 9 . 1785 . 1 1 13 THR CA C 1.729 7.972 -1.966 . . . 1.0 . . . . . . . . . . . . A . 13 THR CA . . . . . . . . . rr_1jdk 1
. 9 . 1786 . 1 1 13 THR CB C 1.329 9.471 -2.169 . . . 1.0 . . . . . . . . . . . . A . 13 THR CB . . . . . . . . . rr_1jdk 1
. 9 . 1787 . 1 1 13 THR CG2 C -0.119 9.780 -2.602 . . . 1.0 . . . . . . . . . . . . A . 13 THR CG2 . . . . . . . . . rr_1jdk 1
. 9 . 1788 . 1 1 13 THR H H 0.602 6.983 -3.590 . . . 1.0 . . . . . . . . . . . . A . 13 THR H . . . . . . . . . rr_1jdk 1
. 9 . 1789 . 1 1 13 THR HA H 2.809 8.009 -1.717 . . . 1.0 . . . . . . . . . . . . A . 13 THR HA . . . . . . . . . rr_1jdk 1
. 9 . 1790 . 1 1 13 THR HB H 1.988 9.889 -2.954 . . . 1.0 . . . . . . . . . . . . A . 13 THR HB . . . . . . . . . rr_1jdk 1
. 9 . 1791 . 1 1 13 THR HG1 H 2.536 10.116 -0.813 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG1 . . . . . . . . . rr_1jdk 1
. 9 . 1792 . 1 1 13 THR HG21 H -0.861 9.421 -1.869 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG21 . . . . . . . . . rr_1jdk 1
. 9 . 1793 . 1 1 13 THR HG22 H -0.277 10.869 -2.712 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG22 . . . . . . . . . rr_1jdk 1
. 9 . 1794 . 1 1 13 THR HG23 H -0.367 9.317 -3.574 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG23 . . . . . . . . . rr_1jdk 1
. 9 . 1795 . 1 1 13 THR N N 1.534 7.239 -3.250 . . . 1.0 . . . . . . . . . . . . A . 13 THR N . . . . . . . . . rr_1jdk 1
. 9 . 1796 . 1 1 13 THR O O -0.004 7.603 -0.279 . . . 1.0 . . . . . . . . . . . . A . 13 THR O . . . . . . . . . rr_1jdk 1
. 9 . 1797 . 1 1 13 THR OG1 O 1.594 10.201 -0.980 . . . 1.0 . . . . . . . . . . . . A . 13 THR OG1 . . . . . . . . . rr_1jdk 1
. 9 . 1798 . 1 1 14 ALA C C 2.379 4.466 1.396 . . . 1.0 . . . . . . . . . . . . A . 14 ALA C . . . . . . . . . rr_1jdk 1
. 9 . 1799 . 1 1 14 ALA CA C 1.213 5.287 0.805 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CA . . . . . . . . . rr_1jdk 1
. 9 . 1800 . 1 1 14 ALA CB C 0.047 4.362 0.404 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CB . . . . . . . . . rr_1jdk 1
. 9 . 1801 . 1 1 14 ALA H H 2.557 5.886 -0.839 . . . 1.0 . . . . . . . . . . . . A . 14 ALA H . . . . . . . . . rr_1jdk 1
. 9 . 1802 . 1 1 14 ALA HXT H 3.715 3.165 0.870 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HXT . . . . . . . . . rr_1jdk 1
. 9 . 1803 . 1 1 14 ALA HA H 0.845 5.955 1.608 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HA . . . . . . . . . rr_1jdk 1
. 9 . 1804 . 1 1 14 ALA HB1 H -0.813 4.935 0.014 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB1 . . . . . . . . . rr_1jdk 1
. 9 . 1805 . 1 1 14 ALA HB2 H 0.341 3.636 -0.378 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB2 . . . . . . . . . rr_1jdk 1
. 9 . 1806 . 1 1 14 ALA HB3 H -0.327 3.780 1.267 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB3 . . . . . . . . . rr_1jdk 1
. 9 . 1807 . 1 1 14 ALA N N 1.701 6.121 -0.324 . . . 1.0 . . . . . . . . . . . . A . 14 ALA N . . . . . . . . . rr_1jdk 1
. 9 . 1808 . 1 1 14 ALA O O 2.702 4.512 2.582 . . . 1.0 . . . . . . . . . . . . A . 14 ALA O . . . . . . . . . rr_1jdk 1
. 9 . 1809 . 1 1 14 ALA OXT O 3.001 3.665 0.470 . . . 1.0 . . . . . . . . . . . . A . 14 ALA OXT . . . . . . . . . rr_1jdk 1
. 10 . 1810 . 1 1 1 ACE C C -4.506 -2.698 0.447 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . rr_1jdk 1
. 10 . 1811 . 1 1 1 ACE CH3 C -4.538 -4.177 0.821 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . rr_1jdk 1
. 10 . 1812 . 1 1 1 ACE H1 H -5.364 -4.384 1.527 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . rr_1jdk 1
. 10 . 1813 . 1 1 1 ACE H2 H -4.703 -4.805 -0.074 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . rr_1jdk 1
. 10 . 1814 . 1 1 1 ACE H3 H -3.598 -4.520 1.291 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . rr_1jdk 1
. 10 . 1815 . 1 1 1 ACE O O -5.099 -2.300 -0.558 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . rr_1jdk 1
. 10 . 1816 . 1 1 2 ILE C C -2.302 0.029 1.617 . . . 1.0 . . . . . . . . . . . . A . 2 ILE C . . . . . . . . . rr_1jdk 1
. 10 . 1817 . 1 1 2 ILE CA C -3.691 -0.430 1.065 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CA . . . . . . . . . rr_1jdk 1
. 10 . 1818 . 1 1 2 ILE CB C -4.951 0.358 1.604 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CB . . . . . . . . . rr_1jdk 1
. 10 . 1819 . 1 1 2 ILE CD1 C -5.708 1.716 -0.459 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CD1 . . . . . . . . . rr_1jdk 1
. 10 . 1820 . 1 1 2 ILE CG1 C -5.112 1.762 0.956 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG1 . . . . . . . . . rr_1jdk 1
. 10 . 1821 . 1 1 2 ILE CG2 C -5.089 0.477 3.145 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG2 . . . . . . . . . rr_1jdk 1
. 10 . 1822 . 1 1 2 ILE H H -3.345 -2.389 2.038 . . . 1.0 . . . . . . . . . . . . A . 2 ILE H . . . . . . . . . rr_1jdk 1
. 10 . 1823 . 1 1 2 ILE HA H -3.671 -0.266 -0.030 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HA . . . . . . . . . rr_1jdk 1
. 10 . 1824 . 1 1 2 ILE HB H -5.846 -0.221 1.300 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HB . . . . . . . . . rr_1jdk 1
. 10 . 1825 . 1 1 2 ILE HD11 H -5.779 2.727 -0.900 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD11 . . . . . . . . . rr_1jdk 1
. 10 . 1826 . 1 1 2 ILE HD12 H -5.102 1.096 -1.139 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD12 . . . . . . . . . rr_1jdk 1
. 10 . 1827 . 1 1 2 ILE HD13 H -6.729 1.287 -0.451 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD13 . . . . . . . . . rr_1jdk 1
. 10 . 1828 . 1 1 2 ILE HG12 H -5.780 2.402 1.565 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG12 . . . . . . . . . rr_1jdk 1
. 10 . 1829 . 1 1 2 ILE HG13 H -4.143 2.296 0.941 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG13 . . . . . . . . . rr_1jdk 1
. 10 . 1830 . 1 1 2 ILE HG21 H -4.339 1.160 3.583 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG21 . . . . . . . . . rr_1jdk 1
. 10 . 1831 . 1 1 2 ILE HG22 H -6.082 0.873 3.435 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG22 . . . . . . . . . rr_1jdk 1
. 10 . 1832 . 1 1 2 ILE HG23 H -4.981 -0.502 3.646 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG23 . . . . . . . . . rr_1jdk 1
. 10 . 1833 . 1 1 2 ILE N N -3.823 -1.898 1.278 . . . 1.0 . . . . . . . . . . . . A . 2 ILE N . . . . . . . . . rr_1jdk 1
. 10 . 1834 . 1 1 2 ILE O O -2.120 0.123 2.835 . . . 1.0 . . . . . . . . . . . . A . 2 ILE O . . . . . . . . . rr_1jdk 1
. 10 . 1835 . 1 1 3 TRP C C 0.360 2.045 0.361 . . . 1.0 . . . . . . . . . . . . A . 3 TRP C . . . . . . . . . rr_1jdk 1
. 10 . 1836 . 1 1 3 TRP CA C 0.043 0.746 1.150 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CA . . . . . . . . . rr_1jdk 1
. 10 . 1837 . 1 1 3 TRP CB C 1.156 -0.316 0.947 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CB . . . . . . . . . rr_1jdk 1
. 10 . 1838 . 1 1 3 TRP CD1 C 1.551 -2.096 2.844 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD1 . . . . . . . . . rr_1jdk 1
. 10 . 1839 . 1 1 3 TRP CD2 C 0.288 -2.764 1.142 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD2 . . . . . . . . . rr_1jdk 1
. 10 . 1840 . 1 1 3 TRP CE2 C 0.484 -3.846 2.032 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE2 . . . . . . . . . rr_1jdk 1
. 10 . 1841 . 1 1 3 TRP CE3 C -0.474 -2.927 -0.038 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE3 . . . . . . . . . rr_1jdk 1
. 10 . 1842 . 1 1 3 TRP CG C 0.965 -1.669 1.638 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CG . . . . . . . . . rr_1jdk 1
. 10 . 1843 . 1 1 3 TRP CH2 C -0.797 -5.268 0.549 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CH2 . . . . . . . . . rr_1jdk 1
. 10 . 1844 . 1 1 3 TRP CZ2 C -0.062 -5.117 1.728 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ2 . . . . . . . . . rr_1jdk 1
. 10 . 1845 . 1 1 3 TRP CZ3 C -1.002 -4.187 -0.320 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ3 . . . . . . . . . rr_1jdk 1
. 10 . 1846 . 1 1 3 TRP H H -1.503 0.001 -0.238 . . . 1.0 . . . . . . . . . . . . A . 3 TRP H . . . . . . . . . rr_1jdk 1
. 10 . 1847 . 1 1 3 TRP HA H 0.062 0.983 2.234 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HA . . . . . . . . . rr_1jdk 1
. 10 . 1848 . 1 1 3 TRP HB2 H 1.298 -0.501 -0.132 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB2 . . . . . . . . . rr_1jdk 1
. 10 . 1849 . 1 1 3 TRP HB3 H 2.125 0.110 1.270 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB3 . . . . . . . . . rr_1jdk 1
. 10 . 1850 . 1 1 3 TRP HD1 H 2.170 -1.469 3.469 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HD1 . . . . . . . . . rr_1jdk 1
. 10 . 1851 . 1 1 3 TRP HE1 H 1.579 -4.021 3.901 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE1 . . . . . . . . . rr_1jdk 1
. 10 . 1852 . 1 1 3 TRP HE3 H -0.649 -2.073 -0.681 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE3 . . . . . . . . . rr_1jdk 1
. 10 . 1853 . 1 1 3 TRP HH2 H -1.220 -6.232 0.306 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HH2 . . . . . . . . . rr_1jdk 1
. 10 . 1854 . 1 1 3 TRP HZ2 H 0.088 -5.957 2.391 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ2 . . . . . . . . . rr_1jdk 1
. 10 . 1855 . 1 1 3 TRP HZ3 H -1.585 -4.331 -1.217 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ3 . . . . . . . . . rr_1jdk 1
. 10 . 1856 . 1 1 3 TRP N N -1.316 0.289 0.731 . . . 1.0 . . . . . . . . . . . . A . 3 TRP N . . . . . . . . . rr_1jdk 1
. 10 . 1857 . 1 1 3 TRP NE1 N 1.262 -3.450 3.110 . . . 1.0 . . . . . . . . . . . . A . 3 TRP NE1 . . . . . . . . . rr_1jdk 1
. 10 . 1858 . 1 1 3 TRP O O 0.930 2.013 -0.737 . . . 1.0 . . . . . . . . . . . . A . 3 TRP O . . . . . . . . . rr_1jdk 1
. 10 . 1859 . 1 1 4 GLY C C -0.963 5.051 -0.578 . . . 1.0 . . . . . . . . . . . . A . 4 GLY C . . . . . . . . . rr_1jdk 1
. 10 . 1860 . 1 1 4 GLY CA C 0.179 4.519 0.316 . . . 1.0 . . . . . . . . . . . . A . 4 GLY CA . . . . . . . . . rr_1jdk 1
. 10 . 1861 . 1 1 4 GLY H H -0.596 3.018 1.790 . . . 1.0 . . . . . . . . . . . . A . 4 GLY H . . . . . . . . . rr_1jdk 1
. 10 . 1862 . 1 1 4 GLY HA2 H 0.355 5.252 1.126 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA2 . . . . . . . . . rr_1jdk 1
. 10 . 1863 . 1 1 4 GLY HA3 H 1.132 4.543 -0.249 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA3 . . . . . . . . . rr_1jdk 1
. 10 . 1864 . 1 1 4 GLY N N -0.048 3.186 0.936 . . . 1.0 . . . . . . . . . . . . A . 4 GLY N . . . . . . . . . rr_1jdk 1
. 10 . 1865 . 1 1 4 GLY O O -1.545 6.087 -0.250 . . . 1.0 . . . . . . . . . . . . A . 4 GLY O . . . . . . . . . rr_1jdk 1
. 10 . 1866 . 1 1 5 GLU C C -3.307 3.682 -3.164 . . . 1.0 . . . . . . . . . . . . A . 5 GLU C . . . . . . . . . rr_1jdk 1
. 10 . 1867 . 1 1 5 GLU CA C -2.331 4.795 -2.663 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CA . . . . . . . . . rr_1jdk 1
. 10 . 1868 . 1 1 5 GLU CB C -1.769 5.788 -3.744 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CB . . . . . . . . . rr_1jdk 1
. 10 . 1869 . 1 1 5 GLU CD C -0.807 4.265 -5.695 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CD . . . . . . . . . rr_1jdk 1
. 10 . 1870 . 1 1 5 GLU CG C -1.717 5.427 -5.254 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CG . . . . . . . . . rr_1jdk 1
. 10 . 1871 . 1 1 5 GLU H H -0.703 3.510 -1.819 . . . 1.0 . . . . . . . . . . . . A . 5 GLU H . . . . . . . . . rr_1jdk 1
. 10 . 1872 . 1 1 5 GLU HA H -3.030 5.405 -2.067 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HA . . . . . . . . . rr_1jdk 1
. 10 . 1873 . 1 1 5 GLU HB2 H -2.388 6.704 -3.683 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB2 . . . . . . . . . rr_1jdk 1
. 10 . 1874 . 1 1 5 GLU HB3 H -0.768 6.160 -3.450 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB3 . . . . . . . . . rr_1jdk 1
. 10 . 1875 . 1 1 5 GLU HG2 H -2.746 5.229 -5.613 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG2 . . . . . . . . . rr_1jdk 1
. 10 . 1876 . 1 1 5 GLU HG3 H -1.430 6.328 -5.831 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG3 . . . . . . . . . rr_1jdk 1
. 10 . 1877 . 1 1 5 GLU N N -1.256 4.369 -1.707 . . . 1.0 . . . . . . . . . . . . A . 5 GLU N . . . . . . . . . rr_1jdk 1
. 10 . 1878 . 1 1 5 GLU O O -4.479 3.986 -3.406 . . . 1.0 . . . . . . . . . . . . A . 5 GLU O . . . . . . . . . rr_1jdk 1
. 10 . 1879 . 1 1 5 GLU OE1 O -1.321 3.249 -6.165 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE1 . . . . . . . . . rr_1jdk 1
. 10 . 1880 . 1 1 6 SER C C -3.173 -0.069 -3.237 . . . 1.0 . . . . . . . . . . . . A . 6 SER C . . . . . . . . . rr_1jdk 1
. 10 . 1881 . 1 1 6 SER CA C -3.706 1.293 -3.804 . . . 1.0 . . . . . . . . . . . . A . 6 SER CA . . . . . . . . . rr_1jdk 1
. 10 . 1882 . 1 1 6 SER CB C -3.890 1.348 -5.352 . . . 1.0 . . . . . . . . . . . . A . 6 SER CB . . . . . . . . . rr_1jdk 1
. 10 . 1883 . 1 1 6 SER H H -1.910 2.291 -2.958 . . . 1.0 . . . . . . . . . . . . A . 6 SER H . . . . . . . . . rr_1jdk 1
. 10 . 1884 . 1 1 6 SER HA H -4.715 1.419 -3.368 . . . 1.0 . . . . . . . . . . . . A . 6 SER HA . . . . . . . . . rr_1jdk 1
. 10 . 1885 . 1 1 6 SER HB2 H -4.716 0.678 -5.654 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB2 . . . . . . . . . rr_1jdk 1
. 10 . 1886 . 1 1 6 SER HB3 H -4.201 2.355 -5.686 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB3 . . . . . . . . . rr_1jdk 1
. 10 . 1887 . 1 1 6 SER HG H -2.099 1.699 -5.974 . . . 1.0 . . . . . . . . . . . . A . 6 SER HG . . . . . . . . . rr_1jdk 1
. 10 . 1888 . 1 1 6 SER N N -2.850 2.429 -3.343 . . . 1.0 . . . . . . . . . . . . A . 6 SER N . . . . . . . . . rr_1jdk 1
. 10 . 1889 . 1 1 6 SER O O -2.393 -0.098 -2.276 . . . 1.0 . . . . . . . . . . . . A . 6 SER O . . . . . . . . . rr_1jdk 1
. 10 . 1890 . 1 1 6 SER OG O -2.709 0.956 -6.046 . . . 1.0 . . . . . . . . . . . . A . 6 SER OG . . . . . . . . . rr_1jdk 1
. 10 . 1891 . 1 1 7 GLY C C -1.829 -3.006 -4.023 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . rr_1jdk 1
. 10 . 1892 . 1 1 7 GLY CA C -3.160 -2.558 -3.375 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . rr_1jdk 1
. 10 . 1893 . 1 1 7 GLY H H -4.241 -1.077 -4.611 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . rr_1jdk 1
. 10 . 1894 . 1 1 7 GLY HA2 H -3.082 -2.614 -2.273 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . rr_1jdk 1
. 10 . 1895 . 1 1 7 GLY HA3 H -3.947 -3.292 -3.634 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . rr_1jdk 1
. 10 . 1896 . 1 1 7 GLY N N -3.616 -1.211 -3.809 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . rr_1jdk 1
. 10 . 1897 . 1 1 7 GLY O O -1.797 -3.935 -4.832 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . rr_1jdk 1
. 10 . 1898 . 1 1 8 LYS C C 1.566 -2.139 -2.953 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . rr_1jdk 1
. 10 . 1899 . 1 1 8 LYS CA C 0.635 -2.577 -4.117 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . rr_1jdk 1
. 10 . 1900 . 1 1 8 LYS CB C 0.901 -1.779 -5.425 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . rr_1jdk 1
. 10 . 1901 . 1 1 8 LYS CD C 2.558 -1.227 -7.357 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . rr_1jdk 1
. 10 . 1902 . 1 1 8 LYS CE C 1.700 -1.597 -8.582 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . rr_1jdk 1
. 10 . 1903 . 1 1 8 LYS CG C 2.268 -2.062 -6.093 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . rr_1jdk 1
. 10 . 1904 . 1 1 8 LYS H H -0.947 -1.552 -2.987 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . rr_1jdk 1
. 10 . 1905 . 1 1 8 LYS HA H 0.760 -3.660 -4.326 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . rr_1jdk 1
. 10 . 1906 . 1 1 8 LYS HB2 H 0.102 -2.014 -6.154 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . rr_1jdk 1
. 10 . 1907 . 1 1 8 LYS HB3 H 0.801 -0.693 -5.232 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . rr_1jdk 1
. 10 . 1908 . 1 1 8 LYS HD2 H 2.447 -0.151 -7.124 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . rr_1jdk 1
. 10 . 1909 . 1 1 8 LYS HD3 H 3.628 -1.357 -7.613 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . rr_1jdk 1
. 10 . 1910 . 1 1 8 LYS HE2 H 1.814 -2.670 -8.824 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . rr_1jdk 1
. 10 . 1911 . 1 1 8 LYS HE3 H 0.626 -1.438 -8.369 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . rr_1jdk 1
. 10 . 1912 . 1 1 8 LYS HG2 H 3.073 -1.855 -5.362 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . rr_1jdk 1
. 10 . 1913 . 1 1 8 LYS HG3 H 2.360 -3.139 -6.326 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . rr_1jdk 1
. 10 . 1914 . 1 1 8 LYS HZ1 H 1.477 -1.016 -10.556 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . rr_1jdk 1
. 10 . 1915 . 1 1 8 LYS HZ2 H 1.932 0.206 -9.568 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . rr_1jdk 1
. 10 . 1916 . 1 1 8 LYS N N -0.742 -2.326 -3.630 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . rr_1jdk 1
. 10 . 1917 . 1 1 8 LYS NZ N 2.081 -0.791 -9.757 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . rr_1jdk 1
. 10 . 1918 . 1 1 8 LYS O O 1.507 -0.986 -2.510 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . rr_1jdk 1
. 10 . 1919 . 1 1 9 LEU C C 4.299 -1.503 -1.387 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . rr_1jdk 1
. 10 . 1920 . 1 1 9 LEU CA C 3.395 -2.782 -1.364 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . rr_1jdk 1
. 10 . 1921 . 1 1 9 LEU CB C 4.138 -4.092 -0.968 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . rr_1jdk 1
. 10 . 1922 . 1 1 9 LEU CD1 C 6.480 -4.112 -2.079 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . rr_1jdk 1
. 10 . 1923 . 1 1 9 LEU CD2 C 5.276 -6.269 -1.645 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . rr_1jdk 1
. 10 . 1924 . 1 1 9 LEU CG C 5.093 -4.778 -1.992 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . rr_1jdk 1
. 10 . 1925 . 1 1 9 LEU H H 2.394 -3.967 -2.944 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . rr_1jdk 1
. 10 . 1926 . 1 1 9 LEU HA H 2.733 -2.595 -0.497 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . rr_1jdk 1
. 10 . 1927 . 1 1 9 LEU HB2 H 4.684 -3.925 -0.018 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . rr_1jdk 1
. 10 . 1928 . 1 1 9 LEU HB3 H 3.351 -4.817 -0.679 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . rr_1jdk 1
. 10 . 1929 . 1 1 9 LEU HD11 H 6.994 -4.092 -1.100 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . rr_1jdk 1
. 10 . 1930 . 1 1 9 LEU HD12 H 7.146 -4.641 -2.788 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . rr_1jdk 1
. 10 . 1931 . 1 1 9 LEU HD13 H 6.418 -3.072 -2.436 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . rr_1jdk 1
. 10 . 1932 . 1 1 9 LEU HD21 H 4.310 -6.808 -1.638 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . rr_1jdk 1
. 10 . 1933 . 1 1 9 LEU HD22 H 5.918 -6.788 -2.382 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . rr_1jdk 1
. 10 . 1934 . 1 1 9 LEU HD23 H 5.737 -6.412 -0.650 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . rr_1jdk 1
. 10 . 1935 . 1 1 9 LEU HG H 4.630 -4.735 -2.996 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . rr_1jdk 1
. 10 . 1936 . 1 1 9 LEU N N 2.448 -3.048 -2.493 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . rr_1jdk 1
. 10 . 1937 . 1 1 9 LEU O O 4.668 -1.029 -0.309 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . rr_1jdk 1
. 10 . 1938 . 1 1 10 ILE C C 4.831 1.269 -3.719 . . . 1.0 . . . . . . . . . . . . A . 10 ILE C . . . . . . . . . rr_1jdk 1
. 10 . 1939 . 1 1 10 ILE CA C 5.473 0.283 -2.688 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CA . . . . . . . . . rr_1jdk 1
. 10 . 1940 . 1 1 10 ILE CB C 7.016 -0.020 -2.856 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CB . . . . . . . . . rr_1jdk 1
. 10 . 1941 . 1 1 10 ILE CD1 C 7.944 1.731 -1.155 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CD1 . . . . . . . . . rr_1jdk 1
. 10 . 1942 . 1 1 10 ILE CG1 C 7.929 1.215 -2.602 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CG1 . . . . . . . . . rr_1jdk 1
. 10 . 1943 . 1 1 10 ILE CG2 C 7.464 -0.679 -4.189 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CG2 . . . . . . . . . rr_1jdk 1
. 10 . 1944 . 1 1 10 ILE H H 4.225 -1.445 -3.369 . . . 1.0 . . . . . . . . . . . . A . 10 ILE H . . . . . . . . . rr_1jdk 1
. 10 . 1945 . 1 1 10 ILE HA H 5.400 0.811 -1.717 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HA . . . . . . . . . rr_1jdk 1
. 10 . 1946 . 1 1 10 ILE HB H 7.276 -0.757 -2.070 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HB . . . . . . . . . rr_1jdk 1
. 10 . 1947 . 1 1 10 ILE HD11 H 6.967 2.144 -0.851 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD11 . . . . . . . . . rr_1jdk 1
. 10 . 1948 . 1 1 10 ILE HD12 H 8.208 0.928 -0.443 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD12 . . . . . . . . . rr_1jdk 1
. 10 . 1949 . 1 1 10 ILE HD13 H 8.689 2.537 -1.035 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD13 . . . . . . . . . rr_1jdk 1
. 10 . 1950 . 1 1 10 ILE HG12 H 8.978 0.967 -2.859 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG12 . . . . . . . . . rr_1jdk 1
. 10 . 1951 . 1 1 10 ILE HG13 H 7.657 2.041 -3.286 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG13 . . . . . . . . . rr_1jdk 1
. 10 . 1952 . 1 1 10 ILE HG21 H 6.869 -1.574 -4.443 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG21 . . . . . . . . . rr_1jdk 1
. 10 . 1953 . 1 1 10 ILE HG22 H 7.405 0.014 -5.051 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG22 . . . . . . . . . rr_1jdk 1
. 10 . 1954 . 1 1 10 ILE HG23 H 8.521 -1.010 -4.143 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG23 . . . . . . . . . rr_1jdk 1
. 10 . 1955 . 1 1 10 ILE N N 4.645 -0.957 -2.571 . . . 1.0 . . . . . . . . . . . . A . 10 ILE N . . . . . . . . . rr_1jdk 1
. 10 . 1956 . 1 1 10 ILE O O 5.196 1.268 -4.899 . . . 1.0 . . . . . . . . . . . . A . 10 ILE O . . . . . . . . . rr_1jdk 1
. 10 . 1957 . 1 1 11 . C C 2.684 4.230 -3.216 . . . 1.0 . . . . . . . . . . . . A . 11 DAB C . . . . . . . . . rr_1jdk 1
. 10 . 1958 . 1 1 11 . CA C 3.203 3.113 -4.155 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CA . . . . . . . . . rr_1jdk 1
. 10 . 1959 . 1 1 11 . CB C 2.085 2.493 -5.047 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CB . . . . . . . . . rr_1jdk 1
. 10 . 1960 . 1 1 11 . CG C 1.488 3.428 -6.131 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CG . . . . . . . . . rr_1jdk 1
. 10 . 1961 . 1 1 11 . H H 3.533 2.000 -2.313 . . . 1.0 . . . . . . . . . . . . A . 11 DAB H . . . . . . . . . rr_1jdk 1
. 10 . 1962 . 1 1 11 . HA H 3.964 3.546 -4.837 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HA . . . . . . . . . rr_1jdk 1
. 10 . 1963 . 1 1 11 . HB2 H 2.514 1.621 -5.575 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HB2 . . . . . . . . . rr_1jdk 1
. 10 . 1964 . 1 1 11 . HB3 H 1.275 2.064 -4.424 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HB3 . . . . . . . . . rr_1jdk 1
. 10 . 1965 . 1 1 11 . HD2 H 0.824 5.323 -5.197 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HD2 . . . . . . . . . rr_1jdk 1
. 10 . 1966 . 1 1 11 . HG2 H 2.305 3.958 -6.655 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HG2 . . . . . . . . . rr_1jdk 1
. 10 . 1967 . 1 1 11 . HG3 H 1.023 2.806 -6.920 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HG3 . . . . . . . . . rr_1jdk 1
. 10 . 1968 . 1 1 11 . N N 3.859 2.107 -3.282 . . . 1.0 . . . . . . . . . . . . A . 11 DAB N . . . . . . . . . rr_1jdk 1
. 10 . 1969 . 1 1 11 . ND N 0.522 4.435 -5.617 . . . 1.0 . . . . . . . . . . . . A . 11 DAB ND . . . . . . . . . rr_1jdk 1
. 10 . 1970 . 1 1 11 . O O 1.574 4.122 -2.690 . . . 1.0 . . . . . . . . . . . . A . 11 DAB O . . . . . . . . . rr_1jdk 1
. 10 . 1971 . 1 1 12 THR C C 2.890 7.676 -3.065 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_1jdk 1
. 10 . 1972 . 1 1 12 THR CA C 3.078 6.439 -2.142 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_1jdk 1
. 10 . 1973 . 1 1 12 THR CB C 4.089 6.650 -0.973 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_1jdk 1
. 10 . 1974 . 1 1 12 THR CG2 C 3.667 7.742 0.027 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_1jdk 1
. 10 . 1975 . 1 1 12 THR H H 4.409 5.219 -3.441 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_1jdk 1
. 10 . 1976 . 1 1 12 THR HA H 2.104 6.219 -1.659 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_1jdk 1
. 10 . 1977 . 1 1 12 THR HB H 5.083 6.924 -1.376 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_1jdk 1
. 10 . 1978 . 1 1 12 THR HG1 H 4.445 4.761 -0.862 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG1 . . . . . . . . . rr_1jdk 1
. 10 . 1979 . 1 1 12 THR HG21 H 2.687 7.519 0.487 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_1jdk 1
. 10 . 1980 . 1 1 12 THR HG22 H 4.401 7.837 0.848 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_1jdk 1
. 10 . 1981 . 1 1 12 THR HG23 H 3.591 8.734 -0.454 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_1jdk 1
. 10 . 1982 . 1 1 12 THR N N 3.480 5.294 -3.010 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_1jdk 1
. 10 . 1983 . 1 1 12 THR O O 3.863 8.306 -3.490 . . . 1.0 . . . . . . . . . . . . A . 12 THR O . . . . . . . . . rr_1jdk 1
. 10 . 1984 . 1 1 12 THR OG1 O 4.225 5.444 -0.225 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_1jdk 1
. 10 . 1985 . 1 1 13 THR C C 0.001 9.808 -3.590 . . . 1.0 . . . . . . . . . . . . A . 13 THR C . . . . . . . . . rr_1jdk 1
. 10 . 1986 . 1 1 13 THR CA C 1.250 9.146 -4.242 . . . 1.0 . . . . . . . . . . . . A . 13 THR CA . . . . . . . . . rr_1jdk 1
. 10 . 1987 . 1 1 13 THR CB C 1.005 8.685 -5.713 . . . 1.0 . . . . . . . . . . . . A . 13 THR CB . . . . . . . . . rr_1jdk 1
. 10 . 1988 . 1 1 13 THR CG2 C 0.718 9.837 -6.692 . . . 1.0 . . . . . . . . . . . . A . 13 THR CG2 . . . . . . . . . rr_1jdk 1
. 10 . 1989 . 1 1 13 THR H H 0.908 7.385 -2.953 . . . 1.0 . . . . . . . . . . . . A . 13 THR H . . . . . . . . . rr_1jdk 1
. 10 . 1990 . 1 1 13 THR HA H 2.084 9.879 -4.264 . . . 1.0 . . . . . . . . . . . . A . 13 THR HA . . . . . . . . . rr_1jdk 1
. 10 . 1991 . 1 1 13 THR HB H 0.143 7.990 -5.738 . . . 1.0 . . . . . . . . . . . . A . 13 THR HB . . . . . . . . . rr_1jdk 1
. 10 . 1992 . 1 1 13 THR HG1 H 2.876 8.601 -6.159 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG1 . . . . . . . . . rr_1jdk 1
. 10 . 1993 . 1 1 13 THR HG21 H -0.197 10.393 -6.415 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG21 . . . . . . . . . rr_1jdk 1
. 10 . 1994 . 1 1 13 THR HG22 H 1.550 10.564 -6.728 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG22 . . . . . . . . . rr_1jdk 1
. 10 . 1995 . 1 1 13 THR HG23 H 0.566 9.460 -7.720 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG23 . . . . . . . . . rr_1jdk 1
. 10 . 1996 . 1 1 13 THR N N 1.619 7.996 -3.371 . . . 1.0 . . . . . . . . . . . . A . 13 THR N . . . . . . . . . rr_1jdk 1
. 10 . 1997 . 1 1 13 THR O O -1.094 9.233 -3.595 . . . 1.0 . . . . . . . . . . . . A . 13 THR O . . . . . . . . . rr_1jdk 1
. 10 . 1998 . 1 1 13 THR OG1 O 2.140 7.988 -6.219 . . . 1.0 . . . . . . . . . . . . A . 13 THR OG1 . . . . . . . . . rr_1jdk 1
. 10 . 1999 . 1 1 14 ALA C C -1.725 12.600 -3.427 . . . 1.0 . . . . . . . . . . . . A . 14 ALA C . . . . . . . . . rr_1jdk 1
. 10 . 2000 . 1 1 14 ALA CA C -0.922 11.781 -2.388 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CA . . . . . . . . . rr_1jdk 1
. 10 . 2001 . 1 1 14 ALA CB C -0.314 12.652 -1.273 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CB . . . . . . . . . rr_1jdk 1
. 10 . 2002 . 1 1 14 ALA H H 1.129 11.398 -3.100 . . . 1.0 . . . . . . . . . . . . A . 14 ALA H . . . . . . . . . rr_1jdk 1
. 10 . 2003 . 1 1 14 ALA HXT H -2.754 10.965 -3.652 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HXT . . . . . . . . . rr_1jdk 1
. 10 . 2004 . 1 1 14 ALA HA H -1.618 11.077 -1.889 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HA . . . . . . . . . rr_1jdk 1
. 10 . 2005 . 1 1 14 ALA HB1 H 0.407 13.395 -1.664 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB1 . . . . . . . . . rr_1jdk 1
. 10 . 2006 . 1 1 14 ALA HB2 H -1.096 13.215 -0.731 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB2 . . . . . . . . . rr_1jdk 1
. 10 . 2007 . 1 1 14 ALA HB3 H 0.218 12.042 -0.518 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB3 . . . . . . . . . rr_1jdk 1
. 10 . 2008 . 1 1 14 ALA N N 0.173 11.028 -3.046 . . . 1.0 . . . . . . . . . . . . A . 14 ALA N . . . . . . . . . rr_1jdk 1
. 10 . 2009 . 1 1 14 ALA O O -1.476 13.768 -3.734 . . . 1.0 . . . . . . . . . . . . A . 14 ALA O . . . . . . . . . rr_1jdk 1
. 10 . 2010 . 1 1 14 ALA OXT O -2.741 11.866 -3.983 . . . 1.0 . . . . . . . . . . . . A . 14 ALA OXT . . . . . . . . . rr_1jdk 1
. 11 . 2011 . 1 1 1 ACE C C -5.988 -1.515 -2.554 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . rr_1jdk 1
. 11 . 2012 . 1 1 1 ACE CH3 C -5.676 -2.992 -2.345 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . rr_1jdk 1
. 11 . 2013 . 1 1 1 ACE H1 H -5.210 -3.431 -3.248 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . rr_1jdk 1
. 11 . 2014 . 1 1 1 ACE H2 H -4.970 -3.147 -1.508 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . rr_1jdk 1
. 11 . 2015 . 1 1 1 ACE H3 H -6.592 -3.573 -2.133 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . rr_1jdk 1
. 11 . 2016 . 1 1 1 ACE O O -5.786 -0.982 -3.649 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . rr_1jdk 1
. 11 . 2017 . 1 1 2 ILE C C -6.555 1.193 -0.102 . . . 1.0 . . . . . . . . . . . . A . 2 ILE C . . . . . . . . . rr_1jdk 1
. 11 . 2018 . 1 1 2 ILE CA C -6.851 0.573 -1.510 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CA . . . . . . . . . rr_1jdk 1
. 11 . 2019 . 1 1 2 ILE CB C -8.297 0.811 -2.103 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CB . . . . . . . . . rr_1jdk 1
. 11 . 2020 . 1 1 2 ILE CD1 C -7.833 2.531 -3.990 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CD1 . . . . . . . . . rr_1jdk 1
. 11 . 2021 . 1 1 2 ILE CG1 C -8.513 2.255 -2.640 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG1 . . . . . . . . . rr_1jdk 1
. 11 . 2022 . 1 1 2 ILE CG2 C -9.492 0.416 -1.195 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG2 . . . . . . . . . rr_1jdk 1
. 11 . 2023 . 1 1 2 ILE H H -6.572 -1.459 -0.652 . . . 1.0 . . . . . . . . . . . . A . 2 ILE H . . . . . . . . . rr_1jdk 1
. 11 . 2024 . 1 1 2 ILE HA H -6.156 1.065 -2.220 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HA . . . . . . . . . rr_1jdk 1
. 11 . 2025 . 1 1 2 ILE HB H -8.395 0.147 -2.984 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HB . . . . . . . . . rr_1jdk 1
. 11 . 2026 . 1 1 2 ILE HD11 H -8.173 1.819 -4.767 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD11 . . . . . . . . . rr_1jdk 1
. 11 . 2027 . 1 1 2 ILE HD12 H -8.067 3.546 -4.355 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD12 . . . . . . . . . rr_1jdk 1
. 11 . 2028 . 1 1 2 ILE HD13 H -6.734 2.450 -3.928 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD13 . . . . . . . . . rr_1jdk 1
. 11 . 2029 . 1 1 2 ILE HG12 H -9.593 2.456 -2.783 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG12 . . . . . . . . . rr_1jdk 1
. 11 . 2030 . 1 1 2 ILE HG13 H -8.183 3.001 -1.890 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG13 . . . . . . . . . rr_1jdk 1
. 11 . 2031 . 1 1 2 ILE HG21 H -9.620 1.105 -0.340 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG21 . . . . . . . . . rr_1jdk 1
. 11 . 2032 . 1 1 2 ILE HG22 H -10.449 0.434 -1.752 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG22 . . . . . . . . . rr_1jdk 1
. 11 . 2033 . 1 1 2 ILE HG23 H -9.384 -0.605 -0.787 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG23 . . . . . . . . . rr_1jdk 1
. 11 . 2034 . 1 1 2 ILE N N -6.489 -0.874 -1.489 . . . 1.0 . . . . . . . . . . . . A . 2 ILE N . . . . . . . . . rr_1jdk 1
. 11 . 2035 . 1 1 2 ILE O O -7.356 1.067 0.828 . . . 1.0 . . . . . . . . . . . . A . 2 ILE O . . . . . . . . . rr_1jdk 1
. 11 . 2036 . 1 1 3 TRP C C -4.042 3.663 0.921 . . . 1.0 . . . . . . . . . . . . A . 3 TRP C . . . . . . . . . rr_1jdk 1
. 11 . 2037 . 1 1 3 TRP CA C -4.970 2.486 1.335 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CA . . . . . . . . . rr_1jdk 1
. 11 . 2038 . 1 1 3 TRP CB C -4.297 1.472 2.298 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CB . . . . . . . . . rr_1jdk 1
. 11 . 2039 . 1 1 3 TRP CD1 C -2.748 2.540 4.120 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD1 . . . . . . . . . rr_1jdk 1
. 11 . 2040 . 1 1 3 TRP CD2 C -4.832 2.134 4.785 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD2 . . . . . . . . . rr_1jdk 1
. 11 . 2041 . 1 1 3 TRP CE2 C -4.100 2.725 5.847 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE2 . . . . . . . . . rr_1jdk 1
. 11 . 2042 . 1 1 3 TRP CE3 C -6.193 1.772 4.965 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE3 . . . . . . . . . rr_1jdk 1
. 11 . 2043 . 1 1 3 TRP CG C -3.988 2.022 3.695 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CG . . . . . . . . . rr_1jdk 1
. 11 . 2044 . 1 1 3 TRP CH2 C -6.066 2.604 7.252 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CH2 . . . . . . . . . rr_1jdk 1
. 11 . 2045 . 1 1 3 TRP CZ2 C -4.726 2.963 7.094 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ2 . . . . . . . . . rr_1jdk 1
. 11 . 2046 . 1 1 3 TRP CZ3 C -6.787 2.017 6.205 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ3 . . . . . . . . . rr_1jdk 1
. 11 . 2047 . 1 1 3 TRP H H -4.733 1.808 -0.739 . . . 1.0 . . . . . . . . . . . . A . 3 TRP H . . . . . . . . . rr_1jdk 1
. 11 . 2048 . 1 1 3 TRP HA H -5.874 2.873 1.852 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HA . . . . . . . . . rr_1jdk 1
. 11 . 2049 . 1 1 3 TRP HB2 H -4.958 0.594 2.419 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB2 . . . . . . . . . rr_1jdk 1
. 11 . 2050 . 1 1 3 TRP HB3 H -3.370 1.078 1.840 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB3 . . . . . . . . . rr_1jdk 1
. 11 . 2051 . 1 1 3 TRP HD1 H -1.866 2.595 3.497 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HD1 . . . . . . . . . rr_1jdk 1
. 11 . 2052 . 1 1 3 TRP HE1 H -2.044 3.406 6.010 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE1 . . . . . . . . . rr_1jdk 1
. 11 . 2053 . 1 1 3 TRP HE3 H -6.761 1.310 4.169 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE3 . . . . . . . . . rr_1jdk 1
. 11 . 2054 . 1 1 3 TRP HH2 H -6.554 2.780 8.199 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HH2 . . . . . . . . . rr_1jdk 1
. 11 . 2055 . 1 1 3 TRP HZ2 H -4.179 3.412 7.910 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ2 . . . . . . . . . rr_1jdk 1
. 11 . 2056 . 1 1 3 TRP HZ3 H -7.822 1.747 6.359 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ3 . . . . . . . . . rr_1jdk 1
. 11 . 2057 . 1 1 3 TRP N N -5.380 1.837 0.061 . . . 1.0 . . . . . . . . . . . . A . 3 TRP N . . . . . . . . . rr_1jdk 1
. 11 . 2058 . 1 1 3 TRP NE1 N -2.797 2.987 5.454 . . . 1.0 . . . . . . . . . . . . A . 3 TRP NE1 . . . . . . . . . rr_1jdk 1
. 11 . 2059 . 1 1 3 TRP O O -2.879 3.451 0.559 . . . 1.0 . . . . . . . . . . . . A . 3 TRP O . . . . . . . . . rr_1jdk 1
. 11 . 2060 . 1 1 4 GLY C C -3.901 6.381 -0.953 . . . 1.0 . . . . . . . . . . . . A . 4 GLY C . . . . . . . . . rr_1jdk 1
. 11 . 2061 . 1 1 4 GLY CA C -3.809 6.113 0.565 . . . 1.0 . . . . . . . . . . . . A . 4 GLY CA . . . . . . . . . rr_1jdk 1
. 11 . 2062 . 1 1 4 GLY H H -5.560 4.908 1.259 . . . 1.0 . . . . . . . . . . . . A . 4 GLY H . . . . . . . . . rr_1jdk 1
. 11 . 2063 . 1 1 4 GLY HA2 H -4.201 6.992 1.106 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA2 . . . . . . . . . rr_1jdk 1
. 11 . 2064 . 1 1 4 GLY HA3 H -2.745 6.060 0.878 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA3 . . . . . . . . . rr_1jdk 1
. 11 . 2065 . 1 1 4 GLY N N -4.574 4.898 0.968 . . . 1.0 . . . . . . . . . . . . A . 4 GLY N . . . . . . . . . rr_1jdk 1
. 11 . 2066 . 1 1 4 GLY O O -4.598 7.300 -1.387 . . . 1.0 . . . . . . . . . . . . A . 4 GLY O . . . . . . . . . rr_1jdk 1
. 11 . 2067 . 1 1 5 GLU C C -3.630 4.290 -3.832 . . . 1.0 . . . . . . . . . . . . A . 5 GLU C . . . . . . . . . rr_1jdk 1
. 11 . 2068 . 1 1 5 GLU CA C -3.123 5.630 -3.215 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CA . . . . . . . . . rr_1jdk 1
. 11 . 2069 . 1 1 5 GLU CB C -1.740 6.202 -3.643 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CB . . . . . . . . . rr_1jdk 1
. 11 . 2070 . 1 1 5 GLU CD C -0.658 4.857 -5.642 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CD . . . . . . . . . rr_1jdk 1
. 11 . 2071 . 1 1 5 GLU CG C -1.341 6.148 -5.140 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CG . . . . . . . . . rr_1jdk 1
. 11 . 2072 . 1 1 5 GLU H H -2.712 4.805 -1.208 . . . 1.0 . . . . . . . . . . . . A . 5 GLU H . . . . . . . . . rr_1jdk 1
. 11 . 2073 . 1 1 5 GLU HA H -3.860 6.361 -3.566 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HA . . . . . . . . . rr_1jdk 1
. 11 . 2074 . 1 1 5 GLU HB2 H -1.729 7.271 -3.354 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB2 . . . . . . . . . rr_1jdk 1
. 11 . 2075 . 1 1 5 GLU HB3 H -0.925 5.764 -3.037 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB3 . . . . . . . . . rr_1jdk 1
. 11 . 2076 . 1 1 5 GLU HG2 H -2.222 6.372 -5.771 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG2 . . . . . . . . . rr_1jdk 1
. 11 . 2077 . 1 1 5 GLU HG3 H -0.644 6.983 -5.349 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG3 . . . . . . . . . rr_1jdk 1
. 11 . 2078 . 1 1 5 GLU N N -3.167 5.565 -1.728 . . . 1.0 . . . . . . . . . . . . A . 5 GLU N . . . . . . . . . rr_1jdk 1
. 11 . 2079 . 1 1 5 GLU O O -4.607 4.302 -4.586 . . . 1.0 . . . . . . . . . . . . A . 5 GLU O . . . . . . . . . rr_1jdk 1
. 11 . 2080 . 1 1 5 GLU OE1 O -1.071 4.302 -6.661 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE1 . . . . . . . . . rr_1jdk 1
. 11 . 2081 . 1 1 6 SER C C -2.956 0.735 -2.968 . . . 1.0 . . . . . . . . . . . . A . 6 SER C . . . . . . . . . rr_1jdk 1
. 11 . 2082 . 1 1 6 SER CA C -3.379 1.809 -4.025 . . . 1.0 . . . . . . . . . . . . A . 6 SER CA . . . . . . . . . rr_1jdk 1
. 11 . 2083 . 1 1 6 SER CB C -2.975 1.588 -5.512 . . . 1.0 . . . . . . . . . . . . A . 6 SER CB . . . . . . . . . rr_1jdk 1
. 11 . 2084 . 1 1 6 SER H H -2.300 3.291 -2.774 . . . 1.0 . . . . . . . . . . . . A . 6 SER H . . . . . . . . . rr_1jdk 1
. 11 . 2085 . 1 1 6 SER HA H -4.486 1.764 -4.013 . . . 1.0 . . . . . . . . . . . . A . 6 SER HA . . . . . . . . . rr_1jdk 1
. 11 . 2086 . 1 1 6 SER HB2 H -3.407 0.640 -5.883 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB2 . . . . . . . . . rr_1jdk 1
. 11 . 2087 . 1 1 6 SER HB3 H -3.405 2.377 -6.158 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB3 . . . . . . . . . rr_1jdk 1
. 11 . 2088 . 1 1 6 SER HG H -1.262 2.463 -5.571 . . . 1.0 . . . . . . . . . . . . A . 6 SER HG . . . . . . . . . rr_1jdk 1
. 11 . 2089 . 1 1 6 SER N N -2.973 3.157 -3.532 . . . 1.0 . . . . . . . . . . . . A . 6 SER N . . . . . . . . . rr_1jdk 1
. 11 . 2090 . 1 1 6 SER O O -3.158 0.950 -1.768 . . . 1.0 . . . . . . . . . . . . A . 6 SER O . . . . . . . . . rr_1jdk 1
. 11 . 2091 . 1 1 6 SER OG O -1.563 1.557 -5.686 . . . 1.0 . . . . . . . . . . . . A . 6 SER OG . . . . . . . . . rr_1jdk 1
. 11 . 2092 . 1 1 7 GLY C C -1.534 -2.755 -3.150 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . rr_1jdk 1
. 11 . 2093 . 1 1 7 GLY CA C -2.009 -1.486 -2.428 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . rr_1jdk 1
. 11 . 2094 . 1 1 7 GLY H H -2.293 -0.514 -4.393 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . rr_1jdk 1
. 11 . 2095 . 1 1 7 GLY HA2 H -1.231 -1.098 -1.740 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . rr_1jdk 1
. 11 . 2096 . 1 1 7 GLY HA3 H -2.863 -1.752 -1.776 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . rr_1jdk 1
. 11 . 2097 . 1 1 7 GLY N N -2.418 -0.428 -3.378 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . rr_1jdk 1
. 11 . 2098 . 1 1 7 GLY O O -2.350 -3.614 -3.495 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . rr_1jdk 1
. 11 . 2099 . 1 1 8 LYS C C 1.803 -4.332 -3.386 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . rr_1jdk 1
. 11 . 2100 . 1 1 8 LYS CA C 0.422 -4.028 -4.041 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . rr_1jdk 1
. 11 . 2101 . 1 1 8 LYS CB C 0.403 -3.935 -5.598 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . rr_1jdk 1
. 11 . 2102 . 1 1 8 LYS CD C 0.914 -2.662 -7.813 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . rr_1jdk 1
. 11 . 2103 . 1 1 8 LYS CE C 1.852 -3.656 -8.523 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . rr_1jdk 1
. 11 . 2104 . 1 1 8 LYS CG C 1.016 -2.680 -6.274 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . rr_1jdk 1
. 11 . 2105 . 1 1 8 LYS H H 0.342 -2.063 -3.033 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . rr_1jdk 1
. 11 . 2106 . 1 1 8 LYS HA H -0.190 -4.924 -3.809 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . rr_1jdk 1
. 11 . 2107 . 1 1 8 LYS HB2 H 0.890 -4.842 -6.003 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . rr_1jdk 1
. 11 . 2108 . 1 1 8 LYS HB3 H -0.650 -4.020 -5.929 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . rr_1jdk 1
. 11 . 2109 . 1 1 8 LYS HD2 H -0.137 -2.834 -8.117 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . rr_1jdk 1
. 11 . 2110 . 1 1 8 LYS HD3 H 1.150 -1.636 -8.158 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . rr_1jdk 1
. 11 . 2111 . 1 1 8 LYS HE2 H 2.902 -3.481 -8.220 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . rr_1jdk 1
. 11 . 2112 . 1 1 8 LYS HE3 H 1.616 -4.696 -8.228 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . rr_1jdk 1
. 11 . 2113 . 1 1 8 LYS HG2 H 0.504 -1.780 -5.884 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . rr_1jdk 1
. 11 . 2114 . 1 1 8 LYS HG3 H 2.075 -2.556 -5.986 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . rr_1jdk 1
. 11 . 2115 . 1 1 8 LYS HZ1 H 2.341 -4.230 -10.450 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . rr_1jdk 1
. 11 . 2116 . 1 1 8 LYS HZ2 H 0.788 -3.745 -10.293 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . rr_1jdk 1
. 11 . 2117 . 1 1 8 LYS N N -0.212 -2.860 -3.364 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . rr_1jdk 1
. 11 . 2118 . 1 1 8 LYS NZ N 1.745 -3.534 -9.988 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . rr_1jdk 1
. 11 . 2119 . 1 1 8 LYS O O 1.945 -5.368 -2.731 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . rr_1jdk 1
. 11 . 2120 . 1 1 9 LEU C C 4.348 -2.423 -1.955 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . rr_1jdk 1
. 11 . 2121 . 1 1 9 LEU CA C 4.164 -3.592 -2.968 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . rr_1jdk 1
. 11 . 2122 . 1 1 9 LEU CB C 5.290 -3.668 -4.050 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . rr_1jdk 1
. 11 . 2123 . 1 1 9 LEU CD1 C 6.246 -4.522 -6.252 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . rr_1jdk 1
. 11 . 2124 . 1 1 9 LEU CD2 C 5.048 -6.148 -4.740 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . rr_1jdk 1
. 11 . 2125 . 1 1 9 LEU CG C 5.120 -4.682 -5.211 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . rr_1jdk 1
. 11 . 2126 . 1 1 9 LEU H H 2.547 -2.632 -4.130 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . rr_1jdk 1
. 11 . 2127 . 1 1 9 LEU HA H 4.229 -4.530 -2.382 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . rr_1jdk 1
. 11 . 2128 . 1 1 9 LEU HB2 H 5.411 -2.668 -4.509 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . rr_1jdk 1
. 11 . 2129 . 1 1 9 LEU HB3 H 6.255 -3.857 -3.541 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . rr_1jdk 1
. 11 . 2130 . 1 1 9 LEU HD11 H 6.285 -3.493 -6.655 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . rr_1jdk 1
. 11 . 2131 . 1 1 9 LEU HD12 H 7.242 -4.746 -5.826 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . rr_1jdk 1
. 11 . 2132 . 1 1 9 LEU HD13 H 6.099 -5.194 -7.118 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . rr_1jdk 1
. 11 . 2133 . 1 1 9 LEU HD21 H 4.198 -6.317 -4.054 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . rr_1jdk 1
. 11 . 2134 . 1 1 9 LEU HD22 H 4.907 -6.844 -5.587 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . rr_1jdk 1
. 11 . 2135 . 1 1 9 LEU HD23 H 5.965 -6.459 -4.207 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . rr_1jdk 1
. 11 . 2136 . 1 1 9 LEU HG H 4.172 -4.420 -5.714 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . rr_1jdk 1
. 11 . 2137 . 1 1 9 LEU N N 2.800 -3.442 -3.555 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . rr_1jdk 1
. 11 . 2138 . 1 1 9 LEU O O 4.344 -2.651 -0.743 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . rr_1jdk 1
. 11 . 2139 . 1 1 10 ILE C C 4.035 1.243 -2.421 . . . 1.0 . . . . . . . . . . . . A . 10 ILE C . . . . . . . . . rr_1jdk 1
. 11 . 2140 . 1 1 10 ILE CA C 4.654 0.042 -1.633 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CA . . . . . . . . . rr_1jdk 1
. 11 . 2141 . 1 1 10 ILE CB C 6.127 0.227 -1.089 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CB . . . . . . . . . rr_1jdk 1
. 11 . 2142 . 1 1 10 ILE CD1 C 5.616 0.806 1.390 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CD1 . . . . . . . . . rr_1jdk 1
. 11 . 2143 . 1 1 10 ILE CG1 C 6.237 1.265 0.064 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CG1 . . . . . . . . . rr_1jdk 1
. 11 . 2144 . 1 1 10 ILE CG2 C 7.228 0.528 -2.140 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CG2 . . . . . . . . . rr_1jdk 1
. 11 . 2145 . 1 1 10 ILE H H 4.510 -1.195 -3.492 . . . 1.0 . . . . . . . . . . . . A . 10 ILE H . . . . . . . . . rr_1jdk 1
. 11 . 2146 . 1 1 10 ILE HA H 4.015 -0.101 -0.740 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HA . . . . . . . . . rr_1jdk 1
. 11 . 2147 . 1 1 10 ILE HB H 6.423 -0.746 -0.649 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HB . . . . . . . . . rr_1jdk 1
. 11 . 2148 . 1 1 10 ILE HD11 H 4.523 0.670 1.312 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD11 . . . . . . . . . rr_1jdk 1
. 11 . 2149 . 1 1 10 ILE HD12 H 6.050 -0.154 1.727 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD12 . . . . . . . . . rr_1jdk 1
. 11 . 2150 . 1 1 10 ILE HD13 H 5.799 1.548 2.187 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD13 . . . . . . . . . rr_1jdk 1
. 11 . 2151 . 1 1 10 ILE HG12 H 7.301 1.490 0.271 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG12 . . . . . . . . . rr_1jdk 1
. 11 . 2152 . 1 1 10 ILE HG13 H 5.796 2.232 -0.245 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG13 . . . . . . . . . rr_1jdk 1
. 11 . 2153 . 1 1 10 ILE HG21 H 7.149 1.547 -2.562 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG21 . . . . . . . . . rr_1jdk 1
. 11 . 2154 . 1 1 10 ILE HG22 H 8.241 0.459 -1.697 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG22 . . . . . . . . . rr_1jdk 1
. 11 . 2155 . 1 1 10 ILE HG23 H 7.209 -0.183 -2.985 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG23 . . . . . . . . . rr_1jdk 1
. 11 . 2156 . 1 1 10 ILE N N 4.498 -1.183 -2.466 . . . 1.0 . . . . . . . . . . . . A . 10 ILE N . . . . . . . . . rr_1jdk 1
. 11 . 2157 . 1 1 10 ILE O O 4.727 1.879 -3.223 . . . 1.0 . . . . . . . . . . . . A . 10 ILE O . . . . . . . . . rr_1jdk 1
. 11 . 2158 . 1 1 11 . C C 0.991 3.260 -1.951 . . . 1.0 . . . . . . . . . . . . A . 11 DAB C . . . . . . . . . rr_1jdk 1
. 11 . 2159 . 1 1 11 . CA C 2.057 2.676 -2.924 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CA . . . . . . . . . rr_1jdk 1
. 11 . 2160 . 1 1 11 . CB C 1.475 2.217 -4.300 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CB . . . . . . . . . rr_1jdk 1
. 11 . 2161 . 1 1 11 . CG C 1.277 3.311 -5.376 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CG . . . . . . . . . rr_1jdk 1
. 11 . 2162 . 1 1 11 . H H 2.184 0.949 -1.594 . . . 1.0 . . . . . . . . . . . . A . 11 DAB H . . . . . . . . . rr_1jdk 1
. 11 . 2163 . 1 1 11 . HA H 2.805 3.469 -3.134 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HA . . . . . . . . . rr_1jdk 1
. 11 . 2164 . 1 1 11 . HB2 H 2.153 1.469 -4.754 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HB2 . . . . . . . . . rr_1jdk 1
. 11 . 2165 . 1 1 11 . HB3 H 0.531 1.659 -4.148 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HB3 . . . . . . . . . rr_1jdk 1
. 11 . 2166 . 1 1 11 . HD2 H 0.627 4.999 -4.118 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HD2 . . . . . . . . . rr_1jdk 1
. 11 . 2167 . 1 1 11 . HG2 H 2.266 3.723 -5.654 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HG2 . . . . . . . . . rr_1jdk 1
. 11 . 2168 . 1 1 11 . HG3 H 0.905 2.833 -6.303 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HG3 . . . . . . . . . rr_1jdk 1
. 11 . 2169 . 1 1 11 . N N 2.727 1.545 -2.229 . . . 1.0 . . . . . . . . . . . . A . 11 DAB N . . . . . . . . . rr_1jdk 1
. 11 . 2170 . 1 1 11 . ND N 0.414 4.438 -4.951 . . . 1.0 . . . . . . . . . . . . A . 11 DAB ND . . . . . . . . . rr_1jdk 1
. 11 . 2171 . 1 1 11 . O O -0.179 2.863 -1.977 . . . 1.0 . . . . . . . . . . . . A . 11 DAB O . . . . . . . . . rr_1jdk 1
. 11 . 2172 . 1 1 12 THR C C 0.841 6.385 -0.113 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_1jdk 1
. 11 . 2173 . 1 1 12 THR CA C 0.518 4.863 -0.102 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_1jdk 1
. 11 . 2174 . 1 1 12 THR CB C 0.673 4.203 1.305 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_1jdk 1
. 11 . 2175 . 1 1 12 THR CG2 C -0.183 4.830 2.421 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_1jdk 1
. 11 . 2176 . 1 1 12 THR H H 2.431 4.362 -1.090 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_1jdk 1
. 11 . 2177 . 1 1 12 THR HA H -0.536 4.725 -0.419 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_1jdk 1
. 11 . 2178 . 1 1 12 THR HB H 1.734 4.263 1.619 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_1jdk 1
. 11 . 2179 . 1 1 12 THR HG1 H 0.394 2.486 2.133 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG1 . . . . . . . . . rr_1jdk 1
. 11 . 2180 . 1 1 12 THR HG21 H -0.019 4.321 3.388 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_1jdk 1
. 11 . 2181 . 1 1 12 THR HG22 H 0.060 5.897 2.579 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_1jdk 1
. 11 . 2182 . 1 1 12 THR HG23 H -1.262 4.766 2.199 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_1jdk 1
. 11 . 2183 . 1 1 12 THR N N 1.416 4.209 -1.094 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_1jdk 1
. 11 . 2184 . 1 1 12 THR O O 1.876 6.817 0.407 . . . 1.0 . . . . . . . . . . . . A . 12 THR O . . . . . . . . . rr_1jdk 1
. 11 . 2185 . 1 1 12 THR OG1 O 0.307 2.827 1.241 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_1jdk 1
. 11 . 2186 . 1 1 13 THR C C -1.361 9.223 -0.617 . . . 1.0 . . . . . . . . . . . . A . 13 THR C . . . . . . . . . rr_1jdk 1
. 11 . 2187 . 1 1 13 THR CA C 0.078 8.660 -0.805 . . . 1.0 . . . . . . . . . . . . A . 13 THR CA . . . . . . . . . rr_1jdk 1
. 11 . 2188 . 1 1 13 THR CB C 0.756 9.092 -2.145 . . . 1.0 . . . . . . . . . . . . A . 13 THR CB . . . . . . . . . rr_1jdk 1
. 11 . 2189 . 1 1 13 THR CG2 C 0.977 10.609 -2.275 . . . 1.0 . . . . . . . . . . . . A . 13 THR CG2 . . . . . . . . . rr_1jdk 1
. 11 . 2190 . 1 1 13 THR H H -0.869 6.690 -1.111 . . . 1.0 . . . . . . . . . . . . A . 13 THR H . . . . . . . . . rr_1jdk 1
. 11 . 2191 . 1 1 13 THR HA H 0.721 9.029 0.020 . . . 1.0 . . . . . . . . . . . . A . 13 THR HA . . . . . . . . . rr_1jdk 1
. 11 . 2192 . 1 1 13 THR HB H 0.134 8.759 -2.998 . . . 1.0 . . . . . . . . . . . . A . 13 THR HB . . . . . . . . . rr_1jdk 1
. 11 . 2193 . 1 1 13 THR HG1 H 2.423 8.840 -3.076 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG1 . . . . . . . . . rr_1jdk 1
. 11 . 2194 . 1 1 13 THR HG21 H 1.615 11.002 -1.461 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG21 . . . . . . . . . rr_1jdk 1
. 11 . 2195 . 1 1 13 THR HG22 H 1.469 10.866 -3.231 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG22 . . . . . . . . . rr_1jdk 1
. 11 . 2196 . 1 1 13 THR HG23 H 0.023 11.168 -2.245 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG23 . . . . . . . . . rr_1jdk 1
. 11 . 2197 . 1 1 13 THR N N -0.062 7.180 -0.711 . . . 1.0 . . . . . . . . . . . . A . 13 THR N . . . . . . . . . rr_1jdk 1
. 11 . 2198 . 1 1 13 THR O O -2.152 9.264 -1.566 . . . 1.0 . . . . . . . . . . . . A . 13 THR O . . . . . . . . . rr_1jdk 1
. 11 . 2199 . 1 1 13 THR OG1 O 2.037 8.483 -2.272 . . . 1.0 . . . . . . . . . . . . A . 13 THR OG1 . . . . . . . . . rr_1jdk 1
. 11 . 2200 . 1 1 14 ALA C C -3.081 11.729 0.674 . . . 1.0 . . . . . . . . . . . . A . 14 ALA C . . . . . . . . . rr_1jdk 1
. 11 . 2201 . 1 1 14 ALA CA C -3.024 10.209 0.949 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CA . . . . . . . . . rr_1jdk 1
. 11 . 2202 . 1 1 14 ALA CB C -3.336 9.887 2.422 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CB . . . . . . . . . rr_1jdk 1
. 11 . 2203 . 1 1 14 ALA H H -0.947 9.567 1.319 . . . 1.0 . . . . . . . . . . . . A . 14 ALA H . . . . . . . . . rr_1jdk 1
. 11 . 2204 . 1 1 14 ALA HXT H -3.964 12.983 -0.510 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HXT . . . . . . . . . rr_1jdk 1
. 11 . 2205 . 1 1 14 ALA HA H -3.803 9.703 0.342 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HA . . . . . . . . . rr_1jdk 1
. 11 . 2206 . 1 1 14 ALA HB1 H -2.613 10.352 3.119 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB1 . . . . . . . . . rr_1jdk 1
. 11 . 2207 . 1 1 14 ALA HB2 H -4.341 10.247 2.710 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB2 . . . . . . . . . rr_1jdk 1
. 11 . 2208 . 1 1 14 ALA HB3 H -3.324 8.797 2.616 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB3 . . . . . . . . . rr_1jdk 1
. 11 . 2209 . 1 1 14 ALA N N -1.689 9.655 0.617 . . . 1.0 . . . . . . . . . . . . A . 14 ALA N . . . . . . . . . rr_1jdk 1
. 11 . 2210 . 1 1 14 ALA O O -2.425 12.569 1.290 . . . 1.0 . . . . . . . . . . . . A . 14 ALA O . . . . . . . . . rr_1jdk 1
. 11 . 2211 . 1 1 14 ALA OXT O -3.944 12.037 -0.345 . . . 1.0 . . . . . . . . . . . . A . 14 ALA OXT . . . . . . . . . rr_1jdk 1
. 12 . 2212 . 1 1 1 ACE C C 2.281 13.753 1.808 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . rr_1jdk 1
. 12 . 2213 . 1 1 1 ACE CH3 C 3.714 14.075 1.394 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . rr_1jdk 1
. 12 . 2214 . 1 1 1 ACE H1 H 4.408 13.963 2.246 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . rr_1jdk 1
. 12 . 2215 . 1 1 1 ACE H2 H 4.064 13.398 0.594 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . rr_1jdk 1
. 12 . 2216 . 1 1 1 ACE H3 H 3.808 15.115 1.029 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . rr_1jdk 1
. 12 . 2217 . 1 1 1 ACE O O 2.030 13.382 2.956 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . rr_1jdk 1
. 12 . 2218 . 1 1 2 ILE C C -0.667 13.122 -0.281 . . . 1.0 . . . . . . . . . . . . A . 2 ILE C . . . . . . . . . rr_1jdk 1
. 12 . 2219 . 1 1 2 ILE CA C -0.097 13.644 1.072 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CA . . . . . . . . . rr_1jdk 1
. 12 . 2220 . 1 1 2 ILE CB C -0.851 14.848 1.761 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CB . . . . . . . . . rr_1jdk 1
. 12 . 2221 . 1 1 2 ILE CD1 C -3.434 14.481 1.271 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CD1 . . . . . . . . . rr_1jdk 1
. 12 . 2222 . 1 1 2 ILE CG1 C -2.275 14.498 2.287 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG1 . . . . . . . . . rr_1jdk 1
. 12 . 2223 . 1 1 2 ILE CG2 C -0.838 16.222 1.035 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG2 . . . . . . . . . rr_1jdk 1
. 12 . 2224 . 1 1 2 ILE H H 1.741 14.166 -0.066 . . . 1.0 . . . . . . . . . . . . A . 2 ILE H . . . . . . . . . rr_1jdk 1
. 12 . 2225 . 1 1 2 ILE HA H -0.174 12.806 1.796 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HA . . . . . . . . . rr_1jdk 1
. 12 . 2226 . 1 1 2 ILE HB H -0.275 15.031 2.689 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HB . . . . . . . . . rr_1jdk 1
. 12 . 2227 . 1 1 2 ILE HD11 H -4.392 14.249 1.769 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD11 . . . . . . . . . rr_1jdk 1
. 12 . 2228 . 1 1 2 ILE HD12 H -3.561 15.463 0.778 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD12 . . . . . . . . . rr_1jdk 1
. 12 . 2229 . 1 1 2 ILE HD13 H -3.285 13.728 0.479 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD13 . . . . . . . . . rr_1jdk 1
. 12 . 2230 . 1 1 2 ILE HG12 H -2.247 13.525 2.813 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG12 . . . . . . . . . rr_1jdk 1
. 12 . 2231 . 1 1 2 ILE HG13 H -2.542 15.225 3.079 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG13 . . . . . . . . . rr_1jdk 1
. 12 . 2232 . 1 1 2 ILE HG21 H 0.186 16.571 0.816 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG21 . . . . . . . . . rr_1jdk 1
. 12 . 2233 . 1 1 2 ILE HG22 H -1.391 16.202 0.077 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG22 . . . . . . . . . rr_1jdk 1
. 12 . 2234 . 1 1 2 ILE HG23 H -1.312 17.010 1.651 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG23 . . . . . . . . . rr_1jdk 1
. 12 . 2235 . 1 1 2 ILE N N 1.356 13.915 0.853 . . . 1.0 . . . . . . . . . . . . A . 2 ILE N . . . . . . . . . rr_1jdk 1
. 12 . 2236 . 1 1 2 ILE O O -0.987 13.918 -1.170 . . . 1.0 . . . . . . . . . . . . A . 2 ILE O . . . . . . . . . rr_1jdk 1
. 12 . 2237 . 1 1 3 TRP C C -1.852 9.761 -1.316 . . . 1.0 . . . . . . . . . . . . A . 3 TRP C . . . . . . . . . rr_1jdk 1
. 12 . 2238 . 1 1 3 TRP CA C -1.296 11.165 -1.698 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CA . . . . . . . . . rr_1jdk 1
. 12 . 2239 . 1 1 3 TRP CB C -0.176 11.113 -2.780 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CB . . . . . . . . . rr_1jdk 1
. 12 . 2240 . 1 1 3 TRP CD1 C -1.006 12.341 -4.932 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD1 . . . . . . . . . rr_1jdk 1
. 12 . 2241 . 1 1 3 TRP CD2 C -0.628 10.163 -5.190 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD2 . . . . . . . . . rr_1jdk 1
. 12 . 2242 . 1 1 3 TRP CE2 C -0.964 10.742 -6.442 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE2 . . . . . . . . . rr_1jdk 1
. 12 . 2243 . 1 1 3 TRP CE3 C -0.250 8.803 -5.111 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE3 . . . . . . . . . rr_1jdk 1
. 12 . 2244 . 1 1 3 TRP CG C -0.650 11.163 -4.235 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CG . . . . . . . . . rr_1jdk 1
. 12 . 2245 . 1 1 3 TRP CH2 C -0.526 8.623 -7.523 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CH2 . . . . . . . . . rr_1jdk 1
. 12 . 2246 . 1 1 3 TRP CZ2 C -0.909 9.962 -7.622 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ2 . . . . . . . . . rr_1jdk 1
. 12 . 2247 . 1 1 3 TRP CZ3 C -0.196 8.054 -6.288 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ3 . . . . . . . . . rr_1jdk 1
. 12 . 2248 . 1 1 3 TRP H H -0.449 11.191 0.332 . . . 1.0 . . . . . . . . . . . . A . 3 TRP H . . . . . . . . . rr_1jdk 1
. 12 . 2249 . 1 1 3 TRP HA H -2.117 11.807 -2.077 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HA . . . . . . . . . rr_1jdk 1
. 12 . 2250 . 1 1 3 TRP HB2 H 0.501 11.978 -2.657 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB2 . . . . . . . . . rr_1jdk 1
. 12 . 2251 . 1 1 3 TRP HB3 H 0.483 10.240 -2.619 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB3 . . . . . . . . . rr_1jdk 1
. 12 . 2252 . 1 1 3 TRP HD1 H -1.030 13.328 -4.491 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HD1 . . . . . . . . . rr_1jdk 1
. 12 . 2253 . 1 1 3 TRP HE1 H -1.427 12.777 -7.039 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE1 . . . . . . . . . rr_1jdk 1
. 12 . 2254 . 1 1 3 TRP HE3 H 0.017 8.362 -4.163 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE3 . . . . . . . . . rr_1jdk 1
. 12 . 2255 . 1 1 3 TRP HH2 H -0.469 8.019 -8.417 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HH2 . . . . . . . . . rr_1jdk 1
. 12 . 2256 . 1 1 3 TRP HZ2 H -1.138 10.397 -8.584 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ2 . . . . . . . . . rr_1jdk 1
. 12 . 2257 . 1 1 3 TRP HZ3 H 0.113 7.020 -6.247 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ3 . . . . . . . . . rr_1jdk 1
. 12 . 2258 . 1 1 3 TRP N N -0.773 11.781 -0.447 . . . 1.0 . . . . . . . . . . . . A . 3 TRP N . . . . . . . . . rr_1jdk 1
. 12 . 2259 . 1 1 3 TRP NE1 N -1.223 12.095 -6.299 . . . 1.0 . . . . . . . . . . . . A . 3 TRP NE1 . . . . . . . . . rr_1jdk 1
. 12 . 2260 . 1 1 3 TRP O O -1.095 8.882 -0.887 . . . 1.0 . . . . . . . . . . . . A . 3 TRP O . . . . . . . . . rr_1jdk 1
. 12 . 2261 . 1 1 4 GLY C C -3.927 7.260 -2.272 . . . 1.0 . . . . . . . . . . . . A . 4 GLY C . . . . . . . . . rr_1jdk 1
. 12 . 2262 . 1 1 4 GLY CA C -3.819 8.257 -1.104 . . . 1.0 . . . . . . . . . . . . A . 4 GLY CA . . . . . . . . . rr_1jdk 1
. 12 . 2263 . 1 1 4 GLY H H -3.686 10.339 -1.881 . . . 1.0 . . . . . . . . . . . . A . 4 GLY H . . . . . . . . . rr_1jdk 1
. 12 . 2264 . 1 1 4 GLY HA2 H -3.329 7.784 -0.227 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA2 . . . . . . . . . rr_1jdk 1
. 12 . 2265 . 1 1 4 GLY HA3 H -4.844 8.459 -0.739 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA3 . . . . . . . . . rr_1jdk 1
. 12 . 2266 . 1 1 4 GLY N N -3.174 9.551 -1.462 . . . 1.0 . . . . . . . . . . . . A . 4 GLY N . . . . . . . . . rr_1jdk 1
. 12 . 2267 . 1 1 4 GLY O O -4.832 7.379 -3.102 . . . 1.0 . . . . . . . . . . . . A . 4 GLY O . . . . . . . . . rr_1jdk 1
. 12 . 2268 . 1 1 5 GLU C C -2.247 3.984 -2.806 . . . 1.0 . . . . . . . . . . . . A . 5 GLU C . . . . . . . . . rr_1jdk 1
. 12 . 2269 . 1 1 5 GLU CA C -2.987 5.234 -3.378 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CA . . . . . . . . . rr_1jdk 1
. 12 . 2270 . 1 1 5 GLU CB C -2.312 5.780 -4.677 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CB . . . . . . . . . rr_1jdk 1
. 12 . 2271 . 1 1 5 GLU CD C -2.178 3.590 -6.117 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CD . . . . . . . . . rr_1jdk 1
. 12 . 2272 . 1 1 5 GLU CG C -2.623 5.060 -6.016 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CG . . . . . . . . . rr_1jdk 1
. 12 . 2273 . 1 1 5 GLU H H -2.295 6.320 -1.580 . . . 1.0 . . . . . . . . . . . . A . 5 GLU H . . . . . . . . . rr_1jdk 1
. 12 . 2274 . 1 1 5 GLU HA H -4.034 4.968 -3.630 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HA . . . . . . . . . rr_1jdk 1
. 12 . 2275 . 1 1 5 GLU HB2 H -2.621 6.832 -4.829 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB2 . . . . . . . . . rr_1jdk 1
. 12 . 2276 . 1 1 5 GLU HB3 H -1.217 5.840 -4.534 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB3 . . . . . . . . . rr_1jdk 1
. 12 . 2277 . 1 1 5 GLU HG2 H -3.708 5.121 -6.222 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG2 . . . . . . . . . rr_1jdk 1
. 12 . 2278 . 1 1 5 GLU HG3 H -2.166 5.638 -6.847 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG3 . . . . . . . . . rr_1jdk 1
. 12 . 2279 . 1 1 5 GLU N N -3.007 6.278 -2.317 . . . 1.0 . . . . . . . . . . . . A . 5 GLU N . . . . . . . . . rr_1jdk 1
. 12 . 2280 . 1 1 5 GLU O O -1.051 4.058 -2.505 . . . 1.0 . . . . . . . . . . . . A . 5 GLU O . . . . . . . . . rr_1jdk 1
. 12 . 2281 . 1 1 5 GLU OE1 O -3.001 2.686 -5.953 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE1 . . . . . . . . . rr_1jdk 1
. 12 . 2282 . 1 1 6 SER C C -2.770 0.368 -3.081 . . . 1.0 . . . . . . . . . . . . A . 6 SER C . . . . . . . . . rr_1jdk 1
. 12 . 2283 . 1 1 6 SER CA C -2.371 1.567 -2.145 . . . 1.0 . . . . . . . . . . . . A . 6 SER CA . . . . . . . . . rr_1jdk 1
. 12 . 2284 . 1 1 6 SER CB C -2.740 1.321 -0.657 . . . 1.0 . . . . . . . . . . . . A . 6 SER CB . . . . . . . . . rr_1jdk 1
. 12 . 2285 . 1 1 6 SER H H -3.921 2.886 -3.017 . . . 1.0 . . . . . . . . . . . . A . 6 SER H . . . . . . . . . rr_1jdk 1
. 12 . 2286 . 1 1 6 SER HA H -1.266 1.672 -2.173 . . . 1.0 . . . . . . . . . . . . A . 6 SER HA . . . . . . . . . rr_1jdk 1
. 12 . 2287 . 1 1 6 SER HB2 H -2.239 0.408 -0.275 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB2 . . . . . . . . . rr_1jdk 1
. 12 . 2288 . 1 1 6 SER HB3 H -2.354 2.135 -0.013 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB3 . . . . . . . . . rr_1jdk 1
. 12 . 2289 . 1 1 6 SER HG H -4.537 2.005 -0.793 . . . 1.0 . . . . . . . . . . . . A . 6 SER HG . . . . . . . . . rr_1jdk 1
. 12 . 2290 . 1 1 6 SER N N -2.961 2.849 -2.650 . . . 1.0 . . . . . . . . . . . . A . 6 SER N . . . . . . . . . rr_1jdk 1
. 12 . 2291 . 1 1 6 SER O O -3.728 0.474 -3.858 . . . 1.0 . . . . . . . . . . . . A . 6 SER O . . . . . . . . . rr_1jdk 1
. 12 . 2292 . 1 1 6 SER OG O -4.146 1.191 -0.468 . . . 1.0 . . . . . . . . . . . . A . 6 SER OG . . . . . . . . . rr_1jdk 1
. 12 . 2293 . 1 1 7 GLY C C -1.445 -3.133 -3.677 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . rr_1jdk 1
. 12 . 2294 . 1 1 7 GLY CA C -2.388 -1.939 -3.893 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . rr_1jdk 1
. 12 . 2295 . 1 1 7 GLY H H -1.436 -0.923 -2.219 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . rr_1jdk 1
. 12 . 2296 . 1 1 7 GLY HA2 H -3.424 -2.271 -3.687 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . rr_1jdk 1
. 12 . 2297 . 1 1 7 GLY HA3 H -2.391 -1.629 -4.957 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . rr_1jdk 1
. 12 . 2298 . 1 1 7 GLY N N -2.058 -0.784 -3.025 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . rr_1jdk 1
. 12 . 2299 . 1 1 7 GLY O O -1.695 -3.963 -2.800 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . rr_1jdk 1
. 12 . 2300 . 1 1 8 LYS C C 1.534 -4.258 -3.121 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . rr_1jdk 1
. 12 . 2301 . 1 1 8 LYS CA C 0.635 -4.317 -4.399 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . rr_1jdk 1
. 12 . 2302 . 1 1 8 LYS CB C 1.389 -4.497 -5.752 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . rr_1jdk 1
. 12 . 2303 . 1 1 8 LYS CD C 2.867 -3.601 -7.665 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . rr_1jdk 1
. 12 . 2304 . 1 1 8 LYS CE C 3.648 -2.394 -8.213 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . rr_1jdk 1
. 12 . 2305 . 1 1 8 LYS CG C 2.163 -3.285 -6.332 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . rr_1jdk 1
. 12 . 2306 . 1 1 8 LYS H H -0.290 -2.459 -5.173 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . rr_1jdk 1
. 12 . 2307 . 1 1 8 LYS HA H 0.059 -5.259 -4.296 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . rr_1jdk 1
. 12 . 2308 . 1 1 8 LYS HB2 H 2.085 -5.351 -5.652 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . rr_1jdk 1
. 12 . 2309 . 1 1 8 LYS HB3 H 0.655 -4.831 -6.511 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . rr_1jdk 1
. 12 . 2310 . 1 1 8 LYS HD2 H 3.555 -4.458 -7.523 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . rr_1jdk 1
. 12 . 2311 . 1 1 8 LYS HD3 H 2.117 -3.935 -8.409 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . rr_1jdk 1
. 12 . 2312 . 1 1 8 LYS HE2 H 2.972 -1.534 -8.373 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . rr_1jdk 1
. 12 . 2313 . 1 1 8 LYS HE3 H 4.407 -2.060 -7.481 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . rr_1jdk 1
. 12 . 2314 . 1 1 8 LYS HG2 H 1.472 -2.434 -6.476 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . rr_1jdk 1
. 12 . 2315 . 1 1 8 LYS HG3 H 2.918 -2.936 -5.607 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . rr_1jdk 1
. 12 . 2316 . 1 1 8 LYS HZ1 H 3.624 -2.989 -10.194 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . rr_1jdk 1
. 12 . 2317 . 1 1 8 LYS HZ2 H 4.803 -1.906 -9.860 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . rr_1jdk 1
. 12 . 2318 . 1 1 8 LYS N N -0.369 -3.214 -4.482 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . rr_1jdk 1
. 12 . 2319 . 1 1 8 LYS NZ N 4.318 -2.728 -9.483 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . rr_1jdk 1
. 12 . 2320 . 1 1 8 LYS O O 1.422 -5.142 -2.267 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . rr_1jdk 1
. 12 . 2321 . 1 1 9 LEU C C 3.571 -1.543 -1.578 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . rr_1jdk 1
. 12 . 2322 . 1 1 9 LEU CA C 3.296 -3.058 -1.809 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . rr_1jdk 1
. 12 . 2323 . 1 1 9 LEU CB C 4.517 -4.032 -1.723 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . rr_1jdk 1
. 12 . 2324 . 1 1 9 LEU CD1 C 6.814 -4.961 -2.268 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . rr_1jdk 1
. 12 . 2325 . 1 1 9 LEU CD2 C 5.550 -3.787 -4.096 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . rr_1jdk 1
. 12 . 2326 . 1 1 9 LEU CG C 5.804 -3.838 -2.577 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . rr_1jdk 1
. 12 . 2327 . 1 1 9 LEU H H 2.385 -2.567 -3.763 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . rr_1jdk 1
. 12 . 2328 . 1 1 9 LEU HA H 2.680 -3.344 -0.931 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . rr_1jdk 1
. 12 . 2329 . 1 1 9 LEU HB2 H 4.833 -4.038 -0.662 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . rr_1jdk 1
. 12 . 2330 . 1 1 9 LEU HB3 H 4.139 -5.060 -1.885 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . rr_1jdk 1
. 12 . 2331 . 1 1 9 LEU HD11 H 7.766 -4.816 -2.812 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . rr_1jdk 1
. 12 . 2332 . 1 1 9 LEU HD12 H 7.069 -4.997 -1.192 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . rr_1jdk 1
. 12 . 2333 . 1 1 9 LEU HD13 H 6.427 -5.960 -2.546 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . rr_1jdk 1
. 12 . 2334 . 1 1 9 LEU HD21 H 5.030 -4.693 -4.462 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . rr_1jdk 1
. 12 . 2335 . 1 1 9 LEU HD22 H 4.932 -2.919 -4.380 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . rr_1jdk 1
. 12 . 2336 . 1 1 9 LEU HD23 H 6.492 -3.696 -4.669 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . rr_1jdk 1
. 12 . 2337 . 1 1 9 LEU HG H 6.297 -2.897 -2.265 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . rr_1jdk 1
. 12 . 2338 . 1 1 9 LEU N N 2.406 -3.241 -2.992 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . rr_1jdk 1
. 12 . 2339 . 1 1 9 LEU O O 3.223 -1.038 -0.508 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . rr_1jdk 1
. 12 . 2340 . 1 1 10 ILE C C 3.870 1.318 -3.713 . . . 1.0 . . . . . . . . . . . . A . 10 ILE C . . . . . . . . . rr_1jdk 1
. 12 . 2341 . 1 1 10 ILE CA C 4.444 0.646 -2.429 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CA . . . . . . . . . rr_1jdk 1
. 12 . 2342 . 1 1 10 ILE CB C 5.966 0.934 -2.122 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CB . . . . . . . . . rr_1jdk 1
. 12 . 2343 . 1 1 10 ILE CD1 C 5.783 1.087 0.510 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CD1 . . . . . . . . . rr_1jdk 1
. 12 . 2344 . 1 1 10 ILE CG1 C 6.433 0.424 -0.722 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CG1 . . . . . . . . . rr_1jdk 1
. 12 . 2345 . 1 1 10 ILE CG2 C 6.408 2.414 -2.292 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CG2 . . . . . . . . . rr_1jdk 1
. 12 . 2346 . 1 1 10 ILE H H 4.412 -1.350 -3.399 . . . 1.0 . . . . . . . . . . . . A . 10 ILE H . . . . . . . . . rr_1jdk 1
. 12 . 2347 . 1 1 10 ILE HA H 3.875 1.072 -1.578 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HA . . . . . . . . . rr_1jdk 1
. 12 . 2348 . 1 1 10 ILE HB H 6.556 0.368 -2.869 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HB . . . . . . . . . rr_1jdk 1
. 12 . 2349 . 1 1 10 ILE HD11 H 5.966 2.177 0.538 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD11 . . . . . . . . . rr_1jdk 1
. 12 . 2350 . 1 1 10 ILE HD12 H 4.689 0.940 0.534 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD12 . . . . . . . . . rr_1jdk 1
. 12 . 2351 . 1 1 10 ILE HD13 H 6.185 0.666 1.448 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD13 . . . . . . . . . rr_1jdk 1
. 12 . 2352 . 1 1 10 ILE HG12 H 6.272 -0.668 -0.656 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG12 . . . . . . . . . rr_1jdk 1
. 12 . 2353 . 1 1 10 ILE HG13 H 7.531 0.538 -0.641 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG13 . . . . . . . . . rr_1jdk 1
. 12 . 2354 . 1 1 10 ILE HG21 H 6.298 2.767 -3.333 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG21 . . . . . . . . . rr_1jdk 1
. 12 . 2355 . 1 1 10 ILE HG22 H 5.825 3.103 -1.654 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG22 . . . . . . . . . rr_1jdk 1
. 12 . 2356 . 1 1 10 ILE HG23 H 7.476 2.559 -2.037 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG23 . . . . . . . . . rr_1jdk 1
. 12 . 2357 . 1 1 10 ILE N N 4.168 -0.818 -2.553 . . . 1.0 . . . . . . . . . . . . A . 10 ILE N . . . . . . . . . rr_1jdk 1
. 12 . 2358 . 1 1 10 ILE O O 4.572 1.443 -4.723 . . . 1.0 . . . . . . . . . . . . A . 10 ILE O . . . . . . . . . rr_1jdk 1
. 12 . 2359 . 1 1 11 . C C 1.881 4.000 -4.682 . . . 1.0 . . . . . . . . . . . . A . 11 DAB C . . . . . . . . . rr_1jdk 1
. 12 . 2360 . 1 1 11 . CA C 1.917 2.432 -4.806 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CA . . . . . . . . . rr_1jdk 1
. 12 . 2361 . 1 1 11 . CB C 0.509 1.783 -4.978 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CB . . . . . . . . . rr_1jdk 1
. 12 . 2362 . 1 1 11 . CG C -0.251 2.040 -6.303 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CG . . . . . . . . . rr_1jdk 1
. 12 . 2363 . 1 1 11 . H H 2.029 1.390 -2.874 . . . 1.0 . . . . . . . . . . . . A . 11 DAB H . . . . . . . . . rr_1jdk 1
. 12 . 2364 . 1 1 11 . HA H 2.471 2.214 -5.741 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HA . . . . . . . . . rr_1jdk 1
. 12 . 2365 . 1 1 11 . HB2 H 0.616 0.681 -4.910 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HB2 . . . . . . . . . rr_1jdk 1
. 12 . 2366 . 1 1 11 . HB3 H -0.137 2.045 -4.121 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HB3 . . . . . . . . . rr_1jdk 1
. 12 . 2367 . 1 1 11 . HD2 H -0.320 4.232 -6.474 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HD2 . . . . . . . . . rr_1jdk 1
. 12 . 2368 . 1 1 11 . HG2 H 0.438 1.926 -7.160 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HG2 . . . . . . . . . rr_1jdk 1
. 12 . 2369 . 1 1 11 . HG3 H -1.007 1.242 -6.448 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HG3 . . . . . . . . . rr_1jdk 1
. 12 . 2370 . 1 1 11 . N N 2.588 1.740 -3.665 . . . 1.0 . . . . . . . . . . . . A . 11 DAB N . . . . . . . . . rr_1jdk 1
. 12 . 2371 . 1 1 11 . ND N -0.879 3.378 -6.363 . . . 1.0 . . . . . . . . . . . . A . 11 DAB ND . . . . . . . . . rr_1jdk 1
. 12 . 2372 . 1 1 11 . O O 1.737 4.659 -5.717 . . . 1.0 . . . . . . . . . . . . A . 11 DAB O . . . . . . . . . rr_1jdk 1
. 12 . 2373 . 1 1 12 THR C C 3.229 6.849 -3.847 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_1jdk 1
. 12 . 2374 . 1 1 12 THR CA C 1.969 6.097 -3.317 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_1jdk 1
. 12 . 2375 . 1 1 12 THR CB C 1.595 6.467 -1.849 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_1jdk 1
. 12 . 2376 . 1 1 12 THR CG2 C 2.611 6.097 -0.751 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_1jdk 1
. 12 . 2377 . 1 1 12 THR H H 2.323 4.028 -2.701 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_1jdk 1
. 12 . 2378 . 1 1 12 THR HA H 1.089 6.421 -3.907 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_1jdk 1
. 12 . 2379 . 1 1 12 THR HB H 0.639 5.966 -1.600 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_1jdk 1
. 12 . 2380 . 1 1 12 THR HG1 H 0.901 8.018 -0.937 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG1 . . . . . . . . . rr_1jdk 1
. 12 . 2381 . 1 1 12 THR HG21 H 2.814 5.010 -0.727 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_1jdk 1
. 12 . 2382 . 1 1 12 THR HG22 H 3.578 6.611 -0.895 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_1jdk 1
. 12 . 2383 . 1 1 12 THR HG23 H 2.239 6.377 0.253 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_1jdk 1
. 12 . 2384 . 1 1 12 THR N N 2.026 4.621 -3.484 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_1jdk 1
. 12 . 2385 . 1 1 12 THR O O 4.372 6.495 -3.540 . . . 1.0 . . . . . . . . . . . . A . 12 THR O . . . . . . . . . rr_1jdk 1
. 12 . 2386 . 1 1 12 THR OG1 O 1.362 7.868 -1.768 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_1jdk 1
. 12 . 2387 . 1 1 13 THR C C 3.437 10.208 -5.176 . . . 1.0 . . . . . . . . . . . . A . 13 THR C . . . . . . . . . rr_1jdk 1
. 12 . 2388 . 1 1 13 THR CA C 4.020 8.764 -5.246 . . . 1.0 . . . . . . . . . . . . A . 13 THR CA . . . . . . . . . rr_1jdk 1
. 12 . 2389 . 1 1 13 THR CB C 4.386 8.297 -6.690 . . . 1.0 . . . . . . . . . . . . A . 13 THR CB . . . . . . . . . rr_1jdk 1
. 12 . 2390 . 1 1 13 THR CG2 C 5.513 9.116 -7.343 . . . 1.0 . . . . . . . . . . . . A . 13 THR CG2 . . . . . . . . . rr_1jdk 1
. 12 . 2391 . 1 1 13 THR H H 1.978 8.066 -4.824 . . . 1.0 . . . . . . . . . . . . A . 13 THR H . . . . . . . . . rr_1jdk 1
. 12 . 2392 . 1 1 13 THR HA H 4.946 8.715 -4.634 . . . 1.0 . . . . . . . . . . . . A . 13 THR HA . . . . . . . . . rr_1jdk 1
. 12 . 2393 . 1 1 13 THR HB H 3.489 8.363 -7.335 . . . 1.0 . . . . . . . . . . . . A . 13 THR HB . . . . . . . . . rr_1jdk 1
. 12 . 2394 . 1 1 13 THR HG1 H 5.537 6.891 -6.046 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG1 . . . . . . . . . rr_1jdk 1
. 12 . 2395 . 1 1 13 THR HG21 H 5.749 8.738 -8.354 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG21 . . . . . . . . . rr_1jdk 1
. 12 . 2396 . 1 1 13 THR HG22 H 5.234 10.181 -7.455 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG22 . . . . . . . . . rr_1jdk 1
. 12 . 2397 . 1 1 13 THR HG23 H 6.447 9.078 -6.751 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG23 . . . . . . . . . rr_1jdk 1
. 12 . 2398 . 1 1 13 THR N N 2.974 7.898 -4.646 . . . 1.0 . . . . . . . . . . . . A . 13 THR N . . . . . . . . . rr_1jdk 1
. 12 . 2399 . 1 1 13 THR O O 2.626 10.603 -6.021 . . . 1.0 . . . . . . . . . . . . A . 13 THR O . . . . . . . . . rr_1jdk 1
. 12 . 2400 . 1 1 13 THR OG1 O 4.818 6.939 -6.680 . . . 1.0 . . . . . . . . . . . . A . 13 THR OG1 . . . . . . . . . rr_1jdk 1
. 12 . 2401 . 1 1 14 ALA C C 4.178 13.401 -4.800 . . . 1.0 . . . . . . . . . . . . A . 14 ALA C . . . . . . . . . rr_1jdk 1
. 12 . 2402 . 1 1 14 ALA CA C 3.382 12.379 -3.957 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CA . . . . . . . . . rr_1jdk 1
. 12 . 2403 . 1 1 14 ALA CB C 3.422 12.706 -2.452 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CB . . . . . . . . . rr_1jdk 1
. 12 . 2404 . 1 1 14 ALA H H 4.519 10.540 -3.516 . . . 1.0 . . . . . . . . . . . . A . 14 ALA H . . . . . . . . . rr_1jdk 1
. 12 . 2405 . 1 1 14 ALA HXT H 5.979 14.077 -5.032 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HXT . . . . . . . . . rr_1jdk 1
. 12 . 2406 . 1 1 14 ALA HA H 2.320 12.452 -4.267 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HA . . . . . . . . . rr_1jdk 1
. 12 . 2407 . 1 1 14 ALA HB1 H 4.449 12.677 -2.041 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB1 . . . . . . . . . rr_1jdk 1
. 12 . 2408 . 1 1 14 ALA HB2 H 3.019 13.716 -2.248 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB2 . . . . . . . . . rr_1jdk 1
. 12 . 2409 . 1 1 14 ALA HB3 H 2.813 11.999 -1.859 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB3 . . . . . . . . . rr_1jdk 1
. 12 . 2410 . 1 1 14 ALA N N 3.856 10.986 -4.158 . . . 1.0 . . . . . . . . . . . . A . 14 ALA N . . . . . . . . . rr_1jdk 1
. 12 . 2411 . 1 1 14 ALA O O 3.656 14.109 -5.660 . . . 1.0 . . . . . . . . . . . . A . 14 ALA O . . . . . . . . . rr_1jdk 1
. 12 . 2412 . 1 1 14 ALA OXT O 5.515 13.435 -4.490 . . . 1.0 . . . . . . . . . . . . A . 14 ALA OXT . . . . . . . . . rr_1jdk 1
. 13 . 2413 . 1 1 1 ACE C C 2.363 13.854 0.792 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . rr_1jdk 1
. 13 . 2414 . 1 1 1 ACE CH3 C 3.820 14.100 0.418 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . rr_1jdk 1
. 13 . 2415 . 1 1 1 ACE H1 H 4.460 14.145 1.319 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . rr_1jdk 1
. 13 . 2416 . 1 1 1 ACE H2 H 4.216 13.293 -0.226 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . rr_1jdk 1
. 13 . 2417 . 1 1 1 ACE H3 H 3.945 15.059 -0.121 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . rr_1jdk 1
. 13 . 2418 . 1 1 1 ACE O O 2.028 13.740 1.973 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . rr_1jdk 1
. 13 . 2419 . 1 1 2 ILE C C -0.434 12.714 -1.307 . . . 1.0 . . . . . . . . . . . . A . 2 ILE C . . . . . . . . . rr_1jdk 1
. 13 . 2420 . 1 1 2 ILE CA C 0.048 13.548 -0.075 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CA . . . . . . . . . rr_1jdk 1
. 13 . 2421 . 1 1 2 ILE CB C -0.734 14.886 0.237 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CB . . . . . . . . . rr_1jdk 1
. 13 . 2422 . 1 1 2 ILE CD1 C -1.979 14.296 2.433 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CD1 . . . . . . . . . rr_1jdk 1
. 13 . 2423 . 1 1 2 ILE CG1 C -2.101 14.646 0.941 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG1 . . . . . . . . . rr_1jdk 1
. 13 . 2424 . 1 1 2 ILE CG2 C -0.926 15.870 -0.946 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG2 . . . . . . . . . rr_1jdk 1
. 13 . 2425 . 1 1 2 ILE H H 1.957 13.852 -1.158 . . . 1.0 . . . . . . . . . . . . A . 2 ILE H . . . . . . . . . rr_1jdk 1
. 13 . 2426 . 1 1 2 ILE HA H -0.076 12.902 0.819 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HA . . . . . . . . . rr_1jdk 1
. 13 . 2427 . 1 1 2 ILE HB H -0.120 15.454 0.964 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HB . . . . . . . . . rr_1jdk 1
. 13 . 2428 . 1 1 2 ILE HD11 H -1.454 15.094 2.992 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD11 . . . . . . . . . rr_1jdk 1
. 13 . 2429 . 1 1 2 ILE HD12 H -2.975 14.179 2.897 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD12 . . . . . . . . . rr_1jdk 1
. 13 . 2430 . 1 1 2 ILE HD13 H -1.423 13.357 2.601 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD13 . . . . . . . . . rr_1jdk 1
. 13 . 2431 . 1 1 2 ILE HG12 H -2.733 15.553 0.878 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG12 . . . . . . . . . rr_1jdk 1
. 13 . 2432 . 1 1 2 ILE HG13 H -2.675 13.862 0.411 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG13 . . . . . . . . . rr_1jdk 1
. 13 . 2433 . 1 1 2 ILE HG21 H 0.022 16.071 -1.476 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG21 . . . . . . . . . rr_1jdk 1
. 13 . 2434 . 1 1 2 ILE HG22 H -1.651 15.495 -1.693 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG22 . . . . . . . . . rr_1jdk 1
. 13 . 2435 . 1 1 2 ILE HG23 H -1.311 16.849 -0.602 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG23 . . . . . . . . . rr_1jdk 1
. 13 . 2436 . 1 1 2 ILE N N 1.510 13.787 -0.240 . . . 1.0 . . . . . . . . . . . . A . 2 ILE N . . . . . . . . . rr_1jdk 1
. 13 . 2437 . 1 1 2 ILE O O -0.621 13.261 -2.399 . . . 1.0 . . . . . . . . . . . . A . 2 ILE O . . . . . . . . . rr_1jdk 1
. 13 . 2438 . 1 1 3 TRP C C -1.702 9.225 -1.631 . . . 1.0 . . . . . . . . . . . . A . 3 TRP C . . . . . . . . . rr_1jdk 1
. 13 . 2439 . 1 1 3 TRP CA C -1.043 10.489 -2.254 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CA . . . . . . . . . rr_1jdk 1
. 13 . 2440 . 1 1 3 TRP CB C 0.151 10.133 -3.184 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CB . . . . . . . . . rr_1jdk 1
. 13 . 2441 . 1 1 3 TRP CD1 C -0.166 8.121 -4.834 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD1 . . . . . . . . . rr_1jdk 1
. 13 . 2442 . 1 1 3 TRP CD2 C -0.570 10.127 -5.704 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD2 . . . . . . . . . rr_1jdk 1
. 13 . 2443 . 1 1 3 TRP CE2 C -0.712 9.135 -6.708 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE2 . . . . . . . . . rr_1jdk 1
. 13 . 2444 . 1 1 3 TRP CE3 C -0.727 11.501 -6.025 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE3 . . . . . . . . . rr_1jdk 1
. 13 . 2445 . 1 1 3 TRP CG C -0.219 9.495 -4.525 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CG . . . . . . . . . rr_1jdk 1
. 13 . 2446 . 1 1 3 TRP CH2 C -1.160 10.866 -8.336 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CH2 . . . . . . . . . rr_1jdk 1
. 13 . 2447 . 1 1 3 TRP CZ2 C -1.006 9.510 -8.040 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ2 . . . . . . . . . rr_1jdk 1
. 13 . 2448 . 1 1 3 TRP CZ3 C -1.022 11.846 -7.345 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ3 . . . . . . . . . rr_1jdk 1
. 13 . 2449 . 1 1 3 TRP H H -0.342 10.997 -0.232 . . . 1.0 . . . . . . . . . . . . A . 3 TRP H . . . . . . . . . rr_1jdk 1
. 13 . 2450 . 1 1 3 TRP HA H -1.782 11.041 -2.870 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HA . . . . . . . . . rr_1jdk 1
. 13 . 2451 . 1 1 3 TRP HB2 H 0.719 11.052 -3.412 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB2 . . . . . . . . . rr_1jdk 1
. 13 . 2452 . 1 1 3 TRP HB3 H 0.871 9.488 -2.650 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB3 . . . . . . . . . rr_1jdk 1
. 13 . 2453 . 1 1 3 TRP HD1 H 0.096 7.346 -4.129 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HD1 . . . . . . . . . rr_1jdk 1
. 13 . 2454 . 1 1 3 TRP HE1 H -0.475 6.978 -6.682 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE1 . . . . . . . . . rr_1jdk 1
. 13 . 2455 . 1 1 3 TRP HE3 H -0.605 12.268 -5.273 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE3 . . . . . . . . . rr_1jdk 1
. 13 . 2456 . 1 1 3 TRP HH2 H -1.382 11.165 -9.350 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HH2 . . . . . . . . . rr_1jdk 1
. 13 . 2457 . 1 1 3 TRP HZ2 H -1.101 8.765 -8.816 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ2 . . . . . . . . . rr_1jdk 1
. 13 . 2458 . 1 1 3 TRP HZ3 H -1.138 12.887 -7.606 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ3 . . . . . . . . . rr_1jdk 1
. 13 . 2459 . 1 1 3 TRP N N -0.593 11.380 -1.150 . . . 1.0 . . . . . . . . . . . . A . 3 TRP N . . . . . . . . . rr_1jdk 1
. 13 . 2460 . 1 1 3 TRP NE1 N -0.464 7.876 -6.186 . . . 1.0 . . . . . . . . . . . . A . 3 TRP NE1 . . . . . . . . . rr_1jdk 1
. 13 . 2461 . 1 1 3 TRP O O -1.011 8.372 -1.061 . . . 1.0 . . . . . . . . . . . . A . 3 TRP O . . . . . . . . . rr_1jdk 1
. 13 . 2462 . 1 1 4 GLY C C -3.996 6.861 -2.288 . . . 1.0 . . . . . . . . . . . . A . 4 GLY C . . . . . . . . . rr_1jdk 1
. 13 . 2463 . 1 1 4 GLY CA C -3.792 7.946 -1.215 . . . 1.0 . . . . . . . . . . . . A . 4 GLY CA . . . . . . . . . rr_1jdk 1
. 13 . 2464 . 1 1 4 GLY H H -3.478 9.880 -2.276 . . . 1.0 . . . . . . . . . . . . A . 4 GLY H . . . . . . . . . rr_1jdk 1
. 13 . 2465 . 1 1 4 GLY HA2 H -3.316 7.523 -0.305 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA2 . . . . . . . . . rr_1jdk 1
. 13 . 2466 . 1 1 4 GLY HA3 H -4.784 8.284 -0.862 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA3 . . . . . . . . . rr_1jdk 1
. 13 . 2467 . 1 1 4 GLY N N -3.037 9.111 -1.752 . . . 1.0 . . . . . . . . . . . . A . 4 GLY N . . . . . . . . . rr_1jdk 1
. 13 . 2468 . 1 1 4 GLY O O -4.979 6.906 -3.034 . . . 1.0 . . . . . . . . . . . . A . 4 GLY O . . . . . . . . . rr_1jdk 1
. 13 . 2469 . 1 1 5 GLU C C -2.486 3.529 -2.656 . . . 1.0 . . . . . . . . . . . . A . 5 GLU C . . . . . . . . . rr_1jdk 1
. 13 . 2470 . 1 1 5 GLU CA C -3.099 4.786 -3.341 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CA . . . . . . . . . rr_1jdk 1
. 13 . 2471 . 1 1 5 GLU CB C -2.336 5.246 -4.620 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CB . . . . . . . . . rr_1jdk 1
. 13 . 2472 . 1 1 5 GLU CD C -1.819 3.059 -5.994 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CD . . . . . . . . . rr_1jdk 1
. 13 . 2473 . 1 1 5 GLU CG C -2.521 4.425 -5.919 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CG . . . . . . . . . rr_1jdk 1
. 13 . 2474 . 1 1 5 GLU H H -2.287 6.003 -1.686 . . . 1.0 . . . . . . . . . . . . A . 5 GLU H . . . . . . . . . rr_1jdk 1
. 13 . 2475 . 1 1 5 GLU HA H -4.151 4.585 -3.634 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HA . . . . . . . . . rr_1jdk 1
. 13 . 2476 . 1 1 5 GLU HB2 H -2.668 6.272 -4.875 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB2 . . . . . . . . . rr_1jdk 1
. 13 . 2477 . 1 1 5 GLU HB3 H -1.257 5.358 -4.401 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB3 . . . . . . . . . rr_1jdk 1
. 13 . 2478 . 1 1 5 GLU HG2 H -3.601 4.290 -6.117 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG2 . . . . . . . . . rr_1jdk 1
. 13 . 2479 . 1 1 5 GLU HG3 H -2.173 5.039 -6.773 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG3 . . . . . . . . . rr_1jdk 1
. 13 . 2480 . 1 1 5 GLU N N -3.061 5.896 -2.351 . . . 1.0 . . . . . . . . . . . . A . 5 GLU N . . . . . . . . . rr_1jdk 1
. 13 . 2481 . 1 1 5 GLU O O -1.286 3.506 -2.364 . . . 1.0 . . . . . . . . . . . . A . 5 GLU O . . . . . . . . . rr_1jdk 1
. 13 . 2482 . 1 1 5 GLU OE1 O -2.491 2.025 -5.984 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE1 . . . . . . . . . rr_1jdk 1
. 13 . 2483 . 1 1 6 SER C C -3.002 0.030 -2.716 . . . 1.0 . . . . . . . . . . . . A . 6 SER C . . . . . . . . . rr_1jdk 1
. 13 . 2484 . 1 1 6 SER CA C -2.835 1.235 -1.730 . . . 1.0 . . . . . . . . . . . . A . 6 SER CA . . . . . . . . . rr_1jdk 1
. 13 . 2485 . 1 1 6 SER CB C -3.511 1.012 -0.346 . . . 1.0 . . . . . . . . . . . . A . 6 SER CB . . . . . . . . . rr_1jdk 1
. 13 . 2486 . 1 1 6 SER H H -4.271 2.618 -2.738 . . . 1.0 . . . . . . . . . . . . A . 6 SER H . . . . . . . . . rr_1jdk 1
. 13 . 2487 . 1 1 6 SER HA H -1.767 1.320 -1.438 . . . 1.0 . . . . . . . . . . . . A . 6 SER HA . . . . . . . . . rr_1jdk 1
. 13 . 2488 . 1 1 6 SER HB2 H -3.162 0.060 0.109 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB2 . . . . . . . . . rr_1jdk 1
. 13 . 2489 . 1 1 6 SER HB3 H -3.193 1.785 0.381 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB3 . . . . . . . . . rr_1jdk 1
. 13 . 2490 . 1 1 6 SER HG H -5.257 0.811 0.455 . . . 1.0 . . . . . . . . . . . . A . 6 SER HG . . . . . . . . . rr_1jdk 1
. 13 . 2491 . 1 1 6 SER N N -3.310 2.497 -2.385 . . . 1.0 . . . . . . . . . . . . A . 6 SER N . . . . . . . . . rr_1jdk 1
. 13 . 2492 . 1 1 6 SER O O -3.991 -0.706 -2.616 . . . 1.0 . . . . . . . . . . . . A . 6 SER O . . . . . . . . . rr_1jdk 1
. 13 . 2493 . 1 1 6 SER OG O -4.934 0.998 -0.430 . . . 1.0 . . . . . . . . . . . . A . 6 SER OG . . . . . . . . . rr_1jdk 1
. 13 . 2494 . 1 1 7 GLY C C -1.570 -2.642 -4.089 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . rr_1jdk 1
. 13 . 2495 . 1 1 7 GLY CA C -2.158 -1.323 -4.629 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . rr_1jdk 1
. 13 . 2496 . 1 1 7 GLY H H -1.356 0.530 -3.845 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . rr_1jdk 1
. 13 . 2497 . 1 1 7 GLY HA2 H -3.211 -1.491 -4.930 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . rr_1jdk 1
. 13 . 2498 . 1 1 7 GLY HA3 H -1.655 -1.026 -5.569 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . rr_1jdk 1
. 13 . 2499 . 1 1 7 GLY N N -2.057 -0.198 -3.666 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . rr_1jdk 1
. 13 . 2500 . 1 1 7 GLY O O -2.283 -3.402 -3.429 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . rr_1jdk 1
. 13 . 2501 . 1 1 8 LYS C C 1.251 -3.875 -2.637 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . rr_1jdk 1
. 13 . 2502 . 1 1 8 LYS CA C 0.418 -4.139 -3.929 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . rr_1jdk 1
. 13 . 2503 . 1 1 8 LYS CB C 1.245 -4.763 -5.091 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . rr_1jdk 1
. 13 . 2504 . 1 1 8 LYS CD C 1.235 -5.951 -7.410 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . rr_1jdk 1
. 13 . 2505 . 1 1 8 LYS CE C 1.978 -7.258 -7.071 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . rr_1jdk 1
. 13 . 2506 . 1 1 8 LYS CG C 0.408 -5.364 -6.247 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . rr_1jdk 1
. 13 . 2507 . 1 1 8 LYS H H 0.188 -2.181 -4.937 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . rr_1jdk 1
. 13 . 2508 . 1 1 8 LYS HA H -0.328 -4.910 -3.650 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . rr_1jdk 1
. 13 . 2509 . 1 1 8 LYS HB2 H 1.955 -4.016 -5.496 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . rr_1jdk 1
. 13 . 2510 . 1 1 8 LYS HB3 H 1.882 -5.567 -4.675 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . rr_1jdk 1
. 13 . 2511 . 1 1 8 LYS HD2 H 0.546 -6.138 -8.257 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . rr_1jdk 1
. 13 . 2512 . 1 1 8 LYS HD3 H 1.946 -5.187 -7.779 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . rr_1jdk 1
. 13 . 2513 . 1 1 8 LYS HE2 H 2.704 -7.095 -6.253 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . rr_1jdk 1
. 13 . 2514 . 1 1 8 LYS HE3 H 1.268 -8.023 -6.707 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . rr_1jdk 1
. 13 . 2515 . 1 1 8 LYS HG2 H -0.283 -6.134 -5.854 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . rr_1jdk 1
. 13 . 2516 . 1 1 8 LYS HG3 H -0.250 -4.575 -6.660 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . rr_1jdk 1
. 13 . 2517 . 1 1 8 LYS HZ1 H 3.359 -7.085 -8.600 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . rr_1jdk 1
. 13 . 2518 . 1 1 8 LYS HZ2 H 2.036 -7.950 -9.018 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . rr_1jdk 1
. 13 . 2519 . 1 1 8 LYS N N -0.282 -2.901 -4.378 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . rr_1jdk 1
. 13 . 2520 . 1 1 8 LYS NZ N 2.694 -7.783 -8.248 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . rr_1jdk 1
. 13 . 2521 . 1 1 8 LYS O O 0.874 -4.369 -1.570 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . rr_1jdk 1
. 13 . 2522 . 1 1 9 LEU C C 3.748 -1.336 -1.673 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . rr_1jdk 1
. 13 . 2523 . 1 1 9 LEU CA C 3.241 -2.804 -1.558 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . rr_1jdk 1
. 13 . 2524 . 1 1 9 LEU CB C 4.354 -3.886 -1.401 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . rr_1jdk 1
. 13 . 2525 . 1 1 9 LEU CD1 C 4.546 -3.983 1.174 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . rr_1jdk 1
. 13 . 2526 . 1 1 9 LEU CD2 C 6.462 -4.753 -0.273 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . rr_1jdk 1
. 13 . 2527 . 1 1 9 LEU CG C 5.285 -3.765 -0.162 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . rr_1jdk 1
. 13 . 2528 . 1 1 9 LEU H H 2.567 -2.765 -3.665 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . rr_1jdk 1
. 13 . 2529 . 1 1 9 LEU HA H 2.622 -2.838 -0.639 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . rr_1jdk 1
. 13 . 2530 . 1 1 9 LEU HB2 H 3.884 -4.890 -1.387 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . rr_1jdk 1
. 13 . 2531 . 1 1 9 LEU HB3 H 4.973 -3.886 -2.319 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . rr_1jdk 1
. 13 . 2532 . 1 1 9 LEU HD11 H 3.757 -3.226 1.335 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . rr_1jdk 1
. 13 . 2533 . 1 1 9 LEU HD12 H 4.064 -4.978 1.224 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . rr_1jdk 1
. 13 . 2534 . 1 1 9 LEU HD13 H 5.232 -3.906 2.038 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . rr_1jdk 1
. 13 . 2535 . 1 1 9 LEU HD21 H 7.053 -4.583 -1.193 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . rr_1jdk 1
. 13 . 2536 . 1 1 9 LEU HD22 H 7.165 -4.650 0.575 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . rr_1jdk 1
. 13 . 2537 . 1 1 9 LEU HD23 H 6.123 -5.807 -0.291 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . rr_1jdk 1
. 13 . 2538 . 1 1 9 LEU HG H 5.719 -2.747 -0.147 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . rr_1jdk 1
. 13 . 2539 . 1 1 9 LEU N N 2.367 -3.121 -2.724 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . rr_1jdk 1
. 13 . 2540 . 1 1 9 LEU O O 3.345 -0.500 -0.859 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . rr_1jdk 1
. 13 . 2541 . 1 1 10 ILE C C 4.378 0.978 -4.061 . . . 1.0 . . . . . . . . . . . . A . 10 ILE C . . . . . . . . . rr_1jdk 1
. 13 . 2542 . 1 1 10 ILE CA C 5.159 0.355 -2.867 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CA . . . . . . . . . rr_1jdk 1
. 13 . 2543 . 1 1 10 ILE CB C 6.737 0.386 -2.949 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CB . . . . . . . . . rr_1jdk 1
. 13 . 2544 . 1 1 10 ILE CD1 C 7.175 1.211 -0.481 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CD1 . . . . . . . . . rr_1jdk 1
. 13 . 2545 . 1 1 10 ILE CG1 C 7.407 0.134 -1.563 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CG1 . . . . . . . . . rr_1jdk 1
. 13 . 2546 . 1 1 10 ILE CG2 C 7.372 1.648 -3.599 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CG2 . . . . . . . . . rr_1jdk 1
. 13 . 2547 . 1 1 10 ILE H H 4.758 -1.790 -3.328 . . . 1.0 . . . . . . . . . . . . A . 10 ILE H . . . . . . . . . rr_1jdk 1
. 13 . 2548 . 1 1 10 ILE HA H 4.912 0.985 -1.991 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HA . . . . . . . . . rr_1jdk 1
. 13 . 2549 . 1 1 10 ILE HB H 7.070 -0.439 -3.608 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HB . . . . . . . . . rr_1jdk 1
. 13 . 2550 . 1 1 10 ILE HD11 H 7.499 2.213 -0.819 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD11 . . . . . . . . . rr_1jdk 1
. 13 . 2551 . 1 1 10 ILE HD12 H 6.111 1.295 -0.195 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD12 . . . . . . . . . rr_1jdk 1
. 13 . 2552 . 1 1 10 ILE HD13 H 7.738 0.982 0.439 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD13 . . . . . . . . . rr_1jdk 1
. 13 . 2553 . 1 1 10 ILE HG12 H 7.074 -0.842 -1.165 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG12 . . . . . . . . . rr_1jdk 1
. 13 . 2554 . 1 1 10 ILE HG13 H 8.499 0.011 -1.704 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG13 . . . . . . . . . rr_1jdk 1
. 13 . 2555 . 1 1 10 ILE HG21 H 7.065 2.584 -3.100 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG21 . . . . . . . . . rr_1jdk 1
. 13 . 2556 . 1 1 10 ILE HG22 H 8.480 1.614 -3.572 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG22 . . . . . . . . . rr_1jdk 1
. 13 . 2557 . 1 1 10 ILE HG23 H 7.105 1.746 -4.667 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG23 . . . . . . . . . rr_1jdk 1
. 13 . 2558 . 1 1 10 ILE N N 4.622 -1.024 -2.657 . . . 1.0 . . . . . . . . . . . . A . 10 ILE N . . . . . . . . . rr_1jdk 1
. 13 . 2559 . 1 1 10 ILE O O 4.760 0.825 -5.224 . . . 1.0 . . . . . . . . . . . . A . 10 ILE O . . . . . . . . . rr_1jdk 1
. 13 . 2560 . 1 1 11 . C C 2.156 3.800 -4.194 . . . 1.0 . . . . . . . . . . . . A . 11 DAB C . . . . . . . . . rr_1jdk 1
. 13 . 2561 . 1 1 11 . CA C 2.418 2.362 -4.738 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CA . . . . . . . . . rr_1jdk 1
. 13 . 2562 . 1 1 11 . CB C 1.152 1.493 -5.018 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CB . . . . . . . . . rr_1jdk 1
. 13 . 2563 . 1 1 11 . CG C 0.331 1.850 -6.279 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CG . . . . . . . . . rr_1jdk 1
. 13 . 2564 . 1 1 11 . H H 2.964 1.588 -2.756 . . . 1.0 . . . . . . . . . . . . A . 11 DAB H . . . . . . . . . rr_1jdk 1
. 13 . 2565 . 1 1 11 . HA H 2.966 2.472 -5.695 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HA . . . . . . . . . rr_1jdk 1
. 13 . 2566 . 1 1 11 . HB2 H 1.469 0.440 -5.151 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HB2 . . . . . . . . . rr_1jdk 1
. 13 . 2567 . 1 1 11 . HB3 H 0.492 1.471 -4.128 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HB3 . . . . . . . . . rr_1jdk 1
. 13 . 2568 . 1 1 11 . HD2 H -0.058 4.016 -6.110 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HD2 . . . . . . . . . rr_1jdk 1
. 13 . 2569 . 1 1 11 . HG2 H 1.010 1.974 -7.143 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HG2 . . . . . . . . . rr_1jdk 1
. 13 . 2570 . 1 1 11 . HG3 H -0.301 0.983 -6.552 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HG3 . . . . . . . . . rr_1jdk 1
. 13 . 2571 . 1 1 11 . N N 3.262 1.663 -3.736 . . . 1.0 . . . . . . . . . . . . A . 11 DAB N . . . . . . . . . rr_1jdk 1
. 13 . 2572 . 1 1 11 . ND N -0.483 3.079 -6.135 . . . 1.0 . . . . . . . . . . . . A . 11 DAB ND . . . . . . . . . rr_1jdk 1
. 13 . 2573 . 1 1 11 . O O 1.024 4.145 -3.847 . . . 1.0 . . . . . . . . . . . . A . 11 DAB O . . . . . . . . . rr_1jdk 1
. 13 . 2574 . 1 1 12 THR C C 3.974 6.965 -4.463 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_1jdk 1
. 13 . 2575 . 1 1 12 THR CA C 3.060 6.043 -3.605 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_1jdk 1
. 13 . 2576 . 1 1 12 THR CB C 3.362 6.139 -2.075 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_1jdk 1
. 13 . 2577 . 1 1 12 THR CG2 C 3.084 7.523 -1.463 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_1jdk 1
. 13 . 2578 . 1 1 12 THR H H 4.121 4.177 -4.130 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_1jdk 1
. 13 . 2579 . 1 1 12 THR HA H 2.006 6.353 -3.751 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_1jdk 1
. 13 . 2580 . 1 1 12 THR HB H 4.426 5.885 -1.897 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_1jdk 1
. 13 . 2581 . 1 1 12 THR HG1 H 2.750 5.373 -0.417 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG1 . . . . . . . . . rr_1jdk 1
. 13 . 2582 . 1 1 12 THR HG21 H 3.338 7.547 -0.388 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_1jdk 1
. 13 . 2583 . 1 1 12 THR HG22 H 3.675 8.320 -1.951 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_1jdk 1
. 13 . 2584 . 1 1 12 THR HG23 H 2.017 7.799 -1.552 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_1jdk 1
. 13 . 2585 . 1 1 12 THR N N 3.207 4.649 -4.110 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_1jdk 1
. 13 . 2586 . 1 1 12 THR O O 5.204 6.889 -4.376 . . . 1.0 . . . . . . . . . . . . A . 12 THR O . . . . . . . . . rr_1jdk 1
. 13 . 2587 . 1 1 12 THR OG1 O 2.560 5.216 -1.346 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_1jdk 1
. 13 . 2588 . 1 1 13 THR C C 3.309 10.137 -6.092 . . . 1.0 . . . . . . . . . . . . A . 13 THR C . . . . . . . . . rr_1jdk 1
. 13 . 2589 . 1 1 13 THR CA C 4.087 8.790 -6.165 . . . 1.0 . . . . . . . . . . . . A . 13 THR CA . . . . . . . . . rr_1jdk 1
. 13 . 2590 . 1 1 13 THR CB C 4.247 8.216 -7.609 . . . 1.0 . . . . . . . . . . . . A . 13 THR CB . . . . . . . . . rr_1jdk 1
. 13 . 2591 . 1 1 13 THR CG2 C 5.030 9.127 -8.570 . . . 1.0 . . . . . . . . . . . . A . 13 THR CG2 . . . . . . . . . rr_1jdk 1
. 13 . 2592 . 1 1 13 THR H H 2.330 7.788 -5.274 . . . 1.0 . . . . . . . . . . . . A . 13 THR H . . . . . . . . . rr_1jdk 1
. 13 . 2593 . 1 1 13 THR HA H 5.112 8.958 -5.773 . . . 1.0 . . . . . . . . . . . . A . 13 THR HA . . . . . . . . . rr_1jdk 1
. 13 . 2594 . 1 1 13 THR HB H 3.244 8.034 -8.044 . . . 1.0 . . . . . . . . . . . . A . 13 THR HB . . . . . . . . . rr_1jdk 1
. 13 . 2595 . 1 1 13 THR HG1 H 4.522 6.454 -6.881 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG1 . . . . . . . . . rr_1jdk 1
. 13 . 2596 . 1 1 13 THR HG21 H 5.133 8.662 -9.568 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG21 . . . . . . . . . rr_1jdk 1
. 13 . 2597 . 1 1 13 THR HG22 H 4.528 10.100 -8.719 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG22 . . . . . . . . . rr_1jdk 1
. 13 . 2598 . 1 1 13 THR HG23 H 6.052 9.333 -8.199 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG23 . . . . . . . . . rr_1jdk 1
. 13 . 2599 . 1 1 13 THR N N 3.356 7.830 -5.289 . . . 1.0 . . . . . . . . . . . . A . 13 THR N . . . . . . . . . rr_1jdk 1
. 13 . 2600 . 1 1 13 THR O O 2.388 10.377 -6.879 . . . 1.0 . . . . . . . . . . . . A . 13 THR O . . . . . . . . . rr_1jdk 1
. 13 . 2601 . 1 1 13 THR OG1 O 4.945 6.974 -7.568 . . . 1.0 . . . . . . . . . . . . A . 13 THR OG1 . . . . . . . . . rr_1jdk 1
. 13 . 2602 . 1 1 14 ALA C C 3.512 13.405 -5.973 . . . 1.0 . . . . . . . . . . . . A . 14 ALA C . . . . . . . . . rr_1jdk 1
. 13 . 2603 . 1 1 14 ALA CA C 3.044 12.338 -4.955 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CA . . . . . . . . . rr_1jdk 1
. 13 . 2604 . 1 1 14 ALA CB C 3.258 12.796 -3.500 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CB . . . . . . . . . rr_1jdk 1
. 13 . 2605 . 1 1 14 ALA H H 4.451 10.687 -4.533 . . . 1.0 . . . . . . . . . . . . A . 14 ALA H . . . . . . . . . rr_1jdk 1
. 13 . 2606 . 1 1 14 ALA HXT H 5.304 13.058 -5.301 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HXT . . . . . . . . . rr_1jdk 1
. 13 . 2607 . 1 1 14 ALA HA H 1.952 12.220 -5.089 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HA . . . . . . . . . rr_1jdk 1
. 13 . 2608 . 1 1 14 ALA HB1 H 4.326 12.954 -3.256 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB1 . . . . . . . . . rr_1jdk 1
. 13 . 2609 . 1 1 14 ALA HB2 H 2.733 13.748 -3.297 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB2 . . . . . . . . . rr_1jdk 1
. 13 . 2610 . 1 1 14 ALA HB3 H 2.863 12.060 -2.775 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB3 . . . . . . . . . rr_1jdk 1
. 13 . 2611 . 1 1 14 ALA N N 3.699 11.018 -5.148 . . . 1.0 . . . . . . . . . . . . A . 14 ALA N . . . . . . . . . rr_1jdk 1
. 13 . 2612 . 1 1 14 ALA O O 2.736 13.993 -6.725 . . . 1.0 . . . . . . . . . . . . A . 14 ALA O . . . . . . . . . rr_1jdk 1
. 13 . 2613 . 1 1 14 ALA OXT O 4.869 13.621 -5.944 . . . 1.0 . . . . . . . . . . . . A . 14 ALA OXT . . . . . . . . . rr_1jdk 1
. 14 . 2614 . 1 1 1 ACE C C -3.940 15.574 0.888 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . rr_1jdk 1
. 14 . 2615 . 1 1 1 ACE CH3 C -3.014 16.688 0.411 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . rr_1jdk 1
. 14 . 2616 . 1 1 1 ACE H1 H -2.427 17.104 1.251 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . rr_1jdk 1
. 14 . 2617 . 1 1 1 ACE H2 H -2.293 16.321 -0.343 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . rr_1jdk 1
. 14 . 2618 . 1 1 1 ACE H3 H -3.582 17.524 -0.038 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . rr_1jdk 1
. 14 . 2619 . 1 1 1 ACE O O -3.969 15.251 2.077 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . rr_1jdk 1
. 14 . 2620 . 1 1 2 ILE C C -5.716 13.009 -1.060 . . . 1.0 . . . . . . . . . . . . A . 2 ILE C . . . . . . . . . rr_1jdk 1
. 14 . 2621 . 1 1 2 ILE CA C -5.660 13.901 0.216 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CA . . . . . . . . . rr_1jdk 1
. 14 . 2622 . 1 1 2 ILE CB C -7.037 14.414 0.797 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CB . . . . . . . . . rr_1jdk 1
. 14 . 2623 . 1 1 2 ILE CD1 C -8.793 12.464 0.399 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CD1 . . . . . . . . . rr_1jdk 1
. 14 . 2624 . 1 1 2 ILE CG1 C -7.947 13.293 1.383 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG1 . . . . . . . . . rr_1jdk 1
. 14 . 2625 . 1 1 2 ILE CG2 C -7.855 15.417 -0.061 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG2 . . . . . . . . . rr_1jdk 1
. 14 . 2626 . 1 1 2 ILE H H -4.505 15.349 -1.012 . . . 1.0 . . . . . . . . . . . . A . 2 ILE H . . . . . . . . . rr_1jdk 1
. 14 . 2627 . 1 1 2 ILE HA H -5.223 13.278 1.025 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HA . . . . . . . . . rr_1jdk 1
. 14 . 2628 . 1 1 2 ILE HB H -6.750 15.001 1.692 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HB . . . . . . . . . rr_1jdk 1
. 14 . 2629 . 1 1 2 ILE HD11 H -9.414 11.726 0.935 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD11 . . . . . . . . . rr_1jdk 1
. 14 . 2630 . 1 1 2 ILE HD12 H -9.486 13.102 -0.182 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD12 . . . . . . . . . rr_1jdk 1
. 14 . 2631 . 1 1 2 ILE HD13 H -8.171 11.908 -0.324 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD13 . . . . . . . . . rr_1jdk 1
. 14 . 2632 . 1 1 2 ILE HG12 H -7.337 12.605 1.997 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG12 . . . . . . . . . rr_1jdk 1
. 14 . 2633 . 1 1 2 ILE HG13 H -8.644 13.755 2.108 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG13 . . . . . . . . . rr_1jdk 1
. 14 . 2634 . 1 1 2 ILE HG21 H -8.750 15.780 0.482 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG21 . . . . . . . . . rr_1jdk 1
. 14 . 2635 . 1 1 2 ILE HG22 H -7.269 16.314 -0.330 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG22 . . . . . . . . . rr_1jdk 1
. 14 . 2636 . 1 1 2 ILE HG23 H -8.224 14.969 -1.003 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG23 . . . . . . . . . rr_1jdk 1
. 14 . 2637 . 1 1 2 ILE N N -4.698 15.009 -0.062 . . . 1.0 . . . . . . . . . . . . A . 2 ILE N . . . . . . . . . rr_1jdk 1
. 14 . 2638 . 1 1 2 ILE O O -6.423 13.338 -2.019 . . . 1.0 . . . . . . . . . . . . A . 2 ILE O . . . . . . . . . rr_1jdk 1
. 14 . 2639 . 1 1 3 TRP C C -4.597 9.534 -1.709 . . . 1.0 . . . . . . . . . . . . A . 3 TRP C . . . . . . . . . rr_1jdk 1
. 14 . 2640 . 1 1 3 TRP CA C -4.928 10.958 -2.242 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CA . . . . . . . . . rr_1jdk 1
. 14 . 2641 . 1 1 3 TRP CB C -3.917 11.443 -3.320 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CB . . . . . . . . . rr_1jdk 1
. 14 . 2642 . 1 1 3 TRP CD1 C -3.144 9.604 -5.026 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD1 . . . . . . . . . rr_1jdk 1
. 14 . 2643 . 1 1 3 TRP CD2 C -4.821 10.888 -5.728 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD2 . . . . . . . . . rr_1jdk 1
. 14 . 2644 . 1 1 3 TRP CE2 C -4.501 9.930 -6.725 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE2 . . . . . . . . . rr_1jdk 1
. 14 . 2645 . 1 1 3 TRP CE3 C -5.848 11.842 -5.951 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE3 . . . . . . . . . rr_1jdk 1
. 14 . 2646 . 1 1 3 TRP CG C -3.975 10.682 -4.652 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CG . . . . . . . . . rr_1jdk 1
. 14 . 2647 . 1 1 3 TRP CH2 C -6.223 10.859 -8.148 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CH2 . . . . . . . . . rr_1jdk 1
. 14 . 2648 . 1 1 3 TRP CZ2 C -5.212 9.917 -7.949 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ2 . . . . . . . . . rr_1jdk 1
. 14 . 2649 . 1 1 3 TRP CZ3 C -6.536 11.807 -7.165 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ3 . . . . . . . . . rr_1jdk 1
. 14 . 2650 . 1 1 3 TRP H H -4.367 11.711 -0.254 . . . 1.0 . . . . . . . . . . . . A . 3 TRP H . . . . . . . . . rr_1jdk 1
. 14 . 2651 . 1 1 3 TRP HA H -5.930 10.960 -2.720 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HA . . . . . . . . . rr_1jdk 1
. 14 . 2652 . 1 1 3 TRP HB2 H -4.100 12.511 -3.538 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB2 . . . . . . . . . rr_1jdk 1
. 14 . 2653 . 1 1 3 TRP HB3 H -2.887 11.405 -2.917 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB3 . . . . . . . . . rr_1jdk 1
. 14 . 2654 . 1 1 3 TRP HD1 H -2.341 9.210 -4.418 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HD1 . . . . . . . . . rr_1jdk 1
. 14 . 2655 . 1 1 3 TRP HE1 H -3.000 8.366 -6.832 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE1 . . . . . . . . . rr_1jdk 1
. 14 . 2656 . 1 1 3 TRP HE3 H -6.090 12.591 -5.209 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE3 . . . . . . . . . rr_1jdk 1
. 14 . 2657 . 1 1 3 TRP HH2 H -6.772 10.859 -9.080 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HH2 . . . . . . . . . rr_1jdk 1
. 14 . 2658 . 1 1 3 TRP HZ2 H -4.976 9.194 -8.717 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ2 . . . . . . . . . rr_1jdk 1
. 14 . 2659 . 1 1 3 TRP HZ3 H -7.319 12.527 -7.352 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ3 . . . . . . . . . rr_1jdk 1
. 14 . 2660 . 1 1 3 TRP N N -4.953 11.889 -1.082 . . . 1.0 . . . . . . . . . . . . A . 3 TRP N . . . . . . . . . rr_1jdk 1
. 14 . 2661 . 1 1 3 TRP NE1 N -3.461 9.119 -6.307 . . . 1.0 . . . . . . . . . . . . A . 3 TRP NE1 . . . . . . . . . rr_1jdk 1
. 14 . 2662 . 1 1 3 TRP O O -3.463 9.266 -1.294 . . . 1.0 . . . . . . . . . . . . A . 3 TRP O . . . . . . . . . rr_1jdk 1
. 14 . 2663 . 1 1 4 GLY C C -4.959 6.292 -2.414 . . . 1.0 . . . . . . . . . . . . A . 4 GLY C . . . . . . . . . rr_1jdk 1
. 14 . 2664 . 1 1 4 GLY CA C -5.401 7.227 -1.270 . . . 1.0 . . . . . . . . . . . . A . 4 GLY CA . . . . . . . . . rr_1jdk 1
. 14 . 2665 . 1 1 4 GLY H H -6.480 8.984 -2.111 . . . 1.0 . . . . . . . . . . . . A . 4 GLY H . . . . . . . . . rr_1jdk 1
. 14 . 2666 . 1 1 4 GLY HA2 H -4.704 7.170 -0.405 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA2 . . . . . . . . . rr_1jdk 1
. 14 . 2667 . 1 1 4 GLY HA3 H -6.355 6.845 -0.862 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA3 . . . . . . . . . rr_1jdk 1
. 14 . 2668 . 1 1 4 GLY N N -5.590 8.627 -1.738 . . . 1.0 . . . . . . . . . . . . A . 4 GLY N . . . . . . . . . rr_1jdk 1
. 14 . 2669 . 1 1 4 GLY O O -5.779 5.930 -3.263 . . . 1.0 . . . . . . . . . . . . A . 4 GLY O . . . . . . . . . rr_1jdk 1
. 14 . 2670 . 1 1 5 GLU C C -2.413 3.822 -2.701 . . . 1.0 . . . . . . . . . . . . A . 5 GLU C . . . . . . . . . rr_1jdk 1
. 14 . 2671 . 1 1 5 GLU CA C -3.085 5.011 -3.446 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CA . . . . . . . . . rr_1jdk 1
. 14 . 2672 . 1 1 5 GLU CB C -2.081 5.783 -4.360 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CB . . . . . . . . . rr_1jdk 1
. 14 . 2673 . 1 1 5 GLU CD C -1.346 3.786 -5.922 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CD . . . . . . . . . rr_1jdk 1
. 14 . 2674 . 1 1 5 GLU CG C -1.876 5.226 -5.792 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CG . . . . . . . . . rr_1jdk 1
. 14 . 2675 . 1 1 5 GLU H H -3.134 6.239 -1.600 . . . 1.0 . . . . . . . . . . . . A . 5 GLU H . . . . . . . . . rr_1jdk 1
. 14 . 2676 . 1 1 5 GLU HA H -3.889 4.630 -4.109 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HA . . . . . . . . . rr_1jdk 1
. 14 . 2677 . 1 1 5 GLU HB2 H -2.434 6.821 -4.499 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB2 . . . . . . . . . rr_1jdk 1
. 14 . 2678 . 1 1 5 GLU HB3 H -1.097 5.898 -3.865 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB3 . . . . . . . . . rr_1jdk 1
. 14 . 2679 . 1 1 5 GLU HG2 H -2.837 5.289 -6.335 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG2 . . . . . . . . . rr_1jdk 1
. 14 . 2680 . 1 1 5 GLU HG3 H -1.212 5.912 -6.353 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG3 . . . . . . . . . rr_1jdk 1
. 14 . 2681 . 1 1 5 GLU N N -3.668 5.916 -2.416 . . . 1.0 . . . . . . . . . . . . A . 5 GLU N . . . . . . . . . rr_1jdk 1
. 14 . 2682 . 1 1 5 GLU O O -1.427 4.019 -1.981 . . . 1.0 . . . . . . . . . . . . A . 5 GLU O . . . . . . . . . rr_1jdk 1
. 14 . 2683 . 1 1 5 GLU OE1 O -2.139 2.865 -6.134 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE1 . . . . . . . . . rr_1jdk 1
. 14 . 2684 . 1 1 6 SER C C -2.379 0.204 -3.242 . . . 1.0 . . . . . . . . . . . . A . 6 SER C . . . . . . . . . rr_1jdk 1
. 14 . 2685 . 1 1 6 SER CA C -2.397 1.378 -2.212 . . . 1.0 . . . . . . . . . . . . A . 6 SER CA . . . . . . . . . rr_1jdk 1
. 14 . 2686 . 1 1 6 SER CB C -3.048 1.146 -0.816 . . . 1.0 . . . . . . . . . . . . A . 6 SER CB . . . . . . . . . rr_1jdk 1
. 14 . 2687 . 1 1 6 SER H H -3.729 2.547 -3.537 . . . 1.0 . . . . . . . . . . . . A . 6 SER H . . . . . . . . . rr_1jdk 1
. 14 . 2688 . 1 1 6 SER HA H -1.321 1.543 -2.003 . . . 1.0 . . . . . . . . . . . . A . 6 SER HA . . . . . . . . . rr_1jdk 1
. 14 . 2689 . 1 1 6 SER HB2 H -2.560 0.294 -0.302 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB2 . . . . . . . . . rr_1jdk 1
. 14 . 2690 . 1 1 6 SER HB3 H -2.873 2.016 -0.155 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB3 . . . . . . . . . rr_1jdk 1
. 14 . 2691 . 1 1 6 SER HG H -4.775 0.830 -0.012 . . . 1.0 . . . . . . . . . . . . A . 6 SER HG . . . . . . . . . rr_1jdk 1
. 14 . 2692 . 1 1 6 SER N N -2.955 2.599 -2.863 . . . 1.0 . . . . . . . . . . . . A . 6 SER N . . . . . . . . . rr_1jdk 1
. 14 . 2693 . 1 1 6 SER O O -1.792 0.366 -4.318 . . . 1.0 . . . . . . . . . . . . A . 6 SER O . . . . . . . . . rr_1jdk 1
. 14 . 2694 . 1 1 6 SER OG O -4.449 0.898 -0.913 . . . 1.0 . . . . . . . . . . . . A . 6 SER OG . . . . . . . . . rr_1jdk 1
. 14 . 2695 . 1 1 7 GLY C C -1.675 -2.975 -3.743 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . rr_1jdk 1
. 14 . 2696 . 1 1 7 GLY CA C -2.968 -2.141 -3.857 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . rr_1jdk 1
. 14 . 2697 . 1 1 7 GLY H H -3.402 -1.005 -2.009 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . rr_1jdk 1
. 14 . 2698 . 1 1 7 GLY HA2 H -3.831 -2.784 -3.605 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . rr_1jdk 1
. 14 . 2699 . 1 1 7 GLY HA3 H -3.147 -1.826 -4.904 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . rr_1jdk 1
. 14 . 2700 . 1 1 7 GLY N N -2.966 -0.974 -2.936 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . rr_1jdk 1
. 14 . 2701 . 1 1 7 GLY O O -1.654 -4.032 -3.108 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . rr_1jdk 1
. 14 . 2702 . 1 1 8 LYS C C 1.538 -2.624 -3.109 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . rr_1jdk 1
. 14 . 2703 . 1 1 8 LYS CA C 0.739 -3.093 -4.371 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . rr_1jdk 1
. 14 . 2704 . 1 1 8 LYS CB C 1.435 -2.679 -5.701 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . rr_1jdk 1
. 14 . 2705 . 1 1 8 LYS CD C 3.433 -2.974 -7.341 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . rr_1jdk 1
. 14 . 2706 . 1 1 8 LYS CE C 4.113 -1.594 -7.251 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . rr_1jdk 1
. 14 . 2707 . 1 1 8 LYS CG C 2.751 -3.423 -6.032 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . rr_1jdk 1
. 14 . 2708 . 1 1 8 LYS H H -0.774 -1.529 -4.762 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . rr_1jdk 1
. 14 . 2709 . 1 1 8 LYS HA H 0.629 -4.196 -4.362 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . rr_1jdk 1
. 14 . 2710 . 1 1 8 LYS HB2 H 0.744 -2.846 -6.551 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . rr_1jdk 1
. 14 . 2711 . 1 1 8 LYS HB3 H 1.618 -1.586 -5.695 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . rr_1jdk 1
. 14 . 2712 . 1 1 8 LYS HD2 H 4.194 -3.731 -7.608 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . rr_1jdk 1
. 14 . 2713 . 1 1 8 LYS HD3 H 2.700 -2.993 -8.170 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . rr_1jdk 1
. 14 . 2714 . 1 1 8 LYS HE2 H 3.375 -0.805 -7.011 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . rr_1jdk 1
. 14 . 2715 . 1 1 8 LYS HE3 H 4.854 -1.582 -6.430 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . rr_1jdk 1
. 14 . 2716 . 1 1 8 LYS HG2 H 3.476 -3.326 -5.203 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . rr_1jdk 1
. 14 . 2717 . 1 1 8 LYS HG3 H 2.536 -4.506 -6.101 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . rr_1jdk 1
. 14 . 2718 . 1 1 8 LYS HZ1 H 5.211 -0.315 -8.449 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . rr_1jdk 1
. 14 . 2719 . 1 1 8 LYS HZ2 H 4.109 -1.193 -9.280 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . rr_1jdk 1
. 14 . 2720 . 1 1 8 LYS N N -0.610 -2.469 -4.383 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . rr_1jdk 1
. 14 . 2721 . 1 1 8 LYS NZ N 4.791 -1.248 -8.514 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . rr_1jdk 1
. 14 . 2722 . 1 1 8 LYS O O 1.322 -1.524 -2.582 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . rr_1jdk 1
. 14 . 2723 . 1 1 9 LEU C C 4.189 -1.825 -1.461 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . rr_1jdk 1
. 14 . 2724 . 1 1 9 LEU CA C 3.352 -3.155 -1.462 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . rr_1jdk 1
. 14 . 2725 . 1 1 9 LEU CB C 4.175 -4.422 -1.076 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . rr_1jdk 1
. 14 . 2726 . 1 1 9 LEU CD1 C 6.585 -4.255 -2.015 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . rr_1jdk 1
. 14 . 2727 . 1 1 9 LEU CD2 C 5.466 -6.492 -1.831 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . rr_1jdk 1
. 14 . 2728 . 1 1 9 LEU CG C 5.230 -4.988 -2.077 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . rr_1jdk 1
. 14 . 2729 . 1 1 9 LEU H H 2.570 -4.344 -3.161 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . rr_1jdk 1
. 14 . 2730 . 1 1 9 LEU HA H 2.647 -3.018 -0.618 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . rr_1jdk 1
. 14 . 2731 . 1 1 9 LEU HB2 H 4.658 -4.254 -0.095 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . rr_1jdk 1
. 14 . 2732 . 1 1 9 LEU HB3 H 3.434 -5.216 -0.855 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . rr_1jdk 1
. 14 . 2733 . 1 1 9 LEU HD11 H 6.491 -3.189 -2.276 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . rr_1jdk 1
. 14 . 2734 . 1 1 9 LEU HD12 H 7.039 -4.303 -1.007 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . rr_1jdk 1
. 14 . 2735 . 1 1 9 LEU HD13 H 7.316 -4.683 -2.726 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . rr_1jdk 1
. 14 . 2736 . 1 1 9 LEU HD21 H 5.866 -6.691 -0.818 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . rr_1jdk 1
. 14 . 2737 . 1 1 9 LEU HD22 H 4.531 -7.073 -1.933 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . rr_1jdk 1
. 14 . 2738 . 1 1 9 LEU HD23 H 6.183 -6.919 -2.557 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . rr_1jdk 1
. 14 . 2739 . 1 1 9 LEU HG H 4.837 -4.890 -3.106 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . rr_1jdk 1
. 14 . 2740 . 1 1 9 LEU N N 2.488 -3.460 -2.648 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . rr_1jdk 1
. 14 . 2741 . 1 1 9 LEU O O 4.571 -1.364 -0.382 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . rr_1jdk 1
. 14 . 2742 . 1 1 10 ILE C C 4.430 0.903 -3.803 . . . 1.0 . . . . . . . . . . . . A . 10 ILE C . . . . . . . . . rr_1jdk 1
. 14 . 2743 . 1 1 10 ILE CA C 5.223 0.056 -2.758 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CA . . . . . . . . . rr_1jdk 1
. 14 . 2744 . 1 1 10 ILE CB C 6.772 -0.150 -2.975 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CB . . . . . . . . . rr_1jdk 1
. 14 . 2745 . 1 1 10 ILE CD1 C 7.654 2.208 -3.800 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CD1 . . . . . . . . . rr_1jdk 1
. 14 . 2746 . 1 1 10 ILE CG1 C 7.627 1.124 -2.709 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CG1 . . . . . . . . . rr_1jdk 1
. 14 . 2747 . 1 1 10 ILE CG2 C 7.240 -0.877 -4.267 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CG2 . . . . . . . . . rr_1jdk 1
. 14 . 2748 . 1 1 10 ILE H H 3.996 -1.670 -3.432 . . . 1.0 . . . . . . . . . . . . A . 10 ILE H . . . . . . . . . rr_1jdk 1
. 14 . 2749 . 1 1 10 ILE HA H 5.140 0.596 -1.791 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HA . . . . . . . . . rr_1jdk 1
. 14 . 2750 . 1 1 10 ILE HB H 7.073 -0.833 -2.156 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HB . . . . . . . . . rr_1jdk 1
. 14 . 2751 . 1 1 10 ILE HD11 H 8.310 3.047 -3.506 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD11 . . . . . . . . . rr_1jdk 1
. 14 . 2752 . 1 1 10 ILE HD12 H 8.049 1.815 -4.756 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD12 . . . . . . . . . rr_1jdk 1
. 14 . 2753 . 1 1 10 ILE HD13 H 6.652 2.626 -3.999 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD13 . . . . . . . . . rr_1jdk 1
. 14 . 2754 . 1 1 10 ILE HG12 H 7.310 1.587 -1.756 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG12 . . . . . . . . . rr_1jdk 1
. 14 . 2755 . 1 1 10 ILE HG13 H 8.673 0.812 -2.523 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG13 . . . . . . . . . rr_1jdk 1
. 14 . 2756 . 1 1 10 ILE HG21 H 6.758 -1.861 -4.396 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG21 . . . . . . . . . rr_1jdk 1
. 14 . 2757 . 1 1 10 ILE HG22 H 7.042 -0.292 -5.184 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG22 . . . . . . . . . rr_1jdk 1
. 14 . 2758 . 1 1 10 ILE HG23 H 8.334 -1.064 -4.253 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG23 . . . . . . . . . rr_1jdk 1
. 14 . 2759 . 1 1 10 ILE N N 4.478 -1.230 -2.638 . . . 1.0 . . . . . . . . . . . . A . 10 ILE N . . . . . . . . . rr_1jdk 1
. 14 . 2760 . 1 1 10 ILE O O 4.677 0.794 -5.008 . . . 1.0 . . . . . . . . . . . . A . 10 ILE O . . . . . . . . . rr_1jdk 1
. 14 . 2761 . 1 1 11 . C C 2.281 3.872 -3.466 . . . 1.0 . . . . . . . . . . . . A . 11 DAB C . . . . . . . . . rr_1jdk 1
. 14 . 2762 . 1 1 11 . CA C 2.621 2.568 -4.239 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CA . . . . . . . . . rr_1jdk 1
. 14 . 2763 . 1 1 11 . CB C 1.351 1.786 -4.697 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CB . . . . . . . . . rr_1jdk 1
. 14 . 2764 . 1 1 11 . CG C 0.644 2.301 -5.972 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CG . . . . . . . . . rr_1jdk 1
. 14 . 2765 . 1 1 11 . H H 3.343 1.800 -2.324 . . . 1.0 . . . . . . . . . . . . A . 11 DAB H . . . . . . . . . rr_1jdk 1
. 14 . 2766 . 1 1 11 . HA H 3.206 2.817 -5.149 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HA . . . . . . . . . rr_1jdk 1
. 14 . 2767 . 1 1 11 . HB2 H 1.637 0.738 -4.913 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HB2 . . . . . . . . . rr_1jdk 1
. 14 . 2768 . 1 1 11 . HB3 H 0.623 1.698 -3.868 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HB3 . . . . . . . . . rr_1jdk 1
. 14 . 2769 . 1 1 11 . HD2 H 0.508 4.478 -5.632 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HD2 . . . . . . . . . rr_1jdk 1
. 14 . 2770 . 1 1 11 . HG2 H 1.379 2.376 -6.795 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HG2 . . . . . . . . . rr_1jdk 1
. 14 . 2771 . 1 1 11 . HG3 H -0.070 1.525 -6.313 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HG3 . . . . . . . . . rr_1jdk 1
. 14 . 2772 . 1 1 11 . N N 3.456 1.726 -3.343 . . . 1.0 . . . . . . . . . . . . A . 11 DAB N . . . . . . . . . rr_1jdk 1
. 14 . 2773 . 1 1 11 . ND N -0.021 3.616 -5.809 . . . 1.0 . . . . . . . . . . . . A . 11 DAB ND . . . . . . . . . rr_1jdk 1
. 14 . 2774 . 1 1 11 . O O 1.498 3.861 -2.511 . . . 1.0 . . . . . . . . . . . . A . 11 DAB O . . . . . . . . . rr_1jdk 1
. 14 . 2775 . 1 1 12 THR C C 2.817 7.429 -4.370 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_1jdk 1
. 14 . 2776 . 1 1 12 THR CA C 2.676 6.329 -3.273 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_1jdk 1
. 14 . 2777 . 1 1 12 THR CB C 3.591 6.556 -2.028 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_1jdk 1
. 14 . 2778 . 1 1 12 THR CG2 C 5.114 6.586 -2.269 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_1jdk 1
. 14 . 2779 . 1 1 12 THR H H 3.548 4.848 -4.664 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_1jdk 1
. 14 . 2780 . 1 1 12 THR HA H 1.634 6.361 -2.892 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_1jdk 1
. 14 . 2781 . 1 1 12 THR HB H 3.390 5.740 -1.306 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_1jdk 1
. 14 . 2782 . 1 1 12 THR HG1 H 3.820 7.872 -0.642 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG1 . . . . . . . . . rr_1jdk 1
. 14 . 2783 . 1 1 12 THR HG21 H 5.411 7.421 -2.929 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_1jdk 1
. 14 . 2784 . 1 1 12 THR HG22 H 5.669 6.704 -1.320 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_1jdk 1
. 14 . 2785 . 1 1 12 THR HG23 H 5.471 5.650 -2.737 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_1jdk 1
. 14 . 2786 . 1 1 12 THR N N 2.887 4.992 -3.894 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_1jdk 1
. 14 . 2787 . 1 1 12 THR O O 3.785 7.442 -5.138 . . . 1.0 . . . . . . . . . . . . A . 12 THR O . . . . . . . . . rr_1jdk 1
. 14 . 2788 . 1 1 12 THR OG1 O 3.228 7.777 -1.392 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_1jdk 1
. 14 . 2789 . 1 1 13 THR C C 2.490 10.721 -4.731 . . . 1.0 . . . . . . . . . . . . A . 13 THR C . . . . . . . . . rr_1jdk 1
. 14 . 2790 . 1 1 13 THR CA C 1.841 9.477 -5.409 . . . 1.0 . . . . . . . . . . . . A . 13 THR CA . . . . . . . . . rr_1jdk 1
. 14 . 2791 . 1 1 13 THR CB C 0.389 9.724 -5.916 . . . 1.0 . . . . . . . . . . . . A . 13 THR CB . . . . . . . . . rr_1jdk 1
. 14 . 2792 . 1 1 13 THR CG2 C 0.264 10.803 -7.006 . . . 1.0 . . . . . . . . . . . . A . 13 THR CG2 . . . . . . . . . rr_1jdk 1
. 14 . 2793 . 1 1 13 THR H H 1.138 8.286 -3.681 . . . 1.0 . . . . . . . . . . . . A . 13 THR H . . . . . . . . . rr_1jdk 1
. 14 . 2794 . 1 1 13 THR HA H 2.431 9.188 -6.304 . . . 1.0 . . . . . . . . . . . . A . 13 THR HA . . . . . . . . . rr_1jdk 1
. 14 . 2795 . 1 1 13 THR HB H -0.244 10.030 -5.062 . . . 1.0 . . . . . . . . . . . . A . 13 THR HB . . . . . . . . . rr_1jdk 1
. 14 . 2796 . 1 1 13 THR HG1 H 0.019 7.838 -5.818 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG1 . . . . . . . . . rr_1jdk 1
. 14 . 2797 . 1 1 13 THR HG21 H 0.861 10.552 -7.903 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG21 . . . . . . . . . rr_1jdk 1
. 14 . 2798 . 1 1 13 THR HG22 H -0.786 10.920 -7.333 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG22 . . . . . . . . . rr_1jdk 1
. 14 . 2799 . 1 1 13 THR HG23 H 0.602 11.792 -6.648 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG23 . . . . . . . . . rr_1jdk 1
. 14 . 2800 . 1 1 13 THR N N 1.845 8.359 -4.420 . . . 1.0 . . . . . . . . . . . . A . 13 THR N . . . . . . . . . rr_1jdk 1
. 14 . 2801 . 1 1 13 THR O O 1.857 11.397 -3.912 . . . 1.0 . . . . . . . . . . . . A . 13 THR O . . . . . . . . . rr_1jdk 1
. 14 . 2802 . 1 1 13 THR OG1 O -0.150 8.525 -6.467 . . . 1.0 . . . . . . . . . . . . A . 13 THR OG1 . . . . . . . . . rr_1jdk 1
. 14 . 2803 . 1 1 14 ALA C C 5.391 12.758 -5.642 . . . 1.0 . . . . . . . . . . . . A . 14 ALA C . . . . . . . . . rr_1jdk 1
. 14 . 2804 . 1 1 14 ALA CA C 4.522 12.144 -4.525 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CA . . . . . . . . . rr_1jdk 1
. 14 . 2805 . 1 1 14 ALA CB C 5.372 11.678 -3.326 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CB . . . . . . . . . rr_1jdk 1
. 14 . 2806 . 1 1 14 ALA H H 4.181 10.336 -5.740 . . . 1.0 . . . . . . . . . . . . A . 14 ALA H . . . . . . . . . rr_1jdk 1
. 14 . 2807 . 1 1 14 ALA HXT H 5.509 14.372 -6.705 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HXT . . . . . . . . . rr_1jdk 1
. 14 . 2808 . 1 1 14 ALA HA H 3.829 12.929 -4.159 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HA . . . . . . . . . rr_1jdk 1
. 14 . 2809 . 1 1 14 ALA HB1 H 6.100 10.892 -3.606 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB1 . . . . . . . . . rr_1jdk 1
. 14 . 2810 . 1 1 14 ALA HB2 H 5.946 12.515 -2.887 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB2 . . . . . . . . . rr_1jdk 1
. 14 . 2811 . 1 1 14 ALA HB3 H 4.740 11.265 -2.517 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB3 . . . . . . . . . rr_1jdk 1
. 14 . 2812 . 1 1 14 ALA N N 3.759 10.999 -5.081 . . . 1.0 . . . . . . . . . . . . A . 14 ALA N . . . . . . . . . rr_1jdk 1
. 14 . 2813 . 1 1 14 ALA O O 6.361 12.193 -6.153 . . . 1.0 . . . . . . . . . . . . A . 14 ALA O . . . . . . . . . rr_1jdk 1
. 14 . 2814 . 1 1 14 ALA OXT O 4.959 14.006 -6.009 . . . 1.0 . . . . . . . . . . . . A . 14 ALA OXT . . . . . . . . . rr_1jdk 1
. 15 . 2815 . 1 1 1 ACE C C -8.511 4.779 -10.911 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . rr_1jdk 1
. 15 . 2816 . 1 1 1 ACE CH3 C -8.551 4.798 -12.436 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . rr_1jdk 1
. 15 . 2817 . 1 1 1 ACE H1 H -9.587 4.907 -12.805 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . rr_1jdk 1
. 15 . 2818 . 1 1 1 ACE H2 H -7.965 5.640 -12.850 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . rr_1jdk 1
. 15 . 2819 . 1 1 1 ACE H3 H -8.148 3.860 -12.861 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . rr_1jdk 1
. 15 . 2820 . 1 1 1 ACE O O -9.557 4.789 -10.258 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . rr_1jdk 1
. 15 . 2821 . 1 1 2 ILE C C -5.771 5.575 -8.585 . . . 1.0 . . . . . . . . . . . . A . 2 ILE C . . . . . . . . . rr_1jdk 1
. 15 . 2822 . 1 1 2 ILE CA C -7.048 4.725 -8.897 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CA . . . . . . . . . rr_1jdk 1
. 15 . 2823 . 1 1 2 ILE CB C -7.087 3.254 -8.319 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CB . . . . . . . . . rr_1jdk 1
. 15 . 2824 . 1 1 2 ILE CD1 C -8.773 3.486 -6.365 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CD1 . . . . . . . . . rr_1jdk 1
. 15 . 2825 . 1 1 2 ILE CG1 C -7.321 3.205 -6.783 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG1 . . . . . . . . . rr_1jdk 1
. 15 . 2826 . 1 1 2 ILE CG2 C -5.900 2.326 -8.686 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG2 . . . . . . . . . rr_1jdk 1
. 15 . 2827 . 1 1 2 ILE H H -6.531 4.805 -11.058 . . . 1.0 . . . . . . . . . . . . A . 2 ILE H . . . . . . . . . rr_1jdk 1
. 15 . 2828 . 1 1 2 ILE HA H -7.900 5.255 -8.424 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HA . . . . . . . . . rr_1jdk 1
. 15 . 2829 . 1 1 2 ILE HB H -7.967 2.758 -8.774 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HB . . . . . . . . . rr_1jdk 1
. 15 . 2830 . 1 1 2 ILE HD11 H -9.473 2.771 -6.839 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD11 . . . . . . . . . rr_1jdk 1
. 15 . 2831 . 1 1 2 ILE HD12 H -8.899 3.387 -5.272 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD12 . . . . . . . . . rr_1jdk 1
. 15 . 2832 . 1 1 2 ILE HD13 H -9.100 4.502 -6.647 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD13 . . . . . . . . . rr_1jdk 1
. 15 . 2833 . 1 1 2 ILE HG12 H -7.065 2.203 -6.384 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG12 . . . . . . . . . rr_1jdk 1
. 15 . 2834 . 1 1 2 ILE HG13 H -6.633 3.899 -6.262 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG13 . . . . . . . . . rr_1jdk 1
. 15 . 2835 . 1 1 2 ILE HG21 H -4.963 2.620 -8.182 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG21 . . . . . . . . . rr_1jdk 1
. 15 . 2836 . 1 1 2 ILE HG22 H -6.093 1.277 -8.384 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG22 . . . . . . . . . rr_1jdk 1
. 15 . 2837 . 1 1 2 ILE HG23 H -5.700 2.308 -9.773 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG23 . . . . . . . . . rr_1jdk 1
. 15 . 2838 . 1 1 2 ILE N N -7.286 4.745 -10.369 . . . 1.0 . . . . . . . . . . . . A . 2 ILE N . . . . . . . . . rr_1jdk 1
. 15 . 2839 . 1 1 2 ILE O O -4.646 5.099 -8.757 . . . 1.0 . . . . . . . . . . . . A . 2 ILE O . . . . . . . . . rr_1jdk 1
. 15 . 2840 . 1 1 3 TRP C C -5.116 8.401 -6.424 . . . 1.0 . . . . . . . . . . . . A . 3 TRP C . . . . . . . . . rr_1jdk 1
. 15 . 2841 . 1 1 3 TRP CA C -4.827 7.761 -7.815 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CA . . . . . . . . . rr_1jdk 1
. 15 . 2842 . 1 1 3 TRP CB C -4.499 8.766 -8.960 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CB . . . . . . . . . rr_1jdk 1
. 15 . 2843 . 1 1 3 TRP CD1 C -5.519 11.186 -8.973 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD1 . . . . . . . . . rr_1jdk 1
. 15 . 2844 . 1 1 3 TRP CD2 C -6.693 9.673 -10.099 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD2 . . . . . . . . . rr_1jdk 1
. 15 . 2845 . 1 1 3 TRP CE2 C -7.343 10.930 -10.178 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE2 . . . . . . . . . rr_1jdk 1
. 15 . 2846 . 1 1 3 TRP CE3 C -7.258 8.532 -10.716 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE3 . . . . . . . . . rr_1jdk 1
. 15 . 2847 . 1 1 3 TRP CG C -5.548 9.826 -9.342 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CG . . . . . . . . . rr_1jdk 1
. 15 . 2848 . 1 1 3 TRP CH2 C -9.109 9.916 -11.487 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CH2 . . . . . . . . . rr_1jdk 1
. 15 . 2849 . 1 1 3 TRP CZ2 C -8.566 11.053 -10.881 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ2 . . . . . . . . . rr_1jdk 1
. 15 . 2850 . 1 1 3 TRP CZ3 C -8.465 8.674 -11.403 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ3 . . . . . . . . . rr_1jdk 1
. 15 . 2851 . 1 1 3 TRP H H -6.910 7.206 -8.204 . . . 1.0 . . . . . . . . . . . . A . 3 TRP H . . . . . . . . . rr_1jdk 1
. 15 . 2852 . 1 1 3 TRP HA H -3.891 7.170 -7.727 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HA . . . . . . . . . rr_1jdk 1
. 15 . 2853 . 1 1 3 TRP HB2 H -3.556 9.284 -8.702 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB2 . . . . . . . . . rr_1jdk 1
. 15 . 2854 . 1 1 3 TRP HB3 H -4.240 8.192 -9.870 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB3 . . . . . . . . . rr_1jdk 1
. 15 . 2855 . 1 1 3 TRP HD1 H -4.756 11.625 -8.347 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HD1 . . . . . . . . . rr_1jdk 1
. 15 . 2856 . 1 1 3 TRP HE1 H -6.863 12.881 -9.351 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE1 . . . . . . . . . rr_1jdk 1
. 15 . 2857 . 1 1 3 TRP HE3 H -6.767 7.574 -10.619 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE3 . . . . . . . . . rr_1jdk 1
. 15 . 2858 . 1 1 3 TRP HH2 H -10.043 9.994 -12.022 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HH2 . . . . . . . . . rr_1jdk 1
. 15 . 2859 . 1 1 3 TRP HZ2 H -9.076 12.003 -10.946 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ2 . . . . . . . . . rr_1jdk 1
. 15 . 2860 . 1 1 3 TRP HZ3 H -8.915 7.811 -11.870 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ3 . . . . . . . . . rr_1jdk 1
. 15 . 2861 . 1 1 3 TRP N N -5.950 6.844 -8.151 . . . 1.0 . . . . . . . . . . . . A . 3 TRP N . . . . . . . . . rr_1jdk 1
. 15 . 2862 . 1 1 3 TRP NE1 N -6.627 11.892 -9.483 . . . 1.0 . . . . . . . . . . . . A . 3 TRP NE1 . . . . . . . . . rr_1jdk 1
. 15 . 2863 . 1 1 3 TRP O O -5.777 9.438 -6.304 . . . 1.0 . . . . . . . . . . . . A . 3 TRP O . . . . . . . . . rr_1jdk 1
. 15 . 2864 . 1 1 4 GLY C C -3.825 7.445 -3.054 . . . 1.0 . . . . . . . . . . . . A . 4 GLY C . . . . . . . . . rr_1jdk 1
. 15 . 2865 . 1 1 4 GLY CA C -4.798 8.195 -3.975 . . . 1.0 . . . . . . . . . . . . A . 4 GLY CA . . . . . . . . . rr_1jdk 1
. 15 . 2866 . 1 1 4 GLY H H -4.195 6.842 -5.627 . . . 1.0 . . . . . . . . . . . . A . 4 GLY H . . . . . . . . . rr_1jdk 1
. 15 . 2867 . 1 1 4 GLY HA2 H -4.606 9.283 -3.891 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA2 . . . . . . . . . rr_1jdk 1
. 15 . 2868 . 1 1 4 GLY HA3 H -5.846 8.047 -3.654 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA3 . . . . . . . . . rr_1jdk 1
. 15 . 2869 . 1 1 4 GLY N N -4.618 7.741 -5.373 . . . 1.0 . . . . . . . . . . . . A . 4 GLY N . . . . . . . . . rr_1jdk 1
. 15 . 2870 . 1 1 4 GLY O O -2.761 7.975 -2.725 . . . 1.0 . . . . . . . . . . . . A . 4 GLY O . . . . . . . . . rr_1jdk 1
. 15 . 2871 . 1 1 5 GLU C C -3.748 3.896 -2.125 . . . 1.0 . . . . . . . . . . . . A . 5 GLU C . . . . . . . . . rr_1jdk 1
. 15 . 2872 . 1 1 5 GLU CA C -3.359 5.360 -1.778 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CA . . . . . . . . . rr_1jdk 1
. 15 . 2873 . 1 1 5 GLU CB C -3.494 5.693 -0.260 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CB . . . . . . . . . rr_1jdk 1
. 15 . 2874 . 1 1 5 GLU CD C -2.112 3.678 0.737 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CD . . . . . . . . . rr_1jdk 1
. 15 . 2875 . 1 1 5 GLU CG C -2.345 5.206 0.663 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CG . . . . . . . . . rr_1jdk 1
. 15 . 2876 . 1 1 5 GLU H H -5.122 5.918 -2.983 . . . 1.0 . . . . . . . . . . . . A . 5 GLU H . . . . . . . . . rr_1jdk 1
. 15 . 2877 . 1 1 5 GLU HA H -2.295 5.522 -2.052 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HA . . . . . . . . . rr_1jdk 1
. 15 . 2878 . 1 1 5 GLU HB2 H -3.546 6.792 -0.138 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB2 . . . . . . . . . rr_1jdk 1
. 15 . 2879 . 1 1 5 GLU HB3 H -4.465 5.330 0.129 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB3 . . . . . . . . . rr_1jdk 1
. 15 . 2880 . 1 1 5 GLU HG2 H -1.415 5.743 0.393 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG2 . . . . . . . . . rr_1jdk 1
. 15 . 2881 . 1 1 5 GLU HG3 H -2.568 5.559 1.689 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG3 . . . . . . . . . rr_1jdk 1
. 15 . 2882 . 1 1 5 GLU N N -4.207 6.226 -2.637 . . . 1.0 . . . . . . . . . . . . A . 5 GLU N . . . . . . . . . rr_1jdk 1
. 15 . 2883 . 1 1 5 GLU O O -4.722 3.358 -1.585 . . . 1.0 . . . . . . . . . . . . A . 5 GLU O . . . . . . . . . rr_1jdk 1
. 15 . 2884 . 1 1 5 GLU OE1 O -2.930 2.966 1.324 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE1 . . . . . . . . . rr_1jdk 1
. 15 . 2885 . 1 1 6 SER C C -1.911 1.185 -3.963 . . . 1.0 . . . . . . . . . . . . A . 6 SER C . . . . . . . . . rr_1jdk 1
. 15 . 2886 . 1 1 6 SER CA C -3.236 1.853 -3.462 . . . 1.0 . . . . . . . . . . . . A . 6 SER CA . . . . . . . . . rr_1jdk 1
. 15 . 2887 . 1 1 6 SER CB C -4.410 1.748 -4.473 . . . 1.0 . . . . . . . . . . . . A . 6 SER CB . . . . . . . . . rr_1jdk 1
. 15 . 2888 . 1 1 6 SER H H -2.206 3.809 -3.411 . . . 1.0 . . . . . . . . . . . . A . 6 SER H . . . . . . . . . rr_1jdk 1
. 15 . 2889 . 1 1 6 SER HA H -3.550 1.318 -2.540 . . . 1.0 . . . . . . . . . . . . A . 6 SER HA . . . . . . . . . rr_1jdk 1
. 15 . 2890 . 1 1 6 SER HB2 H -4.662 0.688 -4.664 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB2 . . . . . . . . . rr_1jdk 1
. 15 . 2891 . 1 1 6 SER HB3 H -5.333 2.190 -4.051 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB3 . . . . . . . . . rr_1jdk 1
. 15 . 2892 . 1 1 6 SER HG H -3.818 3.272 -5.503 . . . 1.0 . . . . . . . . . . . . A . 6 SER HG . . . . . . . . . rr_1jdk 1
. 15 . 2893 . 1 1 6 SER N N -2.994 3.264 -3.044 . . . 1.0 . . . . . . . . . . . . A . 6 SER N . . . . . . . . . rr_1jdk 1
. 15 . 2894 . 1 1 6 SER O O -0.911 1.869 -4.219 . . . 1.0 . . . . . . . . . . . . A . 6 SER O . . . . . . . . . rr_1jdk 1
. 15 . 2895 . 1 1 6 SER OG O -4.114 2.380 -5.712 . . . 1.0 . . . . . . . . . . . . A . 6 SER OG . . . . . . . . . rr_1jdk 1
. 15 . 2896 . 1 1 7 GLY C C -0.257 -1.853 -3.405 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . rr_1jdk 1
. 15 . 2897 . 1 1 7 GLY CA C -0.702 -0.913 -4.545 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . rr_1jdk 1
. 15 . 2898 . 1 1 7 GLY H H -2.812 -0.635 -4.107 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . rr_1jdk 1
. 15 . 2899 . 1 1 7 GLY HA2 H -0.937 -1.461 -5.477 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . rr_1jdk 1
. 15 . 2900 . 1 1 7 GLY HA3 H 0.142 -0.248 -4.816 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . rr_1jdk 1
. 15 . 2901 . 1 1 7 GLY N N -1.903 -0.160 -4.113 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . rr_1jdk 1
. 15 . 2902 . 1 1 7 GLY O O 0.171 -1.367 -2.353 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . rr_1jdk 1
. 15 . 2903 . 1 1 8 LYS C C 1.495 -4.072 -2.013 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . rr_1jdk 1
. 15 . 2904 . 1 1 8 LYS CA C 0.047 -4.206 -2.590 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . rr_1jdk 1
. 15 . 2905 . 1 1 8 LYS CB C -0.255 -5.617 -3.174 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . rr_1jdk 1
. 15 . 2906 . 1 1 8 LYS CD C -0.450 -8.178 -2.748 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . rr_1jdk 1
. 15 . 2907 . 1 1 8 LYS CE C 0.689 -8.720 -3.634 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . rr_1jdk 1
. 15 . 2908 . 1 1 8 LYS CG C -0.181 -6.780 -2.154 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . rr_1jdk 1
. 15 . 2909 . 1 1 8 LYS H H -0.752 -3.475 -4.507 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . rr_1jdk 1
. 15 . 2910 . 1 1 8 LYS HA H -0.647 -4.063 -1.737 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . rr_1jdk 1
. 15 . 2911 . 1 1 8 LYS HB2 H -1.269 -5.628 -3.620 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . rr_1jdk 1
. 15 . 2912 . 1 1 8 LYS HB3 H 0.432 -5.817 -4.018 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . rr_1jdk 1
. 15 . 2913 . 1 1 8 LYS HD2 H -0.619 -8.879 -1.908 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . rr_1jdk 1
. 15 . 2914 . 1 1 8 LYS HD3 H -1.404 -8.165 -3.311 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . rr_1jdk 1
. 15 . 2915 . 1 1 8 LYS HE2 H 0.861 -8.057 -4.502 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . rr_1jdk 1
. 15 . 2916 . 1 1 8 LYS HE3 H 1.640 -8.742 -3.068 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . rr_1jdk 1
. 15 . 2917 . 1 1 8 LYS HG2 H 0.802 -6.785 -1.644 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . rr_1jdk 1
. 15 . 2918 . 1 1 8 LYS HG3 H -0.919 -6.592 -1.351 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . rr_1jdk 1
. 15 . 2919 . 1 1 8 LYS HZ1 H 1.166 -10.446 -4.672 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . rr_1jdk 1
. 15 . 2920 . 1 1 8 LYS HZ2 H 0.271 -10.723 -3.331 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . rr_1jdk 1
. 15 . 2921 . 1 1 8 LYS N N -0.337 -3.186 -3.613 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . rr_1jdk 1
. 15 . 2922 . 1 1 8 LYS NZ N 0.382 -10.077 -4.122 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . rr_1jdk 1
. 15 . 2923 . 1 1 8 LYS O O 1.649 -3.969 -0.793 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . rr_1jdk 1
. 15 . 2924 . 1 1 9 LEU C C 4.286 -2.429 -2.159 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . rr_1jdk 1
. 15 . 2925 . 1 1 9 LEU CA C 3.952 -3.927 -2.441 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . rr_1jdk 1
. 15 . 2926 . 1 1 9 LEU CB C 4.953 -4.571 -3.452 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . rr_1jdk 1
. 15 . 2927 . 1 1 9 LEU CD1 C 5.707 -6.432 -5.019 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . rr_1jdk 1
. 15 . 2928 . 1 1 9 LEU CD2 C 4.556 -7.060 -2.861 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . rr_1jdk 1
. 15 . 2929 . 1 1 9 LEU CG C 4.657 -6.000 -3.978 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . rr_1jdk 1
. 15 . 2930 . 1 1 9 LEU H H 2.265 -4.160 -3.862 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . rr_1jdk 1
. 15 . 2931 . 1 1 9 LEU HA H 4.084 -4.476 -1.488 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . rr_1jdk 1
. 15 . 2932 . 1 1 9 LEU HB2 H 5.040 -3.909 -4.336 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . rr_1jdk 1
. 15 . 2933 . 1 1 9 LEU HB3 H 5.964 -4.555 -2.998 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . rr_1jdk 1
. 15 . 2934 . 1 1 9 LEU HD11 H 5.760 -5.721 -5.865 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . rr_1jdk 1
. 15 . 2935 . 1 1 9 LEU HD12 H 6.721 -6.500 -4.585 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . rr_1jdk 1
. 15 . 2936 . 1 1 9 LEU HD13 H 5.468 -7.421 -5.454 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . rr_1jdk 1
. 15 . 2937 . 1 1 9 LEU HD21 H 5.495 -7.144 -2.282 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . rr_1jdk 1
. 15 . 2938 . 1 1 9 LEU HD22 H 3.748 -6.824 -2.145 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . rr_1jdk 1
. 15 . 2939 . 1 1 9 LEU HD23 H 4.329 -8.063 -3.268 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . rr_1jdk 1
. 15 . 2940 . 1 1 9 LEU HG H 3.684 -5.942 -4.498 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . rr_1jdk 1
. 15 . 2941 . 1 1 9 LEU N N 2.530 -4.072 -2.874 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . rr_1jdk 1
. 15 . 2942 . 1 1 9 LEU O O 4.630 -2.078 -1.028 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . rr_1jdk 1
. 15 . 2943 . 1 1 10 ILE C C 3.069 0.658 -2.997 . . . 1.0 . . . . . . . . . . . . A . 10 ILE C . . . . . . . . . rr_1jdk 1
. 15 . 2944 . 1 1 10 ILE CA C 4.431 -0.109 -3.096 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CA . . . . . . . . . rr_1jdk 1
. 15 . 2945 . 1 1 10 ILE CB C 5.431 0.403 -4.207 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CB . . . . . . . . . rr_1jdk 1
. 15 . 2946 . 1 1 10 ILE CD1 C 4.032 0.486 -6.444 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CD1 . . . . . . . . . rr_1jdk 1
. 15 . 2947 . 1 1 10 ILE CG1 C 5.249 -0.060 -5.688 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CG1 . . . . . . . . . rr_1jdk 1
. 15 . 2948 . 1 1 10 ILE CG2 C 6.895 0.092 -3.796 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CG2 . . . . . . . . . rr_1jdk 1
. 15 . 2949 . 1 1 10 ILE H H 3.909 -2.047 -4.065 . . . 1.0 . . . . . . . . . . . . A . 10 ILE H . . . . . . . . . rr_1jdk 1
. 15 . 2950 . 1 1 10 ILE HA H 4.956 0.091 -2.139 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HA . . . . . . . . . rr_1jdk 1
. 15 . 2951 . 1 1 10 ILE HB H 5.366 1.506 -4.216 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HB . . . . . . . . . rr_1jdk 1
. 15 . 2952 . 1 1 10 ILE HD11 H 4.132 0.318 -7.532 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD11 . . . . . . . . . rr_1jdk 1
. 15 . 2953 . 1 1 10 ILE HD12 H 3.097 -0.012 -6.134 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD12 . . . . . . . . . rr_1jdk 1
. 15 . 2954 . 1 1 10 ILE HD13 H 3.907 1.575 -6.293 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD13 . . . . . . . . . rr_1jdk 1
. 15 . 2955 . 1 1 10 ILE HG12 H 6.133 0.255 -6.275 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG12 . . . . . . . . . rr_1jdk 1
. 15 . 2956 . 1 1 10 ILE HG13 H 5.254 -1.165 -5.753 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG13 . . . . . . . . . rr_1jdk 1
. 15 . 2957 . 1 1 10 ILE HG21 H 7.096 -0.996 -3.767 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG21 . . . . . . . . . rr_1jdk 1
. 15 . 2958 . 1 1 10 ILE HG22 H 7.629 0.539 -4.494 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG22 . . . . . . . . . rr_1jdk 1
. 15 . 2959 . 1 1 10 ILE HG23 H 7.140 0.495 -2.796 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG23 . . . . . . . . . rr_1jdk 1
. 15 . 2960 . 1 1 10 ILE N N 4.165 -1.571 -3.192 . . . 1.0 . . . . . . . . . . . . A . 10 ILE N . . . . . . . . . rr_1jdk 1
. 15 . 2961 . 1 1 10 ILE O O 2.365 0.862 -3.988 . . . 1.0 . . . . . . . . . . . . A . 10 ILE O . . . . . . . . . rr_1jdk 1
. 15 . 2962 . 1 1 11 . C C 1.771 3.347 -1.550 . . . 1.0 . . . . . . . . . . . . A . 11 DAB C . . . . . . . . . rr_1jdk 1
. 15 . 2963 . 1 1 11 . CA C 1.436 1.828 -1.502 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CA . . . . . . . . . rr_1jdk 1
. 15 . 2964 . 1 1 11 . CB C 0.778 1.383 -0.162 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CB . . . . . . . . . rr_1jdk 1
. 15 . 2965 . 1 1 11 . CG C -0.719 1.744 0.043 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CG . . . . . . . . . rr_1jdk 1
. 15 . 2966 . 1 1 11 . H H 3.405 0.912 -1.056 . . . 1.0 . . . . . . . . . . . . A . 11 DAB H . . . . . . . . . rr_1jdk 1
. 15 . 2967 . 1 1 11 . HA H 0.695 1.578 -2.287 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HA . . . . . . . . . rr_1jdk 1
. 15 . 2968 . 1 1 11 . HB2 H 0.838 0.280 -0.092 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HB2 . . . . . . . . . rr_1jdk 1
. 15 . 2969 . 1 1 11 . HB3 H 1.372 1.743 0.701 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HB3 . . . . . . . . . rr_1jdk 1
. 15 . 2970 . 1 1 11 . HD2 H -0.419 3.904 -0.314 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HD2 . . . . . . . . . rr_1jdk 1
. 15 . 2971 . 1 1 11 . HG2 H -1.316 1.312 -0.783 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HG2 . . . . . . . . . rr_1jdk 1
. 15 . 2972 . 1 1 11 . HG3 H -1.070 1.223 0.955 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HG3 . . . . . . . . . rr_1jdk 1
. 15 . 2973 . 1 1 11 . N N 2.695 1.074 -1.768 . . . 1.0 . . . . . . . . . . . . A . 11 DAB N . . . . . . . . . rr_1jdk 1
. 15 . 2974 . 1 1 11 . ND N -1.008 3.196 0.139 . . . 1.0 . . . . . . . . . . . . A . 11 DAB ND . . . . . . . . . rr_1jdk 1
. 15 . 2975 . 1 1 11 . O O 2.180 3.955 -0.555 . . . 1.0 . . . . . . . . . . . . A . 11 DAB O . . . . . . . . . rr_1jdk 1
. 15 . 2976 . 1 1 12 THR C C 0.552 6.002 -3.586 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_1jdk 1
. 15 . 2977 . 1 1 12 THR CA C 1.854 5.368 -3.010 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_1jdk 1
. 15 . 2978 . 1 1 12 THR CB C 3.151 5.540 -3.867 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_1jdk 1
. 15 . 2979 . 1 1 12 THR CG2 C 3.545 7.004 -4.126 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_1jdk 1
. 15 . 2980 . 1 1 12 THR H H 1.356 3.247 -3.471 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_1jdk 1
. 15 . 2981 . 1 1 12 THR HA H 2.045 5.897 -2.054 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_1jdk 1
. 15 . 2982 . 1 1 12 THR HB H 3.015 5.040 -4.844 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_1jdk 1
. 15 . 2983 . 1 1 12 THR HG1 H 4.350 5.370 -2.367 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG1 . . . . . . . . . rr_1jdk 1
. 15 . 2984 . 1 1 12 THR HG21 H 4.481 7.070 -4.709 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_1jdk 1
. 15 . 2985 . 1 1 12 THR HG22 H 2.770 7.542 -4.703 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_1jdk 1
. 15 . 2986 . 1 1 12 THR HG23 H 3.704 7.562 -3.185 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_1jdk 1
. 15 . 2987 . 1 1 12 THR N N 1.587 3.927 -2.741 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_1jdk 1
. 15 . 2988 . 1 1 12 THR O O -0.120 6.741 -2.862 . . . 1.0 . . . . . . . . . . . . A . 12 THR O . . . . . . . . . rr_1jdk 1
. 15 . 2989 . 1 1 12 THR OG1 O 4.259 4.927 -3.214 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_1jdk 1
. 15 . 2990 . 1 1 13 THR C C -1.771 5.124 -6.275 . . . 1.0 . . . . . . . . . . . . A . 13 THR C . . . . . . . . . rr_1jdk 1
. 15 . 2991 . 1 1 13 THR CA C -1.015 6.263 -5.528 . . . 1.0 . . . . . . . . . . . . A . 13 THR CA . . . . . . . . . rr_1jdk 1
. 15 . 2992 . 1 1 13 THR CB C -0.749 7.514 -6.427 . . . 1.0 . . . . . . . . . . . . A . 13 THR CB . . . . . . . . . rr_1jdk 1
. 15 . 2993 . 1 1 13 THR CG2 C -0.389 8.790 -5.649 . . . 1.0 . . . . . . . . . . . . A . 13 THR CG2 . . . . . . . . . rr_1jdk 1
. 15 . 2994 . 1 1 13 THR H H 0.863 5.108 -5.351 . . . 1.0 . . . . . . . . . . . . A . 13 THR H . . . . . . . . . rr_1jdk 1
. 15 . 2995 . 1 1 13 THR HA H -1.725 6.598 -4.748 . . . 1.0 . . . . . . . . . . . . A . 13 THR HA . . . . . . . . . rr_1jdk 1
. 15 . 2996 . 1 1 13 THR HB H -1.676 7.743 -6.985 . . . 1.0 . . . . . . . . . . . . A . 13 THR HB . . . . . . . . . rr_1jdk 1
. 15 . 2997 . 1 1 13 THR HG1 H 0.428 8.090 -7.837 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG1 . . . . . . . . . rr_1jdk 1
. 15 . 2998 . 1 1 13 THR HG21 H -1.172 9.053 -4.915 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG21 . . . . . . . . . rr_1jdk 1
. 15 . 2999 . 1 1 13 THR HG22 H 0.560 8.680 -5.092 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG22 . . . . . . . . . rr_1jdk 1
. 15 . 3000 . 1 1 13 THR HG23 H -0.273 9.656 -6.325 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG23 . . . . . . . . . rr_1jdk 1
. 15 . 3001 . 1 1 13 THR N N 0.207 5.725 -4.860 . . . 1.0 . . . . . . . . . . . . A . 13 THR N . . . . . . . . . rr_1jdk 1
. 15 . 3002 . 1 1 13 THR O O -2.927 4.857 -5.934 . . . 1.0 . . . . . . . . . . . . A . 13 THR O . . . . . . . . . rr_1jdk 1
. 15 . 3003 . 1 1 13 THR OG1 O 0.281 7.259 -7.378 . . . 1.0 . . . . . . . . . . . . A . 13 THR OG1 . . . . . . . . . rr_1jdk 1
. 15 . 3004 . 1 1 14 ALA C C -1.267 1.972 -7.597 . . . 1.0 . . . . . . . . . . . . A . 14 ALA C . . . . . . . . . rr_1jdk 1
. 15 . 3005 . 1 1 14 ALA CA C -1.747 3.370 -8.058 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CA . . . . . . . . . rr_1jdk 1
. 15 . 3006 . 1 1 14 ALA CB C -1.458 3.601 -9.551 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CB . . . . . . . . . rr_1jdk 1
. 15 . 3007 . 1 1 14 ALA H H -0.216 4.862 -7.507 . . . 1.0 . . . . . . . . . . . . A . 14 ALA H . . . . . . . . . rr_1jdk 1
. 15 . 3008 . 1 1 14 ALA HXT H 0.533 2.706 -7.684 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HXT . . . . . . . . . rr_1jdk 1
. 15 . 3009 . 1 1 14 ALA HA H -2.846 3.387 -7.943 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HA . . . . . . . . . rr_1jdk 1
. 15 . 3010 . 1 1 14 ALA HB1 H -1.931 2.822 -10.180 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB1 . . . . . . . . . rr_1jdk 1
. 15 . 3011 . 1 1 14 ALA HB2 H -1.863 4.571 -9.899 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB2 . . . . . . . . . rr_1jdk 1
. 15 . 3012 . 1 1 14 ALA HB3 H -0.376 3.593 -9.781 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB3 . . . . . . . . . rr_1jdk 1
. 15 . 3013 . 1 1 14 ALA N N -1.137 4.476 -7.276 . . . 1.0 . . . . . . . . . . . . A . 14 ALA N . . . . . . . . . rr_1jdk 1
. 15 . 3014 . 1 1 14 ALA O O -2.039 1.040 -7.383 . . . 1.0 . . . . . . . . . . . . A . 14 ALA O . . . . . . . . . rr_1jdk 1
. 15 . 3015 . 1 1 14 ALA OXT O 0.100 1.875 -7.476 . . . 1.0 . . . . . . . . . . . . A . 14 ALA OXT . . . . . . . . . rr_1jdk 1
. 16 . 3016 . 1 1 1 ACE C C -0.722 6.414 -10.844 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . rr_1jdk 1
. 16 . 3017 . 1 1 1 ACE CH3 C 0.297 5.615 -11.650 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . rr_1jdk 1
. 16 . 3018 . 1 1 1 ACE H1 H 0.109 4.529 -11.568 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . rr_1jdk 1
. 16 . 3019 . 1 1 1 ACE H2 H 0.250 5.879 -12.722 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . rr_1jdk 1
. 16 . 3020 . 1 1 1 ACE H3 H 1.332 5.809 -11.310 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . rr_1jdk 1
. 16 . 3021 . 1 1 1 ACE O O -1.559 7.121 -11.412 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . rr_1jdk 1
. 16 . 3022 . 1 1 2 ILE C C -0.684 7.333 -7.295 . . . 1.0 . . . . . . . . . . . . A . 2 ILE C . . . . . . . . . rr_1jdk 1
. 16 . 3023 . 1 1 2 ILE CA C -1.537 6.971 -8.557 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CA . . . . . . . . . rr_1jdk 1
. 16 . 3024 . 1 1 2 ILE CB C -2.869 6.163 -8.303 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CB . . . . . . . . . rr_1jdk 1
. 16 . 3025 . 1 1 2 ILE CD1 C -4.722 7.860 -8.928 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CD1 . . . . . . . . . rr_1jdk 1
. 16 . 3026 . 1 1 2 ILE CG1 C -4.041 7.056 -7.808 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG1 . . . . . . . . . rr_1jdk 1
. 16 . 3027 . 1 1 2 ILE CG2 C -2.753 4.911 -7.396 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG2 . . . . . . . . . rr_1jdk 1
. 16 . 3028 . 1 1 2 ILE H H 0.171 5.725 -9.208 . . . 1.0 . . . . . . . . . . . . A . 2 ILE H . . . . . . . . . rr_1jdk 1
. 16 . 3029 . 1 1 2 ILE HA H -1.842 7.925 -9.035 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HA . . . . . . . . . rr_1jdk 1
. 16 . 3030 . 1 1 2 ILE HB H -3.191 5.757 -9.283 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HB . . . . . . . . . rr_1jdk 1
. 16 . 3031 . 1 1 2 ILE HD11 H -5.133 7.191 -9.710 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD11 . . . . . . . . . rr_1jdk 1
. 16 . 3032 . 1 1 2 ILE HD12 H -5.567 8.454 -8.537 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD12 . . . . . . . . . rr_1jdk 1
. 16 . 3033 . 1 1 2 ILE HD13 H -4.026 8.558 -9.427 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD13 . . . . . . . . . rr_1jdk 1
. 16 . 3034 . 1 1 2 ILE HG12 H -4.830 6.439 -7.336 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG12 . . . . . . . . . rr_1jdk 1
. 16 . 3035 . 1 1 2 ILE HG13 H -3.698 7.737 -7.005 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG13 . . . . . . . . . rr_1jdk 1
. 16 . 3036 . 1 1 2 ILE HG21 H -1.936 4.244 -7.722 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG21 . . . . . . . . . rr_1jdk 1
. 16 . 3037 . 1 1 2 ILE HG22 H -2.567 5.174 -6.337 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG22 . . . . . . . . . rr_1jdk 1
. 16 . 3038 . 1 1 2 ILE HG23 H -3.681 4.307 -7.409 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG23 . . . . . . . . . rr_1jdk 1
. 16 . 3039 . 1 1 2 ILE N N -0.637 6.271 -9.515 . . . 1.0 . . . . . . . . . . . . A . 2 ILE N . . . . . . . . . rr_1jdk 1
. 16 . 3040 . 1 1 2 ILE O O -0.331 6.453 -6.502 . . . 1.0 . . . . . . . . . . . . A . 2 ILE O . . . . . . . . . rr_1jdk 1
. 16 . 3041 . 1 1 3 TRP C C -0.500 9.565 -4.841 . . . 1.0 . . . . . . . . . . . . A . 3 TRP C . . . . . . . . . rr_1jdk 1
. 16 . 3042 . 1 1 3 TRP CA C 0.481 9.093 -5.955 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CA . . . . . . . . . rr_1jdk 1
. 16 . 3043 . 1 1 3 TRP CB C 1.522 10.171 -6.374 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CB . . . . . . . . . rr_1jdk 1
. 16 . 3044 . 1 1 3 TRP CD1 C 4.002 9.346 -6.532 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD1 . . . . . . . . . rr_1jdk 1
. 16 . 3045 . 1 1 3 TRP CD2 C 2.871 9.225 -8.442 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD2 . . . . . . . . . rr_1jdk 1
. 16 . 3046 . 1 1 3 TRP CE2 C 4.183 8.722 -8.633 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE2 . . . . . . . . . rr_1jdk 1
. 16 . 3047 . 1 1 3 TRP CE3 C 1.937 9.213 -9.509 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE3 . . . . . . . . . rr_1jdk 1
. 16 . 3048 . 1 1 3 TRP CG C 2.748 9.614 -7.118 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CG . . . . . . . . . rr_1jdk 1
. 16 . 3049 . 1 1 3 TRP CH2 C 3.635 8.199 -10.930 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CH2 . . . . . . . . . rr_1jdk 1
. 16 . 3050 . 1 1 3 TRP CZ2 C 4.568 8.200 -9.892 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ2 . . . . . . . . . rr_1jdk 1
. 16 . 3051 . 1 1 3 TRP CZ3 C 2.340 8.698 -10.741 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ3 . . . . . . . . . rr_1jdk 1
. 16 . 3052 . 1 1 3 TRP H H -0.550 9.250 -7.902 . . . 1.0 . . . . . . . . . . . . A . 3 TRP H . . . . . . . . . rr_1jdk 1
. 16 . 3053 . 1 1 3 TRP HA H 1.083 8.253 -5.547 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HA . . . . . . . . . rr_1jdk 1
. 16 . 3054 . 1 1 3 TRP HB2 H 1.049 10.975 -6.969 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB2 . . . . . . . . . rr_1jdk 1
. 16 . 3055 . 1 1 3 TRP HB3 H 1.888 10.693 -5.467 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB3 . . . . . . . . . rr_1jdk 1
. 16 . 3056 . 1 1 3 TRP HD1 H 4.238 9.534 -5.495 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HD1 . . . . . . . . . rr_1jdk 1
. 16 . 3057 . 1 1 3 TRP HE1 H 5.872 8.483 -7.290 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE1 . . . . . . . . . rr_1jdk 1
. 16 . 3058 . 1 1 3 TRP HE3 H 0.927 9.566 -9.359 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE3 . . . . . . . . . rr_1jdk 1
. 16 . 3059 . 1 1 3 TRP HH2 H 3.913 7.796 -11.893 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HH2 . . . . . . . . . rr_1jdk 1
. 16 . 3060 . 1 1 3 TRP HZ2 H 5.559 7.798 -10.044 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ2 . . . . . . . . . rr_1jdk 1
. 16 . 3061 . 1 1 3 TRP HZ3 H 1.635 8.671 -11.560 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ3 . . . . . . . . . rr_1jdk 1
. 16 . 3062 . 1 1 3 TRP N N -0.327 8.624 -7.121 . . . 1.0 . . . . . . . . . . . . A . 3 TRP N . . . . . . . . . rr_1jdk 1
. 16 . 3063 . 1 1 3 TRP NE1 N 4.907 8.789 -7.454 . . . 1.0 . . . . . . . . . . . . A . 3 TRP NE1 . . . . . . . . . rr_1jdk 1
. 16 . 3064 . 1 1 3 TRP O O -0.835 10.747 -4.712 . . . 1.0 . . . . . . . . . . . . A . 3 TRP O . . . . . . . . . rr_1jdk 1
. 16 . 3065 . 1 1 4 GLY C C -2.064 7.492 -2.136 . . . 1.0 . . . . . . . . . . . . A . 4 GLY C . . . . . . . . . rr_1jdk 1
. 16 . 3066 . 1 1 4 GLY CA C -1.906 8.791 -2.945 . . . 1.0 . . . . . . . . . . . . A . 4 GLY CA . . . . . . . . . rr_1jdk 1
. 16 . 3067 . 1 1 4 GLY H H -0.636 7.651 -4.348 . . . 1.0 . . . . . . . . . . . . A . 4 GLY H . . . . . . . . . rr_1jdk 1
. 16 . 3068 . 1 1 4 GLY HA2 H -1.548 9.601 -2.279 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA2 . . . . . . . . . rr_1jdk 1
. 16 . 3069 . 1 1 4 GLY HA3 H -2.886 9.127 -3.336 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA3 . . . . . . . . . rr_1jdk 1
. 16 . 3070 . 1 1 4 GLY N N -0.953 8.582 -4.054 . . . 1.0 . . . . . . . . . . . . A . 4 GLY N . . . . . . . . . rr_1jdk 1
. 16 . 3071 . 1 1 4 GLY O O -1.593 7.420 -0.999 . . . 1.0 . . . . . . . . . . . . A . 4 GLY O . . . . . . . . . rr_1jdk 1
. 16 . 3072 . 1 1 5 GLU C C -3.275 4.091 -3.149 . . . 1.0 . . . . . . . . . . . . A . 5 GLU C . . . . . . . . . rr_1jdk 1
. 16 . 3073 . 1 1 5 GLU CA C -2.953 5.165 -2.060 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CA . . . . . . . . . rr_1jdk 1
. 16 . 3074 . 1 1 5 GLU CB C -4.035 5.194 -0.926 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CB . . . . . . . . . rr_1jdk 1
. 16 . 3075 . 1 1 5 GLU CD C -3.082 3.225 0.489 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CD . . . . . . . . . rr_1jdk 1
. 16 . 3076 . 1 1 5 GLU CG C -3.568 4.689 0.465 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CG . . . . . . . . . rr_1jdk 1
. 16 . 3077 . 1 1 5 GLU H H -3.097 6.682 -3.659 . . . 1.0 . . . . . . . . . . . . A . 5 GLU H . . . . . . . . . rr_1jdk 1
. 16 . 3078 . 1 1 5 GLU HA H -1.978 4.909 -1.600 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HA . . . . . . . . . rr_1jdk 1
. 16 . 3079 . 1 1 5 GLU HB2 H -4.418 6.223 -0.784 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB2 . . . . . . . . . rr_1jdk 1
. 16 . 3080 . 1 1 5 GLU HB3 H -4.938 4.627 -1.225 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB3 . . . . . . . . . rr_1jdk 1
. 16 . 3081 . 1 1 5 GLU HG2 H -2.805 5.377 0.879 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG2 . . . . . . . . . rr_1jdk 1
. 16 . 3082 . 1 1 5 GLU HG3 H -4.414 4.784 1.176 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG3 . . . . . . . . . rr_1jdk 1
. 16 . 3083 . 1 1 5 GLU N N -2.751 6.485 -2.714 . . . 1.0 . . . . . . . . . . . . A . 5 GLU N . . . . . . . . . rr_1jdk 1
. 16 . 3084 . 1 1 5 GLU O O -4.173 4.289 -3.975 . . . 1.0 . . . . . . . . . . . . A . 5 GLU O . . . . . . . . . rr_1jdk 1
. 16 . 3085 . 1 1 5 GLU OE1 O -3.904 2.307 0.536 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE1 . . . . . . . . . rr_1jdk 1
. 16 . 3086 . 1 1 6 SER C C -2.937 0.508 -3.291 . . . 1.0 . . . . . . . . . . . . A . 6 SER C . . . . . . . . . rr_1jdk 1
. 16 . 3087 . 1 1 6 SER CA C -2.748 1.833 -4.104 . . . 1.0 . . . . . . . . . . . . A . 6 SER CA . . . . . . . . . rr_1jdk 1
. 16 . 3088 . 1 1 6 SER CB C -1.657 1.870 -5.217 . . . 1.0 . . . . . . . . . . . . A . 6 SER CB . . . . . . . . . rr_1jdk 1
. 16 . 3089 . 1 1 6 SER H H -1.875 2.880 -2.361 . . . 1.0 . . . . . . . . . . . . A . 6 SER H . . . . . . . . . rr_1jdk 1
. 16 . 3090 . 1 1 6 SER HA H -3.712 1.964 -4.632 . . . 1.0 . . . . . . . . . . . . A . 6 SER HA . . . . . . . . . rr_1jdk 1
. 16 . 3091 . 1 1 6 SER HB2 H -1.834 1.072 -5.967 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB2 . . . . . . . . . rr_1jdk 1
. 16 . 3092 . 1 1 6 SER HB3 H -1.713 2.809 -5.800 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB3 . . . . . . . . . rr_1jdk 1
. 16 . 3093 . 1 1 6 SER HG H -0.201 2.487 -4.109 . . . 1.0 . . . . . . . . . . . . A . 6 SER HG . . . . . . . . . rr_1jdk 1
. 16 . 3094 . 1 1 6 SER N N -2.545 2.955 -3.138 . . . 1.0 . . . . . . . . . . . . A . 6 SER N . . . . . . . . . rr_1jdk 1
. 16 . 3095 . 1 1 6 SER O O -3.791 0.471 -2.397 . . . 1.0 . . . . . . . . . . . . A . 6 SER O . . . . . . . . . rr_1jdk 1
. 16 . 3096 . 1 1 6 SER OG O -0.343 1.728 -4.682 . . . 1.0 . . . . . . . . . . . . A . 6 SER OG . . . . . . . . . rr_1jdk 1
. 16 . 3097 . 1 1 7 GLY C C -1.642 -3.059 -3.529 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . rr_1jdk 1
. 16 . 3098 . 1 1 7 GLY CA C -2.331 -1.858 -2.853 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . rr_1jdk 1
. 16 . 3099 . 1 1 7 GLY H H -1.527 -0.442 -4.356 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . rr_1jdk 1
. 16 . 3100 . 1 1 7 GLY HA2 H -1.934 -1.733 -1.826 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . rr_1jdk 1
. 16 . 3101 . 1 1 7 GLY HA3 H -3.402 -2.105 -2.716 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . rr_1jdk 1
. 16 . 3102 . 1 1 7 GLY N N -2.199 -0.578 -3.593 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . rr_1jdk 1
. 16 . 3103 . 1 1 7 GLY O O -2.325 -3.958 -4.025 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . rr_1jdk 1
. 16 . 3104 . 1 1 8 LYS C C 1.775 -4.318 -3.200 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . rr_1jdk 1
. 16 . 3105 . 1 1 8 LYS CA C 0.526 -4.162 -4.122 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . rr_1jdk 1
. 16 . 3106 . 1 1 8 LYS CB C 0.865 -3.940 -5.630 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . rr_1jdk 1
. 16 . 3107 . 1 1 8 LYS CD C 0.113 -3.923 -8.088 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . rr_1jdk 1
. 16 . 3108 . 1 1 8 LYS CE C -1.071 -4.051 -9.062 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . rr_1jdk 1
. 16 . 3109 . 1 1 8 LYS CG C -0.315 -4.077 -6.616 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . rr_1jdk 1
. 16 . 3110 . 1 1 8 LYS H H 0.133 -2.266 -3.056 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . rr_1jdk 1
. 16 . 3111 . 1 1 8 LYS HA H -0.026 -5.120 -4.048 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . rr_1jdk 1
. 16 . 3112 . 1 1 8 LYS HB2 H 1.341 -2.949 -5.767 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . rr_1jdk 1
. 16 . 3113 . 1 1 8 LYS HB3 H 1.641 -4.673 -5.924 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . rr_1jdk 1
. 16 . 3114 . 1 1 8 LYS HD2 H 0.608 -2.942 -8.226 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . rr_1jdk 1
. 16 . 3115 . 1 1 8 LYS HD3 H 0.879 -4.685 -8.329 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . rr_1jdk 1
. 16 . 3116 . 1 1 8 LYS HE2 H -1.566 -5.034 -8.942 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . rr_1jdk 1
. 16 . 3117 . 1 1 8 LYS HE3 H -1.841 -3.288 -8.838 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . rr_1jdk 1
. 16 . 3118 . 1 1 8 LYS HG2 H -0.807 -5.058 -6.471 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . rr_1jdk 1
. 16 . 3119 . 1 1 8 LYS HG3 H -1.084 -3.318 -6.380 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . rr_1jdk 1
. 16 . 3120 . 1 1 8 LYS HZ1 H -1.431 -3.948 -11.096 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . rr_1jdk 1
. 16 . 3121 . 1 1 8 LYS HZ2 H -0.215 -2.972 -10.603 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . rr_1jdk 1
. 16 . 3122 . 1 1 8 LYS N N -0.299 -3.067 -3.530 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . rr_1jdk 1
. 16 . 3123 . 1 1 8 LYS NZ N -0.627 -3.900 -10.460 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . rr_1jdk 1
. 16 . 3124 . 1 1 8 LYS O O 1.834 -5.261 -2.407 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . rr_1jdk 1
. 16 . 3125 . 1 1 9 LEU C C 4.009 -1.940 -1.871 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . rr_1jdk 1
. 16 . 3126 . 1 1 9 LEU CA C 3.988 -3.377 -2.475 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . rr_1jdk 1
. 16 . 3127 . 1 1 9 LEU CB C 5.221 -3.841 -3.305 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . rr_1jdk 1
. 16 . 3128 . 1 1 9 LEU CD1 C 6.617 -4.979 -1.454 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . rr_1jdk 1
. 16 . 3129 . 1 1 9 LEU CD2 C 7.736 -4.134 -3.549 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . rr_1jdk 1
. 16 . 3130 . 1 1 9 LEU CG C 6.581 -3.900 -2.556 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . rr_1jdk 1
. 16 . 3131 . 1 1 9 LEU H H 2.573 -2.671 -4.009 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . rr_1jdk 1
. 16 . 3132 . 1 1 9 LEU HA H 3.876 -4.078 -1.625 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . rr_1jdk 1
. 16 . 3133 . 1 1 9 LEU HB2 H 5.010 -4.841 -3.736 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . rr_1jdk 1
. 16 . 3134 . 1 1 9 LEU HB3 H 5.323 -3.178 -4.187 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . rr_1jdk 1
. 16 . 3135 . 1 1 9 LEU HD11 H 7.598 -5.010 -0.943 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . rr_1jdk 1
. 16 . 3136 . 1 1 9 LEU HD12 H 5.863 -4.792 -0.669 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . rr_1jdk 1
. 16 . 3137 . 1 1 9 LEU HD13 H 6.426 -5.992 -1.858 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . rr_1jdk 1
. 16 . 3138 . 1 1 9 LEU HD21 H 7.778 -3.341 -4.319 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . rr_1jdk 1
. 16 . 3139 . 1 1 9 LEU HD22 H 8.719 -4.133 -3.042 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . rr_1jdk 1
. 16 . 3140 . 1 1 9 LEU HD23 H 7.641 -5.100 -4.079 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . rr_1jdk 1
. 16 . 3141 . 1 1 9 LEU HG H 6.760 -2.920 -2.076 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . rr_1jdk 1
. 16 . 3142 . 1 1 9 LEU N N 2.757 -3.399 -3.310 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . rr_1jdk 1
. 16 . 3143 . 1 1 9 LEU O O 3.586 -1.768 -0.723 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . rr_1jdk 1
. 16 . 3144 . 1 1 10 ILE C C 3.017 1.080 -2.301 . . . 1.0 . . . . . . . . . . . . A . 10 ILE C . . . . . . . . . rr_1jdk 1
. 16 . 3145 . 1 1 10 ILE CA C 4.468 0.504 -2.171 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CA . . . . . . . . . rr_1jdk 1
. 16 . 3146 . 1 1 10 ILE CB C 5.583 1.416 -2.807 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CB . . . . . . . . . rr_1jdk 1
. 16 . 3147 . 1 1 10 ILE CD1 C 7.172 3.366 -2.139 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CD1 . . . . . . . . . rr_1jdk 1
. 16 . 3148 . 1 1 10 ILE CG1 C 5.827 2.669 -1.912 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CG1 . . . . . . . . . rr_1jdk 1
. 16 . 3149 . 1 1 10 ILE CG2 C 5.363 1.861 -4.284 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CG2 . . . . . . . . . rr_1jdk 1
. 16 . 3150 . 1 1 10 ILE H H 4.939 -1.277 -3.471 . . . 1.0 . . . . . . . . . . . . A . 10 ILE H . . . . . . . . . rr_1jdk 1
. 16 . 3151 . 1 1 10 ILE HA H 4.728 0.451 -1.092 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HA . . . . . . . . . rr_1jdk 1
. 16 . 3152 . 1 1 10 ILE HB H 6.526 0.835 -2.781 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HB . . . . . . . . . rr_1jdk 1
. 16 . 3153 . 1 1 10 ILE HD11 H 7.304 4.200 -1.429 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD11 . . . . . . . . . rr_1jdk 1
. 16 . 3154 . 1 1 10 ILE HD12 H 8.014 2.664 -1.997 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD12 . . . . . . . . . rr_1jdk 1
. 16 . 3155 . 1 1 10 ILE HD13 H 7.248 3.783 -3.159 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD13 . . . . . . . . . rr_1jdk 1
. 16 . 3156 . 1 1 10 ILE HG12 H 5.004 3.398 -2.037 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG12 . . . . . . . . . rr_1jdk 1
. 16 . 3157 . 1 1 10 ILE HG13 H 5.796 2.386 -0.843 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG13 . . . . . . . . . rr_1jdk 1
. 16 . 3158 . 1 1 10 ILE HG21 H 4.517 2.570 -4.384 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG21 . . . . . . . . . rr_1jdk 1
. 16 . 3159 . 1 1 10 ILE HG22 H 6.242 2.396 -4.697 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG22 . . . . . . . . . rr_1jdk 1
. 16 . 3160 . 1 1 10 ILE HG23 H 5.162 1.021 -4.968 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG23 . . . . . . . . . rr_1jdk 1
. 16 . 3161 . 1 1 10 ILE N N 4.461 -0.919 -2.638 . . . 1.0 . . . . . . . . . . . . A . 10 ILE N . . . . . . . . . rr_1jdk 1
. 16 . 3162 . 1 1 10 ILE O O 2.463 1.162 -3.403 . . . 1.0 . . . . . . . . . . . . A . 10 ILE O . . . . . . . . . rr_1jdk 1
. 16 . 3163 . 1 1 11 . C C 0.946 3.533 -1.501 . . . 1.0 . . . . . . . . . . . . A . 11 DAB C . . . . . . . . . rr_1jdk 1
. 16 . 3164 . 1 1 11 . CA C 1.035 2.019 -1.125 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CA . . . . . . . . . rr_1jdk 1
. 16 . 3165 . 1 1 11 . CB C 0.376 1.639 0.240 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CB . . . . . . . . . rr_1jdk 1
. 16 . 3166 . 1 1 11 . CG C -1.170 1.670 0.323 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CG . . . . . . . . . rr_1jdk 1
. 16 . 3167 . 1 1 11 . H H 2.969 1.289 -0.315 . . . 1.0 . . . . . . . . . . . . A . 11 DAB H . . . . . . . . . rr_1jdk 1
. 16 . 3168 . 1 1 11 . HA H 0.443 1.473 -1.889 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HA . . . . . . . . . rr_1jdk 1
. 16 . 3169 . 1 1 11 . HB2 H 0.650 0.591 0.482 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HB2 . . . . . . . . . rr_1jdk 1
. 16 . 3170 . 1 1 11 . HB3 H 0.811 2.228 1.069 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HB3 . . . . . . . . . rr_1jdk 1
. 16 . 3171 . 1 1 11 . HD2 H -1.190 3.882 0.392 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HD2 . . . . . . . . . rr_1jdk 1
. 16 . 3172 . 1 1 11 . HG2 H -1.602 1.134 -0.545 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HG2 . . . . . . . . . rr_1jdk 1
. 16 . 3173 . 1 1 11 . HG3 H -1.484 1.084 1.208 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HG3 . . . . . . . . . rr_1jdk 1
. 16 . 3174 . 1 1 11 . N N 2.420 1.470 -1.162 . . . 1.0 . . . . . . . . . . . . A . 11 DAB N . . . . . . . . . rr_1jdk 1
. 16 . 3175 . 1 1 11 . ND N -1.753 3.026 0.426 . . . 1.0 . . . . . . . . . . . . A . 11 DAB ND . . . . . . . . . rr_1jdk 1
. 16 . 3176 . 1 1 11 . O O 0.231 3.857 -2.453 . . . 1.0 . . . . . . . . . . . . A . 11 DAB O . . . . . . . . . rr_1jdk 1
. 16 . 3177 . 1 1 12 THR C C 2.332 6.428 -2.355 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_1jdk 1
. 16 . 3178 . 1 1 12 THR CA C 1.586 5.913 -1.085 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_1jdk 1
. 16 . 3179 . 1 1 12 THR CB C 1.840 6.727 0.222 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_1jdk 1
. 16 . 3180 . 1 1 12 THR CG2 C 3.251 6.662 0.836 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_1jdk 1
. 16 . 3181 . 1 1 12 THR H H 2.380 4.062 -0.186 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_1jdk 1
. 16 . 3182 . 1 1 12 THR HA H 0.520 6.117 -1.298 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_1jdk 1
. 16 . 3183 . 1 1 12 THR HB H 1.132 6.360 0.991 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_1jdk 1
. 16 . 3184 . 1 1 12 THR HG1 H 1.648 8.543 0.837 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG1 . . . . . . . . . rr_1jdk 1
. 16 . 3185 . 1 1 12 THR HG21 H 4.014 7.113 0.177 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_1jdk 1
. 16 . 3186 . 1 1 12 THR HG22 H 3.294 7.207 1.796 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_1jdk 1
. 16 . 3187 . 1 1 12 THR HG23 H 3.563 5.622 1.043 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_1jdk 1
. 16 . 3188 . 1 1 12 THR N N 1.662 4.446 -0.810 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_1jdk 1
. 16 . 3189 . 1 1 12 THR O O 1.678 7.003 -3.231 . . . 1.0 . . . . . . . . . . . . A . 12 THR O . . . . . . . . . rr_1jdk 1
. 16 . 3190 . 1 1 12 THR OG1 O 1.528 8.098 -0.005 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_1jdk 1
. 16 . 3191 . 1 1 13 THR C C 4.492 5.628 -4.760 . . . 1.0 . . . . . . . . . . . . A . 13 THR C . . . . . . . . . rr_1jdk 1
. 16 . 3192 . 1 1 13 THR CA C 4.451 6.720 -3.645 . . . 1.0 . . . . . . . . . . . . A . 13 THR CA . . . . . . . . . rr_1jdk 1
. 16 . 3193 . 1 1 13 THR CB C 5.846 7.208 -3.135 . . . 1.0 . . . . . . . . . . . . A . 13 THR CB . . . . . . . . . rr_1jdk 1
. 16 . 3194 . 1 1 13 THR CG2 C 6.761 7.819 -4.210 . . . 1.0 . . . . . . . . . . . . A . 13 THR CG2 . . . . . . . . . rr_1jdk 1
. 16 . 3195 . 1 1 13 THR H H 4.089 5.708 -1.703 . . . 1.0 . . . . . . . . . . . . A . 13 THR H . . . . . . . . . rr_1jdk 1
. 16 . 3196 . 1 1 13 THR HA H 3.959 7.618 -4.071 . . . 1.0 . . . . . . . . . . . . A . 13 THR HA . . . . . . . . . rr_1jdk 1
. 16 . 3197 . 1 1 13 THR HB H 6.382 6.354 -2.678 . . . 1.0 . . . . . . . . . . . . A . 13 THR HB . . . . . . . . . rr_1jdk 1
. 16 . 3198 . 1 1 13 THR HG1 H 5.020 7.880 -1.529 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG1 . . . . . . . . . rr_1jdk 1
. 16 . 3199 . 1 1 13 THR HG21 H 6.985 7.108 -5.026 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG21 . . . . . . . . . rr_1jdk 1
. 16 . 3200 . 1 1 13 THR HG22 H 6.315 8.720 -4.667 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG22 . . . . . . . . . rr_1jdk 1
. 16 . 3201 . 1 1 13 THR HG23 H 7.732 8.125 -3.777 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG23 . . . . . . . . . rr_1jdk 1
. 16 . 3202 . 1 1 13 THR N N 3.661 6.233 -2.472 . . . 1.0 . . . . . . . . . . . . A . 13 THR N . . . . . . . . . rr_1jdk 1
. 16 . 3203 . 1 1 13 THR O O 5.505 4.946 -4.940 . . . 1.0 . . . . . . . . . . . . A . 13 THR O . . . . . . . . . rr_1jdk 1
. 16 . 3204 . 1 1 13 THR OG1 O 5.681 8.214 -2.139 . . . 1.0 . . . . . . . . . . . . A . 13 THR OG1 . . . . . . . . . rr_1jdk 1
. 16 . 3205 . 1 1 14 ALA C C 3.210 5.182 -7.985 . . . 1.0 . . . . . . . . . . . . A . 14 ALA C . . . . . . . . . rr_1jdk 1
. 16 . 3206 . 1 1 14 ALA CA C 3.252 4.493 -6.605 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CA . . . . . . . . . rr_1jdk 1
. 16 . 3207 . 1 1 14 ALA CB C 2.010 3.620 -6.337 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CB . . . . . . . . . rr_1jdk 1
. 16 . 3208 . 1 1 14 ALA H H 2.596 6.081 -5.217 . . . 1.0 . . . . . . . . . . . . A . 14 ALA H . . . . . . . . . rr_1jdk 1
. 16 . 3209 . 1 1 14 ALA HXT H 1.586 6.045 -7.350 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HXT . . . . . . . . . rr_1jdk 1
. 16 . 3210 . 1 1 14 ALA HA H 4.121 3.807 -6.616 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HA . . . . . . . . . rr_1jdk 1
. 16 . 3211 . 1 1 14 ALA HB1 H 2.091 3.089 -5.370 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB1 . . . . . . . . . rr_1jdk 1
. 16 . 3212 . 1 1 14 ALA HB2 H 1.073 4.205 -6.308 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB2 . . . . . . . . . rr_1jdk 1
. 16 . 3213 . 1 1 14 ALA HB3 H 1.887 2.843 -7.113 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB3 . . . . . . . . . rr_1jdk 1
. 16 . 3214 . 1 1 14 ALA N N 3.382 5.491 -5.514 . . . 1.0 . . . . . . . . . . . . A . 14 ALA N . . . . . . . . . rr_1jdk 1
. 16 . 3215 . 1 1 14 ALA O O 4.059 4.991 -8.854 . . . 1.0 . . . . . . . . . . . . A . 14 ALA O . . . . . . . . . rr_1jdk 1
. 16 . 3216 . 1 1 14 ALA OXT O 2.133 6.019 -8.138 . . . 1.0 . . . . . . . . . . . . A . 14 ALA OXT . . . . . . . . . rr_1jdk 1
. 17 . 3217 . 1 1 1 ACE C C -11.180 4.934 -7.631 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . rr_1jdk 1
. 17 . 3218 . 1 1 1 ACE CH3 C -12.018 4.650 -8.873 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . rr_1jdk 1
. 17 . 3219 . 1 1 1 ACE H1 H -12.143 3.564 -9.035 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . rr_1jdk 1
. 17 . 3220 . 1 1 1 ACE H2 H -13.030 5.086 -8.777 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . rr_1jdk 1
. 17 . 3221 . 1 1 1 ACE H3 H -11.562 5.082 -9.784 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . rr_1jdk 1
. 17 . 3222 . 1 1 1 ACE O O -11.680 5.495 -6.654 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . rr_1jdk 1
. 17 . 3223 . 1 1 2 ILE C C -7.525 5.040 -7.185 . . . 1.0 . . . . . . . . . . . . A . 2 ILE C . . . . . . . . . rr_1jdk 1
. 17 . 3224 . 1 1 2 ILE CA C -8.933 4.724 -6.579 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CA . . . . . . . . . rr_1jdk 1
. 17 . 3225 . 1 1 2 ILE CB C -9.006 3.548 -5.526 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CB . . . . . . . . . rr_1jdk 1
. 17 . 3226 . 1 1 2 ILE CD1 C -9.289 4.835 -3.295 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CD1 . . . . . . . . . rr_1jdk 1
. 17 . 3227 . 1 1 2 ILE CG1 C -8.393 3.921 -4.146 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG1 . . . . . . . . . rr_1jdk 1
. 17 . 3228 . 1 1 2 ILE CG2 C -8.455 2.169 -5.979 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG2 . . . . . . . . . rr_1jdk 1
. 17 . 3229 . 1 1 2 ILE H H -9.642 4.138 -8.603 . . . 1.0 . . . . . . . . . . . . A . 2 ILE H . . . . . . . . . rr_1jdk 1
. 17 . 3230 . 1 1 2 ILE HA H -9.249 5.635 -6.032 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HA . . . . . . . . . rr_1jdk 1
. 17 . 3231 . 1 1 2 ILE HB H -10.081 3.358 -5.336 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HB . . . . . . . . . rr_1jdk 1
. 17 . 3232 . 1 1 2 ILE HD11 H -9.467 5.813 -3.777 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD11 . . . . . . . . . rr_1jdk 1
. 17 . 3233 . 1 1 2 ILE HD12 H -10.277 4.372 -3.112 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD12 . . . . . . . . . rr_1jdk 1
. 17 . 3234 . 1 1 2 ILE HD13 H -8.833 5.030 -2.308 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD13 . . . . . . . . . rr_1jdk 1
. 17 . 3235 . 1 1 2 ILE HG12 H -8.208 3.011 -3.545 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG12 . . . . . . . . . rr_1jdk 1
. 17 . 3236 . 1 1 2 ILE HG13 H -7.395 4.382 -4.276 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG13 . . . . . . . . . rr_1jdk 1
. 17 . 3237 . 1 1 2 ILE HG21 H -8.679 1.376 -5.238 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG21 . . . . . . . . . rr_1jdk 1
. 17 . 3238 . 1 1 2 ILE HG22 H -8.896 1.837 -6.936 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG22 . . . . . . . . . rr_1jdk 1
. 17 . 3239 . 1 1 2 ILE HG23 H -7.357 2.171 -6.105 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG23 . . . . . . . . . rr_1jdk 1
. 17 . 3240 . 1 1 2 ILE N N -9.904 4.530 -7.695 . . . 1.0 . . . . . . . . . . . . A . 2 ILE N . . . . . . . . . rr_1jdk 1
. 17 . 3241 . 1 1 2 ILE O O -6.808 4.131 -7.616 . . . 1.0 . . . . . . . . . . . . A . 2 ILE O . . . . . . . . . rr_1jdk 1
. 17 . 3242 . 1 1 3 TRP C C -5.156 7.703 -6.720 . . . 1.0 . . . . . . . . . . . . A . 3 TRP C . . . . . . . . . rr_1jdk 1
. 17 . 3243 . 1 1 3 TRP CA C -5.825 6.782 -7.781 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CA . . . . . . . . . rr_1jdk 1
. 17 . 3244 . 1 1 3 TRP CB C -5.943 7.379 -9.215 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CB . . . . . . . . . rr_1jdk 1
. 17 . 3245 . 1 1 3 TRP CD1 C -6.238 9.964 -9.567 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD1 . . . . . . . . . rr_1jdk 1
. 17 . 3246 . 1 1 3 TRP CD2 C -8.135 8.809 -9.499 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD2 . . . . . . . . . rr_1jdk 1
. 17 . 3247 . 1 1 3 TRP CE2 C -8.424 10.183 -9.691 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE2 . . . . . . . . . rr_1jdk 1
. 17 . 3248 . 1 1 3 TRP CE3 C -9.179 7.862 -9.389 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE3 . . . . . . . . . rr_1jdk 1
. 17 . 3249 . 1 1 3 TRP CG C -6.763 8.665 -9.420 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CG . . . . . . . . . rr_1jdk 1
. 17 . 3250 . 1 1 3 TRP CH2 C -10.789 9.668 -9.672 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CH2 . . . . . . . . . rr_1jdk 1
. 17 . 3251 . 1 1 3 TRP CZ2 C -9.770 10.617 -9.779 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ2 . . . . . . . . . rr_1jdk 1
. 17 . 3252 . 1 1 3 TRP CZ3 C -10.498 8.311 -9.478 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ3 . . . . . . . . . rr_1jdk 1
. 17 . 3253 . 1 1 3 TRP H H -7.863 7.029 -7.015 . . . 1.0 . . . . . . . . . . . . A . 3 TRP H . . . . . . . . . rr_1jdk 1
. 17 . 3254 . 1 1 3 TRP HA H -5.166 5.901 -7.925 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HA . . . . . . . . . rr_1jdk 1
. 17 . 3255 . 1 1 3 TRP HB2 H -4.920 7.551 -9.601 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB2 . . . . . . . . . rr_1jdk 1
. 17 . 3256 . 1 1 3 TRP HB3 H -6.346 6.600 -9.889 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB3 . . . . . . . . . rr_1jdk 1
. 17 . 3257 . 1 1 3 TRP HD1 H -5.183 10.196 -9.516 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HD1 . . . . . . . . . rr_1jdk 1
. 17 . 3258 . 1 1 3 TRP HE1 H -7.155 11.940 -9.846 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE1 . . . . . . . . . rr_1jdk 1
. 17 . 3259 . 1 1 3 TRP HE3 H -8.942 6.823 -9.207 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE3 . . . . . . . . . rr_1jdk 1
. 17 . 3260 . 1 1 3 TRP HH2 H -11.820 9.987 -9.733 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HH2 . . . . . . . . . rr_1jdk 1
. 17 . 3261 . 1 1 3 TRP HZ2 H -10.007 11.662 -9.919 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ2 . . . . . . . . . rr_1jdk 1
. 17 . 3262 . 1 1 3 TRP HZ3 H -11.308 7.603 -9.385 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ3 . . . . . . . . . rr_1jdk 1
. 17 . 3263 . 1 1 3 TRP N N -7.140 6.335 -7.237 . . . 1.0 . . . . . . . . . . . . A . 3 TRP N . . . . . . . . . rr_1jdk 1
. 17 . 3264 . 1 1 3 TRP NE1 N -7.254 10.924 -9.739 . . . 1.0 . . . . . . . . . . . . A . 3 TRP NE1 . . . . . . . . . rr_1jdk 1
. 17 . 3265 . 1 1 3 TRP O O -5.342 8.924 -6.703 . . . 1.0 . . . . . . . . . . . . A . 3 TRP O . . . . . . . . . rr_1jdk 1
. 17 . 3266 . 1 1 4 GLY C C -2.960 6.849 -3.777 . . . 1.0 . . . . . . . . . . . . A . 4 GLY C . . . . . . . . . rr_1jdk 1
. 17 . 3267 . 1 1 4 GLY CA C -3.686 7.806 -4.733 . . . 1.0 . . . . . . . . . . . . A . 4 GLY CA . . . . . . . . . rr_1jdk 1
. 17 . 3268 . 1 1 4 GLY H H -4.401 6.061 -5.911 . . . 1.0 . . . . . . . . . . . . A . 4 GLY H . . . . . . . . . rr_1jdk 1
. 17 . 3269 . 1 1 4 GLY HA2 H -2.951 8.509 -5.171 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA2 . . . . . . . . . rr_1jdk 1
. 17 . 3270 . 1 1 4 GLY HA3 H -4.399 8.440 -4.169 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA3 . . . . . . . . . rr_1jdk 1
. 17 . 3271 . 1 1 4 GLY N N -4.386 7.082 -5.819 . . . 1.0 . . . . . . . . . . . . A . 4 GLY N . . . . . . . . . rr_1jdk 1
. 17 . 3272 . 1 1 4 GLY O O -1.737 6.719 -3.859 . . . 1.0 . . . . . . . . . . . . A . 4 GLY O . . . . . . . . . rr_1jdk 1
. 17 . 3273 . 1 1 5 GLU C C -3.806 3.857 -2.200 . . . 1.0 . . . . . . . . . . . . A . 5 GLU C . . . . . . . . . rr_1jdk 1
. 17 . 3274 . 1 1 5 GLU CA C -3.162 5.241 -1.879 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CA . . . . . . . . . rr_1jdk 1
. 17 . 3275 . 1 1 5 GLU CB C -3.400 5.754 -0.419 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CB . . . . . . . . . rr_1jdk 1
. 17 . 3276 . 1 1 5 GLU CD C -1.797 4.143 0.915 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CD . . . . . . . . . rr_1jdk 1
. 17 . 3277 . 1 1 5 GLU CG C -2.230 5.588 0.582 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CG . . . . . . . . . rr_1jdk 1
. 17 . 3278 . 1 1 5 GLU H H -4.727 6.338 -3.011 . . . 1.0 . . . . . . . . . . . . A . 5 GLU H . . . . . . . . . rr_1jdk 1
. 17 . 3279 . 1 1 5 GLU HA H -2.064 5.146 -2.013 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HA . . . . . . . . . rr_1jdk 1
. 17 . 3280 . 1 1 5 GLU HB2 H -3.625 6.838 -0.423 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB2 . . . . . . . . . rr_1jdk 1
. 17 . 3281 . 1 1 5 GLU HB3 H -4.312 5.307 0.020 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB3 . . . . . . . . . rr_1jdk 1
. 17 . 3282 . 1 1 5 GLU HG2 H -1.380 6.208 0.240 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG2 . . . . . . . . . rr_1jdk 1
. 17 . 3283 . 1 1 5 GLU HG3 H -2.543 6.065 1.532 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG3 . . . . . . . . . rr_1jdk 1
. 17 . 3284 . 1 1 5 GLU N N -3.718 6.213 -2.866 . . . 1.0 . . . . . . . . . . . . A . 5 GLU N . . . . . . . . . rr_1jdk 1
. 17 . 3285 . 1 1 5 GLU O O -4.818 3.465 -1.609 . . . 1.0 . . . . . . . . . . . . A . 5 GLU O . . . . . . . . . rr_1jdk 1
. 17 . 3286 . 1 1 5 GLU OE1 O -2.632 3.346 1.353 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE1 . . . . . . . . . rr_1jdk 1
. 17 . 3287 . 1 1 6 SER C C -2.508 1.018 -4.244 . . . 1.0 . . . . . . . . . . . . A . 6 SER C . . . . . . . . . rr_1jdk 1
. 17 . 3288 . 1 1 6 SER CA C -3.714 1.810 -3.632 . . . 1.0 . . . . . . . . . . . . A . 6 SER CA . . . . . . . . . rr_1jdk 1
. 17 . 3289 . 1 1 6 SER CB C -4.878 1.967 -4.650 . . . 1.0 . . . . . . . . . . . . A . 6 SER CB . . . . . . . . . rr_1jdk 1
. 17 . 3290 . 1 1 6 SER H H -2.370 3.565 -3.568 . . . 1.0 . . . . . . . . . . . . A . 6 SER H . . . . . . . . . rr_1jdk 1
. 17 . 3291 . 1 1 6 SER HA H -4.176 1.284 -2.774 . . . 1.0 . . . . . . . . . . . . A . 6 SER HA . . . . . . . . . rr_1jdk 1
. 17 . 3292 . 1 1 6 SER HB2 H -5.230 0.974 -4.987 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB2 . . . . . . . . . rr_1jdk 1
. 17 . 3293 . 1 1 6 SER HB3 H -5.753 2.431 -4.158 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB3 . . . . . . . . . rr_1jdk 1
. 17 . 3294 . 1 1 6 SER HG H -3.687 2.385 -6.106 . . . 1.0 . . . . . . . . . . . . A . 6 SER HG . . . . . . . . . rr_1jdk 1
. 17 . 3295 . 1 1 6 SER N N -3.222 3.139 -3.180 . . . 1.0 . . . . . . . . . . . . A . 6 SER N . . . . . . . . . rr_1jdk 1
. 17 . 3296 . 1 1 6 SER O O -2.106 1.334 -5.371 . . . 1.0 . . . . . . . . . . . . A . 6 SER O . . . . . . . . . rr_1jdk 1
. 17 . 3297 . 1 1 6 SER OG O -4.518 2.750 -5.787 . . . 1.0 . . . . . . . . . . . . A . 6 SER OG . . . . . . . . . rr_1jdk 1
. 17 . 3298 . 1 1 7 GLY C C -0.279 -1.832 -3.161 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . rr_1jdk 1
. 17 . 3299 . 1 1 7 GLY CA C -0.777 -0.742 -4.130 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . rr_1jdk 1
. 17 . 3300 . 1 1 7 GLY H H -2.168 -0.189 -2.589 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . rr_1jdk 1
. 17 . 3301 . 1 1 7 GLY HA2 H -1.048 -1.153 -5.122 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . rr_1jdk 1
. 17 . 3302 . 1 1 7 GLY HA3 H 0.049 -0.032 -4.328 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . rr_1jdk 1
. 17 . 3303 . 1 1 7 GLY N N -1.919 0.004 -3.563 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . rr_1jdk 1
. 17 . 3304 . 1 1 7 GLY O O 0.152 -1.514 -2.049 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . rr_1jdk 1
. 17 . 3305 . 1 1 8 LYS C C 1.632 -4.208 -2.280 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . rr_1jdk 1
. 17 . 3306 . 1 1 8 LYS CA C 0.148 -4.271 -2.767 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . rr_1jdk 1
. 17 . 3307 . 1 1 8 LYS CB C -0.161 -5.616 -3.486 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . rr_1jdk 1
. 17 . 3308 . 1 1 8 LYS CD C -2.633 -6.112 -2.710 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . rr_1jdk 1
. 17 . 3309 . 1 1 8 LYS CE C -3.378 -4.824 -2.306 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . rr_1jdk 1
. 17 . 3310 . 1 1 8 LYS CG C -1.628 -5.939 -3.871 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . rr_1jdk 1
. 17 . 3311 . 1 1 8 LYS H H -0.813 -3.262 -4.471 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . rr_1jdk 1
. 17 . 3312 . 1 1 8 LYS HA H -0.463 -4.264 -1.844 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . rr_1jdk 1
. 17 . 3313 . 1 1 8 LYS HB2 H 0.452 -5.678 -4.405 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . rr_1jdk 1
. 17 . 3314 . 1 1 8 LYS HB3 H 0.209 -6.449 -2.857 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . rr_1jdk 1
. 17 . 3315 . 1 1 8 LYS HD2 H -3.386 -6.863 -3.021 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . rr_1jdk 1
. 17 . 3316 . 1 1 8 LYS HD3 H -2.126 -6.564 -1.835 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . rr_1jdk 1
. 17 . 3317 . 1 1 8 LYS HE2 H -2.675 -4.034 -1.988 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . rr_1jdk 1
. 17 . 3318 . 1 1 8 LYS HE3 H -3.925 -4.411 -3.174 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . rr_1jdk 1
. 17 . 3319 . 1 1 8 LYS HG2 H -2.006 -5.202 -4.607 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . rr_1jdk 1
. 17 . 3320 . 1 1 8 LYS HG3 H -1.605 -6.890 -4.435 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . rr_1jdk 1
. 17 . 3321 . 1 1 8 LYS HZ1 H -4.798 -4.214 -0.931 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . rr_1jdk 1
. 17 . 3322 . 1 1 8 LYS HZ2 H -3.837 -5.416 -0.380 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . rr_1jdk 1
. 17 . 3323 . 1 1 8 LYS N N -0.302 -3.109 -3.596 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . rr_1jdk 1
. 17 . 3324 . 1 1 8 LYS NZ N -4.333 -5.084 -1.214 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . rr_1jdk 1
. 17 . 3325 . 1 1 8 LYS O O 1.866 -4.343 -1.076 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . rr_1jdk 1
. 17 . 3326 . 1 1 9 LEU C C 4.296 -2.452 -2.246 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . rr_1jdk 1
. 17 . 3327 . 1 1 9 LEU CA C 4.057 -3.891 -2.807 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . rr_1jdk 1
. 17 . 3328 . 1 1 9 LEU CB C 4.943 -4.337 -4.008 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . rr_1jdk 1
. 17 . 3329 . 1 1 9 LEU CD1 C 6.927 -5.395 -2.734 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . rr_1jdk 1
. 17 . 3330 . 1 1 9 LEU CD2 C 7.224 -4.589 -5.104 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . rr_1jdk 1
. 17 . 3331 . 1 1 9 LEU CG C 6.481 -4.349 -3.777 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . rr_1jdk 1
. 17 . 3332 . 1 1 9 LEU H H 2.294 -3.899 -4.152 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . rr_1jdk 1
. 17 . 3333 . 1 1 9 LEU HA H 4.259 -4.603 -1.984 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . rr_1jdk 1
. 17 . 3334 . 1 1 9 LEU HB2 H 4.629 -5.347 -4.337 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . rr_1jdk 1
. 17 . 3335 . 1 1 9 LEU HB3 H 4.719 -3.682 -4.873 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . rr_1jdk 1
. 17 . 3336 . 1 1 9 LEU HD11 H 6.634 -6.422 -3.023 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . rr_1jdk 1
. 17 . 3337 . 1 1 9 LEU HD12 H 8.024 -5.392 -2.597 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . rr_1jdk 1
. 17 . 3338 . 1 1 9 LEU HD13 H 6.489 -5.196 -1.738 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . rr_1jdk 1
. 17 . 3339 . 1 1 9 LEU HD21 H 6.980 -5.573 -5.548 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . rr_1jdk 1
. 17 . 3340 . 1 1 9 LEU HD22 H 6.974 -3.819 -5.858 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . rr_1jdk 1
. 17 . 3341 . 1 1 9 LEU HD23 H 8.322 -4.554 -4.971 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . rr_1jdk 1
. 17 . 3342 . 1 1 9 LEU HG H 6.788 -3.352 -3.409 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . rr_1jdk 1
. 17 . 3343 . 1 1 9 LEU N N 2.618 -4.008 -3.184 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . rr_1jdk 1
. 17 . 3344 . 1 1 9 LEU O O 4.395 -2.297 -1.026 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . rr_1jdk 1
. 17 . 3345 . 1 1 10 ILE C C 3.088 0.590 -2.509 . . . 1.0 . . . . . . . . . . . . A . 10 ILE C . . . . . . . . . rr_1jdk 1
. 17 . 3346 . 1 1 10 ILE CA C 4.526 0.003 -2.685 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CA . . . . . . . . . rr_1jdk 1
. 17 . 3347 . 1 1 10 ILE CB C 5.503 0.842 -3.598 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CB . . . . . . . . . rr_1jdk 1
. 17 . 3348 . 1 1 10 ILE CD1 C 7.512 2.475 -3.411 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CD1 . . . . . . . . . rr_1jdk 1
. 17 . 3349 . 1 1 10 ILE CG1 C 6.215 1.955 -2.775 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CG1 . . . . . . . . . rr_1jdk 1
. 17 . 3350 . 1 1 10 ILE CG2 C 4.895 1.461 -4.893 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CG2 . . . . . . . . . rr_1jdk 1
. 17 . 3351 . 1 1 10 ILE H H 4.320 -1.732 -4.091 . . . 1.0 . . . . . . . . . . . . A . 10 ILE H . . . . . . . . . rr_1jdk 1
. 17 . 3352 . 1 1 10 ILE HA H 5.004 -0.029 -1.685 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HA . . . . . . . . . rr_1jdk 1
. 17 . 3353 . 1 1 10 ILE HB H 6.308 0.153 -3.922 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HB . . . . . . . . . rr_1jdk 1
. 17 . 3354 . 1 1 10 ILE HD11 H 8.225 1.651 -3.596 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD11 . . . . . . . . . rr_1jdk 1
. 17 . 3355 . 1 1 10 ILE HD12 H 7.323 2.976 -4.378 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD12 . . . . . . . . . rr_1jdk 1
. 17 . 3356 . 1 1 10 ILE HD13 H 8.010 3.206 -2.751 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD13 . . . . . . . . . rr_1jdk 1
. 17 . 3357 . 1 1 10 ILE HG12 H 5.524 2.797 -2.579 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG12 . . . . . . . . . rr_1jdk 1
. 17 . 3358 . 1 1 10 ILE HG13 H 6.491 1.574 -1.773 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG13 . . . . . . . . . rr_1jdk 1
. 17 . 3359 . 1 1 10 ILE HG21 H 5.665 1.910 -5.550 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG21 . . . . . . . . . rr_1jdk 1
. 17 . 3360 . 1 1 10 ILE HG22 H 4.361 0.715 -5.504 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG22 . . . . . . . . . rr_1jdk 1
. 17 . 3361 . 1 1 10 ILE HG23 H 4.176 2.275 -4.675 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG23 . . . . . . . . . rr_1jdk 1
. 17 . 3362 . 1 1 10 ILE N N 4.365 -1.420 -3.117 . . . 1.0 . . . . . . . . . . . . A . 10 ILE N . . . . . . . . . rr_1jdk 1
. 17 . 3363 . 1 1 10 ILE O O 2.285 0.551 -3.448 . . . 1.0 . . . . . . . . . . . . A . 10 ILE O . . . . . . . . . rr_1jdk 1
. 17 . 3364 . 1 1 11 . C C 0.824 2.757 -2.001 . . . 1.0 . . . . . . . . . . . . A . 11 DAB C . . . . . . . . . rr_1jdk 1
. 17 . 3365 . 1 1 11 . CA C 1.433 1.717 -1.005 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CA . . . . . . . . . rr_1jdk 1
. 17 . 3366 . 1 1 11 . CB C 1.429 2.220 0.470 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CB . . . . . . . . . rr_1jdk 1
. 17 . 3367 . 1 1 11 . CG C 0.044 2.496 1.108 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CG . . . . . . . . . rr_1jdk 1
. 17 . 3368 . 1 1 11 . H H 3.521 1.074 -0.616 . . . 1.0 . . . . . . . . . . . . A . 11 DAB H . . . . . . . . . rr_1jdk 1
. 17 . 3369 . 1 1 11 . HA H 0.742 0.852 -1.027 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HA . . . . . . . . . rr_1jdk 1
. 17 . 3370 . 1 1 11 . HB2 H 1.905 1.445 1.103 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HB2 . . . . . . . . . rr_1jdk 1
. 17 . 3371 . 1 1 11 . HB3 H 2.089 3.103 0.580 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HB3 . . . . . . . . . rr_1jdk 1
. 17 . 3372 . 1 1 11 . HD2 H 0.115 4.559 0.377 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HD2 . . . . . . . . . rr_1jdk 1
. 17 . 3373 . 1 1 11 . HG2 H -0.664 1.688 0.836 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HG2 . . . . . . . . . rr_1jdk 1
. 17 . 3374 . 1 1 11 . HG3 H 0.137 2.446 2.210 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HG3 . . . . . . . . . rr_1jdk 1
. 17 . 3375 . 1 1 11 . N N 2.779 1.146 -1.322 . . . 1.0 . . . . . . . . . . . . A . 11 DAB N . . . . . . . . . rr_1jdk 1
. 17 . 3376 . 1 1 11 . ND N -0.499 3.827 0.753 . . . 1.0 . . . . . . . . . . . . A . 11 DAB ND . . . . . . . . . rr_1jdk 1
. 17 . 3377 . 1 1 11 . O O -0.387 2.700 -2.228 . . . 1.0 . . . . . . . . . . . . A . 11 DAB O . . . . . . . . . rr_1jdk 1
. 17 . 3378 . 1 1 12 THR C C 0.503 4.051 -4.846 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_1jdk 1
. 17 . 3379 . 1 1 12 THR CA C 1.100 4.701 -3.550 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_1jdk 1
. 17 . 3380 . 1 1 12 THR CB C 2.166 5.816 -3.814 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_1jdk 1
. 17 . 3381 . 1 1 12 THR CG2 C 1.640 7.014 -4.624 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_1jdk 1
. 17 . 3382 . 1 1 12 THR H H 2.598 3.635 -2.293 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_1jdk 1
. 17 . 3383 . 1 1 12 THR HA H 0.260 5.210 -3.040 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_1jdk 1
. 17 . 3384 . 1 1 12 THR HB H 3.023 5.389 -4.370 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_1jdk 1
. 17 . 3385 . 1 1 12 THR HG1 H 3.237 7.069 -2.818 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG1 . . . . . . . . . rr_1jdk 1
. 17 . 3386 . 1 1 12 THR HG21 H 0.808 7.526 -4.105 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_1jdk 1
. 17 . 3387 . 1 1 12 THR HG22 H 2.431 7.768 -4.793 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_1jdk 1
. 17 . 3388 . 1 1 12 THR HG23 H 1.269 6.710 -5.620 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_1jdk 1
. 17 . 3389 . 1 1 12 THR N N 1.616 3.678 -2.589 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_1jdk 1
. 17 . 3390 . 1 1 12 THR O O -0.716 4.104 -5.034 . . . 1.0 . . . . . . . . . . . . A . 12 THR O . . . . . . . . . rr_1jdk 1
. 17 . 3391 . 1 1 12 THR OG1 O 2.652 6.345 -2.583 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_1jdk 1
. 17 . 3392 . 1 1 13 THR C C 1.875 1.635 -7.267 . . . 1.0 . . . . . . . . . . . . A . 13 THR C . . . . . . . . . rr_1jdk 1
. 17 . 3393 . 1 1 13 THR CA C 0.878 2.793 -6.970 . . . 1.0 . . . . . . . . . . . . A . 13 THR CA . . . . . . . . . rr_1jdk 1
. 17 . 3394 . 1 1 13 THR CB C 0.753 3.804 -8.157 . . . 1.0 . . . . . . . . . . . . A . 13 THR CB . . . . . . . . . rr_1jdk 1
. 17 . 3395 . 1 1 13 THR CG2 C 0.158 3.191 -9.437 . . . 1.0 . . . . . . . . . . . . A . 13 THR CG2 . . . . . . . . . rr_1jdk 1
. 17 . 3396 . 1 1 13 THR H H 2.329 3.461 -5.441 . . . 1.0 . . . . . . . . . . . . A . 13 THR H . . . . . . . . . rr_1jdk 1
. 17 . 3397 . 1 1 13 THR HA H -0.131 2.364 -6.799 . . . 1.0 . . . . . . . . . . . . A . 13 THR HA . . . . . . . . . rr_1jdk 1
. 17 . 3398 . 1 1 13 THR HB H 1.753 4.212 -8.400 . . . 1.0 . . . . . . . . . . . . A . 13 THR HB . . . . . . . . . rr_1jdk 1
. 17 . 3399 . 1 1 13 THR HG1 H -0.867 4.517 -7.393 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG1 . . . . . . . . . rr_1jdk 1
. 17 . 3400 . 1 1 13 THR HG21 H 0.071 3.946 -10.241 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG21 . . . . . . . . . rr_1jdk 1
. 17 . 3401 . 1 1 13 THR HG22 H 0.785 2.372 -9.833 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG22 . . . . . . . . . rr_1jdk 1
. 17 . 3402 . 1 1 13 THR HG23 H -0.855 2.779 -9.264 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG23 . . . . . . . . . rr_1jdk 1
. 17 . 3403 . 1 1 13 THR N N 1.341 3.449 -5.715 . . . 1.0 . . . . . . . . . . . . A . 13 THR N . . . . . . . . . rr_1jdk 1
. 17 . 3404 . 1 1 13 THR O O 3.013 1.882 -7.685 . . . 1.0 . . . . . . . . . . . . A . 13 THR O . . . . . . . . . rr_1jdk 1
. 17 . 3405 . 1 1 13 THR OG1 O -0.089 4.899 -7.806 . . . 1.0 . . . . . . . . . . . . A . 13 THR OG1 . . . . . . . . . rr_1jdk 1
. 17 . 3406 . 1 1 14 ALA C C 2.057 -1.380 -8.735 . . . 1.0 . . . . . . . . . . . . A . 14 ALA C . . . . . . . . . rr_1jdk 1
. 17 . 3407 . 1 1 14 ALA CA C 2.282 -0.821 -7.312 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CA . . . . . . . . . rr_1jdk 1
. 17 . 3408 . 1 1 14 ALA CB C 2.020 -1.880 -6.224 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CB . . . . . . . . . rr_1jdk 1
. 17 . 3409 . 1 1 14 ALA H H 0.478 0.304 -6.709 . . . 1.0 . . . . . . . . . . . . A . 14 ALA H . . . . . . . . . rr_1jdk 1
. 17 . 3410 . 1 1 14 ALA HXT H 0.666 -2.153 -9.843 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HXT . . . . . . . . . rr_1jdk 1
. 17 . 3411 . 1 1 14 ALA HA H 3.353 -0.556 -7.231 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HA . . . . . . . . . rr_1jdk 1
. 17 . 3412 . 1 1 14 ALA HB1 H 0.977 -2.246 -6.238 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB1 . . . . . . . . . rr_1jdk 1
. 17 . 3413 . 1 1 14 ALA HB2 H 2.676 -2.761 -6.351 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB2 . . . . . . . . . rr_1jdk 1
. 17 . 3414 . 1 1 14 ALA HB3 H 2.216 -1.482 -5.211 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB3 . . . . . . . . . rr_1jdk 1
. 17 . 3415 . 1 1 14 ALA N N 1.440 0.377 -7.060 . . . 1.0 . . . . . . . . . . . . A . 14 ALA N . . . . . . . . . rr_1jdk 1
. 17 . 3416 . 1 1 14 ALA O O 2.947 -1.426 -9.584 . . . 1.0 . . . . . . . . . . . . A . 14 ALA O . . . . . . . . . rr_1jdk 1
. 17 . 3417 . 1 1 14 ALA OXT O 0.773 -1.816 -8.950 . . . 1.0 . . . . . . . . . . . . A . 14 ALA OXT . . . . . . . . . rr_1jdk 1
. 18 . 3418 . 1 1 1 ACE C C -7.480 5.745 -10.131 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . rr_1jdk 1
. 18 . 3419 . 1 1 1 ACE CH3 C -7.361 4.799 -11.321 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . rr_1jdk 1
. 18 . 3420 . 1 1 1 ACE H1 H -7.561 3.752 -11.027 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . rr_1jdk 1
. 18 . 3421 . 1 1 1 ACE H2 H -8.087 5.063 -12.113 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . rr_1jdk 1
. 18 . 3422 . 1 1 1 ACE H3 H -6.354 4.840 -11.776 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . rr_1jdk 1
. 18 . 3423 . 1 1 1 ACE O O -8.349 6.620 -10.111 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . rr_1jdk 1
. 18 . 3424 . 1 1 2 ILE C C -5.046 6.556 -7.531 . . . 1.0 . . . . . . . . . . . . A . 2 ILE C . . . . . . . . . rr_1jdk 1
. 18 . 3425 . 1 1 2 ILE CA C -6.552 6.366 -7.906 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CA . . . . . . . . . rr_1jdk 1
. 18 . 3426 . 1 1 2 ILE CB C -7.510 5.803 -6.783 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CB . . . . . . . . . rr_1jdk 1
. 18 . 3427 . 1 1 2 ILE CD1 C -9.029 7.840 -6.264 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CD1 . . . . . . . . . rr_1jdk 1
. 18 . 3428 . 1 1 2 ILE CG1 C -7.942 6.883 -5.749 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG1 . . . . . . . . . rr_1jdk 1
. 18 . 3429 . 1 1 2 ILE CG2 C -7.023 4.539 -6.028 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG2 . . . . . . . . . rr_1jdk 1
. 18 . 3430 . 1 1 2 ILE H H -5.894 4.826 -9.355 . . . 1.0 . . . . . . . . . . . . A . 2 ILE H . . . . . . . . . rr_1jdk 1
. 18 . 3431 . 1 1 2 ILE HA H -6.951 7.368 -8.167 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HA . . . . . . . . . rr_1jdk 1
. 18 . 3432 . 1 1 2 ILE HB H -8.442 5.478 -7.288 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HB . . . . . . . . . rr_1jdk 1
. 18 . 3433 . 1 1 2 ILE HD11 H -9.330 8.560 -5.482 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD11 . . . . . . . . . rr_1jdk 1
. 18 . 3434 . 1 1 2 ILE HD12 H -8.695 8.424 -7.141 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD12 . . . . . . . . . rr_1jdk 1
. 18 . 3435 . 1 1 2 ILE HD13 H -9.941 7.290 -6.564 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD13 . . . . . . . . . rr_1jdk 1
. 18 . 3436 . 1 1 2 ILE HG12 H -8.347 6.406 -4.837 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG12 . . . . . . . . . rr_1jdk 1
. 18 . 3437 . 1 1 2 ILE HG13 H -7.062 7.458 -5.402 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG13 . . . . . . . . . rr_1jdk 1
. 18 . 3438 . 1 1 2 ILE HG21 H -7.826 4.102 -5.403 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG21 . . . . . . . . . rr_1jdk 1
. 18 . 3439 . 1 1 2 ILE HG22 H -6.693 3.743 -6.720 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG22 . . . . . . . . . rr_1jdk 1
. 18 . 3440 . 1 1 2 ILE HG23 H -6.181 4.759 -5.346 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG23 . . . . . . . . . rr_1jdk 1
. 18 . 3441 . 1 1 2 ILE N N -6.596 5.541 -9.145 . . . 1.0 . . . . . . . . . . . . A . 2 ILE N . . . . . . . . . rr_1jdk 1
. 18 . 3442 . 1 1 2 ILE O O -4.409 5.642 -6.995 . . . 1.0 . . . . . . . . . . . . A . 2 ILE O . . . . . . . . . rr_1jdk 1
. 18 . 3443 . 1 1 3 TRP C C -2.934 8.736 -6.140 . . . 1.0 . . . . . . . . . . . . A . 3 TRP C . . . . . . . . . rr_1jdk 1
. 18 . 3444 . 1 1 3 TRP CA C -3.038 8.043 -7.530 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CA . . . . . . . . . rr_1jdk 1
. 18 . 3445 . 1 1 3 TRP CB C -2.389 8.860 -8.683 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CB . . . . . . . . . rr_1jdk 1
. 18 . 3446 . 1 1 3 TRP CD1 C -1.054 7.434 -10.442 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD1 . . . . . . . . . rr_1jdk 1
. 18 . 3447 . 1 1 3 TRP CD2 C -3.159 7.887 -11.005 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD2 . . . . . . . . . rr_1jdk 1
. 18 . 3448 . 1 1 3 TRP CE2 C -2.556 7.105 -12.021 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE2 . . . . . . . . . rr_1jdk 1
. 18 . 3449 . 1 1 3 TRP CE3 C -4.518 8.277 -11.110 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE3 . . . . . . . . . rr_1jdk 1
. 18 . 3450 . 1 1 3 TRP CG C -2.222 8.098 -10.008 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CG . . . . . . . . . rr_1jdk 1
. 18 . 3451 . 1 1 3 TRP CH2 C -4.645 7.110 -13.243 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CH2 . . . . . . . . . rr_1jdk 1
. 18 . 3452 . 1 1 3 TRP CZ2 C -3.309 6.711 -13.154 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ2 . . . . . . . . . rr_1jdk 1
. 18 . 3453 . 1 1 3 TRP CZ3 C -5.240 7.880 -12.236 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ3 . . . . . . . . . rr_1jdk 1
. 18 . 3454 . 1 1 3 TRP H H -5.045 8.389 -8.370 . . . 1.0 . . . . . . . . . . . . A . 3 TRP H . . . . . . . . . rr_1jdk 1
. 18 . 3455 . 1 1 3 TRP HA H -2.455 7.099 -7.486 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HA . . . . . . . . . rr_1jdk 1
. 18 . 3456 . 1 1 3 TRP HB2 H -2.946 9.799 -8.858 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB2 . . . . . . . . . rr_1jdk 1
. 18 . 3457 . 1 1 3 TRP HB3 H -1.384 9.199 -8.364 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB3 . . . . . . . . . rr_1jdk 1
. 18 . 3458 . 1 1 3 TRP HD1 H -0.130 7.396 -9.883 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HD1 . . . . . . . . . rr_1jdk 1
. 18 . 3459 . 1 1 3 TRP HE1 H -0.566 6.258 -12.232 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE1 . . . . . . . . . rr_1jdk 1
. 18 . 3460 . 1 1 3 TRP HE3 H -4.987 8.839 -10.315 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE3 . . . . . . . . . rr_1jdk 1
. 18 . 3461 . 1 1 3 TRP HH2 H -5.232 6.811 -14.099 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HH2 . . . . . . . . . rr_1jdk 1
. 18 . 3462 . 1 1 3 TRP HZ2 H -2.864 6.109 -13.932 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ2 . . . . . . . . . rr_1jdk 1
. 18 . 3463 . 1 1 3 TRP HZ3 H -6.281 8.158 -12.325 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ3 . . . . . . . . . rr_1jdk 1
. 18 . 3464 . 1 1 3 TRP N N -4.470 7.741 -7.822 . . . 1.0 . . . . . . . . . . . . A . 3 TRP N . . . . . . . . . rr_1jdk 1
. 18 . 3465 . 1 1 3 TRP NE1 N -1.241 6.814 -11.693 . . . 1.0 . . . . . . . . . . . . A . 3 TRP NE1 . . . . . . . . . rr_1jdk 1
. 18 . 3466 . 1 1 3 TRP O O -2.872 9.962 -6.014 . . . 1.0 . . . . . . . . . . . . A . 3 TRP O . . . . . . . . . rr_1jdk 1
. 18 . 3467 . 1 1 4 GLY C C -2.425 7.135 -2.809 . . . 1.0 . . . . . . . . . . . . A . 4 GLY C . . . . . . . . . rr_1jdk 1
. 18 . 3468 . 1 1 4 GLY CA C -2.840 8.319 -3.696 . . . 1.0 . . . . . . . . . . . . A . 4 GLY CA . . . . . . . . . rr_1jdk 1
. 18 . 3469 . 1 1 4 GLY H H -3.118 6.920 -5.389 . . . 1.0 . . . . . . . . . . . . A . 4 GLY H . . . . . . . . . rr_1jdk 1
. 18 . 3470 . 1 1 4 GLY HA2 H -2.098 9.129 -3.580 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA2 . . . . . . . . . rr_1jdk 1
. 18 . 3471 . 1 1 4 GLY HA3 H -3.807 8.747 -3.367 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA3 . . . . . . . . . rr_1jdk 1
. 18 . 3472 . 1 1 4 GLY N N -2.927 7.887 -5.105 . . . 1.0 . . . . . . . . . . . . A . 4 GLY N . . . . . . . . . rr_1jdk 1
. 18 . 3473 . 1 1 4 GLY O O -1.237 6.990 -2.503 . . . 1.0 . . . . . . . . . . . . A . 4 GLY O . . . . . . . . . rr_1jdk 1
. 18 . 3474 . 1 1 5 GLU C C -3.733 3.860 -2.285 . . . 1.0 . . . . . . . . . . . . A . 5 GLU C . . . . . . . . . rr_1jdk 1
. 18 . 3475 . 1 1 5 GLU CA C -3.156 5.111 -1.553 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CA . . . . . . . . . rr_1jdk 1
. 18 . 3476 . 1 1 5 GLU CB C -3.735 5.309 -0.116 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CB . . . . . . . . . rr_1jdk 1
. 18 . 3477 . 1 1 5 GLU CD C -2.733 3.084 0.883 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CD . . . . . . . . . rr_1jdk 1
. 18 . 3478 . 1 1 5 GLU CG C -2.989 4.598 1.043 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CG . . . . . . . . . rr_1jdk 1
. 18 . 3479 . 1 1 5 GLU H H -4.332 6.519 -2.794 . . . 1.0 . . . . . . . . . . . . A . 5 GLU H . . . . . . . . . rr_1jdk 1
. 18 . 3480 . 1 1 5 GLU HA H -2.063 4.971 -1.426 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HA . . . . . . . . . rr_1jdk 1
. 18 . 3481 . 1 1 5 GLU HB2 H -3.738 6.385 0.147 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB2 . . . . . . . . . rr_1jdk 1
. 18 . 3482 . 1 1 5 GLU HB3 H -4.805 5.028 -0.084 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB3 . . . . . . . . . rr_1jdk 1
. 18 . 3483 . 1 1 5 GLU HG2 H -2.044 5.140 1.243 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG2 . . . . . . . . . rr_1jdk 1
. 18 . 3484 . 1 1 5 GLU HG3 H -3.579 4.747 1.969 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG3 . . . . . . . . . rr_1jdk 1
. 18 . 3485 . 1 1 5 GLU N N -3.407 6.306 -2.404 . . . 1.0 . . . . . . . . . . . . A . 5 GLU N . . . . . . . . . rr_1jdk 1
. 18 . 3486 . 1 1 5 GLU O O -4.929 3.565 -2.190 . . . 1.0 . . . . . . . . . . . . A . 5 GLU O . . . . . . . . . rr_1jdk 1
. 18 . 3487 . 1 1 5 GLU OE1 O -3.659 2.283 1.035 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE1 . . . . . . . . . rr_1jdk 1
. 18 . 3488 . 1 1 6 SER C C -1.975 1.082 -4.146 . . . 1.0 . . . . . . . . . . . . A . 6 SER C . . . . . . . . . rr_1jdk 1
. 18 . 3489 . 1 1 6 SER CA C -3.256 1.914 -3.790 . . . 1.0 . . . . . . . . . . . . A . 6 SER CA . . . . . . . . . rr_1jdk 1
. 18 . 3490 . 1 1 6 SER CB C -4.076 2.233 -5.066 . . . 1.0 . . . . . . . . . . . . A . 6 SER CB . . . . . . . . . rr_1jdk 1
. 18 . 3491 . 1 1 6 SER H H -1.901 3.473 -3.012 . . . 1.0 . . . . . . . . . . . . A . 6 SER H . . . . . . . . . rr_1jdk 1
. 18 . 3492 . 1 1 6 SER HA H -3.913 1.342 -3.102 . . . 1.0 . . . . . . . . . . . . A . 6 SER HA . . . . . . . . . rr_1jdk 1
. 18 . 3493 . 1 1 6 SER HB2 H -4.377 1.299 -5.574 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB2 . . . . . . . . . rr_1jdk 1
. 18 . 3494 . 1 1 6 SER HB3 H -5.023 2.735 -4.797 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB3 . . . . . . . . . rr_1jdk 1
. 18 . 3495 . 1 1 6 SER HG H -3.199 3.885 -5.533 . . . 1.0 . . . . . . . . . . . . A . 6 SER HG . . . . . . . . . rr_1jdk 1
. 18 . 3496 . 1 1 6 SER N N -2.875 3.145 -3.038 . . . 1.0 . . . . . . . . . . . . A . 6 SER N . . . . . . . . . rr_1jdk 1
. 18 . 3497 . 1 1 6 SER O O -0.910 1.672 -4.367 . . . 1.0 . . . . . . . . . . . . A . 6 SER O . . . . . . . . . rr_1jdk 1
. 18 . 3498 . 1 1 6 SER OG O -3.353 3.051 -5.984 . . . 1.0 . . . . . . . . . . . . A . 6 SER OG . . . . . . . . . rr_1jdk 1
. 18 . 3499 . 1 1 7 GLY C C -0.438 -1.991 -3.374 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . rr_1jdk 1
. 18 . 3500 . 1 1 7 GLY CA C -0.869 -1.110 -4.569 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . rr_1jdk 1
. 18 . 3501 . 1 1 7 GLY H H -2.978 -0.707 -4.283 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . rr_1jdk 1
. 18 . 3502 . 1 1 7 GLY HA2 H -1.110 -1.712 -5.464 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . rr_1jdk 1
. 18 . 3503 . 1 1 7 GLY HA3 H 0.002 -0.498 -4.880 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . rr_1jdk 1
. 18 . 3504 . 1 1 7 GLY N N -2.051 -0.270 -4.246 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . rr_1jdk 1
. 18 . 3505 . 1 1 7 GLY O O -0.184 -1.464 -2.287 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . rr_1jdk 1
. 18 . 3506 . 1 1 8 LYS C C 1.566 -4.047 -1.980 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . rr_1jdk 1
. 18 . 3507 . 1 1 8 LYS CA C 0.102 -4.266 -2.486 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . rr_1jdk 1
. 18 . 3508 . 1 1 8 LYS CB C -0.131 -5.741 -2.919 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . rr_1jdk 1
. 18 . 3509 . 1 1 8 LYS CD C -1.831 -7.645 -3.441 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . rr_1jdk 1
. 18 . 3510 . 1 1 8 LYS CE C -1.381 -8.049 -4.859 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . rr_1jdk 1
. 18 . 3511 . 1 1 8 LYS CG C -1.613 -6.155 -3.101 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . rr_1jdk 1
. 18 . 3512 . 1 1 8 LYS H H -0.627 -3.688 -4.478 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . rr_1jdk 1
. 18 . 3513 . 1 1 8 LYS HA H -0.557 -4.084 -1.613 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . rr_1jdk 1
. 18 . 3514 . 1 1 8 LYS HB2 H 0.435 -5.950 -3.846 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . rr_1jdk 1
. 18 . 3515 . 1 1 8 LYS HB3 H 0.312 -6.412 -2.157 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . rr_1jdk 1
. 18 . 3516 . 1 1 8 LYS HD2 H -1.325 -8.275 -2.683 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . rr_1jdk 1
. 18 . 3517 . 1 1 8 LYS HD3 H -2.909 -7.865 -3.328 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . rr_1jdk 1
. 18 . 3518 . 1 1 8 LYS HE2 H -1.891 -7.426 -5.619 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . rr_1jdk 1
. 18 . 3519 . 1 1 8 LYS HE3 H -0.297 -7.873 -4.992 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . rr_1jdk 1
. 18 . 3520 . 1 1 8 LYS HG2 H -2.160 -5.932 -2.166 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . rr_1jdk 1
. 18 . 3521 . 1 1 8 LYS HG3 H -2.096 -5.527 -3.872 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . rr_1jdk 1
. 18 . 3522 . 1 1 8 LYS HZ1 H -2.675 -9.654 -5.013 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . rr_1jdk 1
. 18 . 3523 . 1 1 8 LYS HZ2 H -1.203 -10.062 -4.430 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . rr_1jdk 1
. 18 . 3524 . 1 1 8 LYS N N -0.321 -3.323 -3.569 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . rr_1jdk 1
. 18 . 3525 . 1 1 8 LYS NZ N -1.672 -9.469 -5.124 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . rr_1jdk 1
. 18 . 3526 . 1 1 8 LYS O O 1.770 -3.933 -0.768 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . rr_1jdk 1
. 18 . 3527 . 1 1 9 LEU C C 4.257 -2.254 -2.185 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . rr_1jdk 1
. 18 . 3528 . 1 1 9 LEU CA C 3.994 -3.755 -2.520 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . rr_1jdk 1
. 18 . 3529 . 1 1 9 LEU CB C 4.984 -4.273 -3.612 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . rr_1jdk 1
. 18 . 3530 . 1 1 9 LEU CD1 C 5.771 -5.988 -5.323 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . rr_1jdk 1
. 18 . 3531 . 1 1 9 LEU CD2 C 4.806 -6.809 -3.138 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . rr_1jdk 1
. 18 . 3532 . 1 1 9 LEU CG C 4.759 -5.690 -4.199 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . rr_1jdk 1
. 18 . 3533 . 1 1 9 LEU H H 2.262 -4.091 -3.861 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . rr_1jdk 1
. 18 . 3534 . 1 1 9 LEU HA H 4.212 -4.338 -1.602 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . rr_1jdk 1
. 18 . 3535 . 1 1 9 LEU HB2 H 4.977 -3.563 -4.461 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . rr_1jdk 1
. 18 . 3536 . 1 1 9 LEU HB3 H 6.013 -4.208 -3.208 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . rr_1jdk 1
. 18 . 3537 . 1 1 9 LEU HD11 H 5.578 -6.968 -5.796 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . rr_1jdk 1
. 18 . 3538 . 1 1 9 LEU HD12 H 5.720 -5.231 -6.128 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . rr_1jdk 1
. 18 . 3539 . 1 1 9 LEU HD13 H 6.813 -6.002 -4.951 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . rr_1jdk 1
. 18 . 3540 . 1 1 9 LEU HD21 H 4.032 -6.670 -2.362 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . rr_1jdk 1
. 18 . 3541 . 1 1 9 LEU HD22 H 4.625 -7.805 -3.586 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . rr_1jdk 1
. 18 . 3542 . 1 1 9 LEU HD23 H 5.783 -6.852 -2.623 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . rr_1jdk 1
. 18 . 3543 . 1 1 9 LEU HG H 3.753 -5.675 -4.657 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . rr_1jdk 1
. 18 . 3544 . 1 1 9 LEU N N 2.563 -3.983 -2.887 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . rr_1jdk 1
. 18 . 3545 . 1 1 9 LEU O O 4.688 -1.940 -1.072 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . rr_1jdk 1
. 18 . 3546 . 1 1 10 ILE C C 2.755 0.752 -2.884 . . . 1.0 . . . . . . . . . . . . A . 10 ILE C . . . . . . . . . rr_1jdk 1
. 18 . 3547 . 1 1 10 ILE CA C 4.174 0.122 -2.979 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CA . . . . . . . . . rr_1jdk 1
. 18 . 3548 . 1 1 10 ILE CB C 5.137 0.742 -4.067 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CB . . . . . . . . . rr_1jdk 1
. 18 . 3549 . 1 1 10 ILE CD1 C 7.344 0.614 -2.628 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CD1 . . . . . . . . . rr_1jdk 1
. 18 . 3550 . 1 1 10 ILE CG1 C 6.609 0.243 -3.932 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CG1 . . . . . . . . . rr_1jdk 1
. 18 . 3551 . 1 1 10 ILE CG2 C 5.133 2.294 -4.171 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CG2 . . . . . . . . . rr_1jdk 1
. 18 . 3552 . 1 1 10 ILE H H 3.594 -1.797 -3.991 . . . 1.0 . . . . . . . . . . . . A . 10 ILE H . . . . . . . . . rr_1jdk 1
. 18 . 3553 . 1 1 10 ILE HA H 4.668 0.328 -2.007 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HA . . . . . . . . . rr_1jdk 1
. 18 . 3554 . 1 1 10 ILE HB H 4.784 0.406 -5.062 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HB . . . . . . . . . rr_1jdk 1
. 18 . 3555 . 1 1 10 ILE HD11 H 7.364 1.706 -2.459 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD11 . . . . . . . . . rr_1jdk 1
. 18 . 3556 . 1 1 10 ILE HD12 H 6.870 0.155 -1.740 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD12 . . . . . . . . . rr_1jdk 1
. 18 . 3557 . 1 1 10 ILE HD13 H 8.392 0.268 -2.646 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD13 . . . . . . . . . rr_1jdk 1
. 18 . 3558 . 1 1 10 ILE HG12 H 6.636 -0.856 -4.048 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG12 . . . . . . . . . rr_1jdk 1
. 18 . 3559 . 1 1 10 ILE HG13 H 7.202 0.619 -4.787 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG13 . . . . . . . . . rr_1jdk 1
. 18 . 3560 . 1 1 10 ILE HG21 H 5.846 2.659 -4.937 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG21 . . . . . . . . . rr_1jdk 1
. 18 . 3561 . 1 1 10 ILE HG22 H 4.146 2.693 -4.470 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG22 . . . . . . . . . rr_1jdk 1
. 18 . 3562 . 1 1 10 ILE HG23 H 5.404 2.786 -3.219 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG23 . . . . . . . . . rr_1jdk 1
. 18 . 3563 . 1 1 10 ILE N N 3.993 -1.350 -3.153 . . . 1.0 . . . . . . . . . . . . A . 10 ILE N . . . . . . . . . rr_1jdk 1
. 18 . 3564 . 1 1 10 ILE O O 2.143 1.096 -3.901 . . . 1.0 . . . . . . . . . . . . A . 10 ILE O . . . . . . . . . rr_1jdk 1
. 18 . 3565 . 1 1 11 . C C 0.922 3.076 -1.614 . . . 1.0 . . . . . . . . . . . . A . 11 DAB C . . . . . . . . . rr_1jdk 1
. 18 . 3566 . 1 1 11 . CA C 0.918 1.527 -1.383 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CA . . . . . . . . . rr_1jdk 1
. 18 . 3567 . 1 1 11 . CB C 0.405 1.111 0.027 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CB . . . . . . . . . rr_1jdk 1
. 18 . 3568 . 1 1 11 . CG C -1.106 1.309 0.312 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CG . . . . . . . . . rr_1jdk 1
. 18 . 3569 . 1 1 11 . H H 2.741 0.362 -0.914 . . . 1.0 . . . . . . . . . . . . A . 11 DAB H . . . . . . . . . rr_1jdk 1
. 18 . 3570 . 1 1 11 . HA H 0.204 1.097 -2.111 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HA . . . . . . . . . rr_1jdk 1
. 18 . 3571 . 1 1 11 . HB2 H 0.593 0.027 0.160 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HB2 . . . . . . . . . rr_1jdk 1
. 18 . 3572 . 1 1 11 . HB3 H 1.011 1.593 0.819 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HB3 . . . . . . . . . rr_1jdk 1
. 18 . 3573 . 1 1 11 . HD2 H -0.811 3.489 0.472 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HD2 . . . . . . . . . rr_1jdk 1
. 18 . 3574 . 1 1 11 . HG2 H -1.704 0.903 -0.527 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HG2 . . . . . . . . . rr_1jdk 1
. 18 . 3575 . 1 1 11 . HG3 H -1.382 0.698 1.193 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HG3 . . . . . . . . . rr_1jdk 1
. 18 . 3576 . 1 1 11 . N N 2.245 0.896 -1.640 . . . 1.0 . . . . . . . . . . . . A . 11 DAB N . . . . . . . . . rr_1jdk 1
. 18 . 3577 . 1 1 11 . ND N -1.480 2.717 0.570 . . . 1.0 . . . . . . . . . . . . A . 11 DAB ND . . . . . . . . . rr_1jdk 1
. 18 . 3578 . 1 1 11 . O O -0.038 3.589 -2.192 . . . 1.0 . . . . . . . . . . . . A . 11 DAB O . . . . . . . . . rr_1jdk 1
. 18 . 3579 . 1 1 12 THR C C 2.541 5.614 -2.811 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_1jdk 1
. 18 . 3580 . 1 1 12 THR CA C 2.040 5.297 -1.368 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_1jdk 1
. 18 . 3581 . 1 1 12 THR CB C 2.913 5.983 -0.274 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_1jdk 1
. 18 . 3582 . 1 1 12 THR CG2 C 2.329 5.910 1.148 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_1jdk 1
. 18 . 3583 . 1 1 12 THR H H 2.777 3.273 -0.858 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_1jdk 1
. 18 . 3584 . 1 1 12 THR HA H 1.022 5.723 -1.243 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_1jdk 1
. 18 . 3585 . 1 1 12 THR HB H 2.995 7.057 -0.527 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_1jdk 1
. 18 . 3586 . 1 1 12 THR HG1 H 4.557 5.495 -1.152 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG1 . . . . . . . . . rr_1jdk 1
. 18 . 3587 . 1 1 12 THR HG21 H 2.248 4.867 1.508 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_1jdk 1
. 18 . 3588 . 1 1 12 THR HG22 H 2.964 6.456 1.870 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_1jdk 1
. 18 . 3589 . 1 1 12 THR HG23 H 1.319 6.358 1.198 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_1jdk 1
. 18 . 3590 . 1 1 12 THR N N 1.967 3.819 -1.180 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_1jdk 1
. 18 . 3591 . 1 1 12 THR O O 3.743 5.547 -3.094 . . . 1.0 . . . . . . . . . . . . A . 12 THR O . . . . . . . . . rr_1jdk 1
. 18 . 3592 . 1 1 12 THR OG1 O 4.232 5.442 -0.248 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_1jdk 1
. 18 . 3593 . 1 1 13 THR C C 2.132 7.800 -5.334 . . . 1.0 . . . . . . . . . . . . A . 13 THR C . . . . . . . . . rr_1jdk 1
. 18 . 3594 . 1 1 13 THR CA C 1.894 6.273 -5.135 . . . 1.0 . . . . . . . . . . . . A . 13 THR CA . . . . . . . . . rr_1jdk 1
. 18 . 3595 . 1 1 13 THR CB C 0.846 5.651 -6.110 . . . 1.0 . . . . . . . . . . . . A . 13 THR CB . . . . . . . . . rr_1jdk 1
. 18 . 3596 . 1 1 13 THR CG2 C 0.866 4.113 -6.162 . . . 1.0 . . . . . . . . . . . . A . 13 THR CG2 . . . . . . . . . rr_1jdk 1
. 18 . 3597 . 1 1 13 THR H H 0.636 5.935 -3.348 . . . 1.0 . . . . . . . . . . . . A . 13 THR H . . . . . . . . . rr_1jdk 1
. 18 . 3598 . 1 1 13 THR HA H 2.854 5.790 -5.412 . . . 1.0 . . . . . . . . . . . . A . 13 THR HA . . . . . . . . . rr_1jdk 1
. 18 . 3599 . 1 1 13 THR HB H 1.068 6.011 -7.134 . . . 1.0 . . . . . . . . . . . . A . 13 THR HB . . . . . . . . . rr_1jdk 1
. 18 . 3600 . 1 1 13 THR HG1 H -1.057 5.535 -6.347 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG1 . . . . . . . . . rr_1jdk 1
. 18 . 3601 . 1 1 13 THR HG21 H 1.855 3.727 -6.467 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG21 . . . . . . . . . rr_1jdk 1
. 18 . 3602 . 1 1 13 THR HG22 H 0.630 3.667 -5.178 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG22 . . . . . . . . . rr_1jdk 1
. 18 . 3603 . 1 1 13 THR HG23 H 0.126 3.720 -6.884 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG23 . . . . . . . . . rr_1jdk 1
. 18 . 3604 . 1 1 13 THR N N 1.597 5.947 -3.708 . . . 1.0 . . . . . . . . . . . . A . 13 THR N . . . . . . . . . rr_1jdk 1
. 18 . 3605 . 1 1 13 THR O O 3.243 8.178 -5.718 . . . 1.0 . . . . . . . . . . . . A . 13 THR O . . . . . . . . . rr_1jdk 1
. 18 . 3606 . 1 1 13 THR OG1 O -0.480 6.058 -5.786 . . . 1.0 . . . . . . . . . . . . A . 13 THR OG1 . . . . . . . . . rr_1jdk 1
. 18 . 3607 . 1 1 14 ALA C C 0.551 10.830 -4.060 . . . 1.0 . . . . . . . . . . . . A . 14 ALA C . . . . . . . . . rr_1jdk 1
. 18 . 3608 . 1 1 14 ALA CA C 1.270 10.137 -5.236 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CA . . . . . . . . . rr_1jdk 1
. 18 . 3609 . 1 1 14 ALA CB C 0.751 10.594 -6.613 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CB . . . . . . . . . rr_1jdk 1
. 18 . 3610 . 1 1 14 ALA H H 0.245 8.228 -4.792 . . . 1.0 . . . . . . . . . . . . A . 14 ALA H . . . . . . . . . rr_1jdk 1
. 18 . 3611 . 1 1 14 ALA HXT H 0.920 11.434 -2.257 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HXT . . . . . . . . . rr_1jdk 1
. 18 . 3612 . 1 1 14 ALA HA H 2.338 10.428 -5.179 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HA . . . . . . . . . rr_1jdk 1
. 18 . 3613 . 1 1 14 ALA HB1 H 1.277 10.083 -7.440 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB1 . . . . . . . . . rr_1jdk 1
. 18 . 3614 . 1 1 14 ALA HB2 H -0.329 10.399 -6.734 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB2 . . . . . . . . . rr_1jdk 1
. 18 . 3615 . 1 1 14 ALA HB3 H 0.901 11.680 -6.759 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB3 . . . . . . . . . rr_1jdk 1
. 18 . 3616 . 1 1 14 ALA N N 1.125 8.667 -5.086 . . . 1.0 . . . . . . . . . . . . A . 14 ALA N . . . . . . . . . rr_1jdk 1
. 18 . 3617 . 1 1 14 ALA O O -0.628 11.185 -4.075 . . . 1.0 . . . . . . . . . . . . A . 14 ALA O . . . . . . . . . rr_1jdk 1
. 18 . 3618 . 1 1 14 ALA OXT O 1.381 11.005 -2.982 . . . 1.0 . . . . . . . . . . . . A . 14 ALA OXT . . . . . . . . . rr_1jdk 1
. 19 . 3619 . 1 1 1 ACE C C -10.468 -2.172 -3.835 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . rr_1jdk 1
. 19 . 3620 . 1 1 1 ACE CH3 C -10.952 -3.568 -4.214 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . rr_1jdk 1
. 19 . 3621 . 1 1 1 ACE H1 H -10.615 -3.854 -5.229 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . rr_1jdk 1
. 19 . 3622 . 1 1 1 ACE H2 H -10.583 -4.331 -3.503 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . rr_1jdk 1
. 19 . 3623 . 1 1 1 ACE H3 H -12.056 -3.622 -4.209 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . rr_1jdk 1
. 19 . 3624 . 1 1 1 ACE O O -11.275 -1.289 -3.538 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . rr_1jdk 1
. 19 . 3625 . 1 1 2 ILE C C -7.172 -0.612 -4.358 . . . 1.0 . . . . . . . . . . . . A . 2 ILE C . . . . . . . . . rr_1jdk 1
. 19 . 3626 . 1 1 2 ILE CA C -8.480 -0.710 -3.501 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CA . . . . . . . . . rr_1jdk 1
. 19 . 3627 . 1 1 2 ILE CB C -8.330 -0.526 -1.939 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CB . . . . . . . . . rr_1jdk 1
. 19 . 3628 . 1 1 2 ILE CD1 C -9.607 1.675 -1.452 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CD1 . . . . . . . . . rr_1jdk 1
. 19 . 3629 . 1 1 2 ILE CG1 C -8.241 0.968 -1.507 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG1 . . . . . . . . . rr_1jdk 1
. 19 . 3630 . 1 1 2 ILE CG2 C -7.208 -1.346 -1.253 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG2 . . . . . . . . . rr_1jdk 1
. 19 . 3631 . 1 1 2 ILE H H -8.609 -2.818 -4.158 . . . 1.0 . . . . . . . . . . . . A . 2 ILE H . . . . . . . . . rr_1jdk 1
. 19 . 3632 . 1 1 2 ILE HA H -9.161 0.097 -3.842 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HA . . . . . . . . . rr_1jdk 1
. 19 . 3633 . 1 1 2 ILE HB H -9.259 -0.912 -1.477 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HB . . . . . . . . . rr_1jdk 1
. 19 . 3634 . 1 1 2 ILE HD11 H -9.503 2.724 -1.122 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD11 . . . . . . . . . rr_1jdk 1
. 19 . 3635 . 1 1 2 ILE HD12 H -10.116 1.682 -2.431 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD12 . . . . . . . . . rr_1jdk 1
. 19 . 3636 . 1 1 2 ILE HD13 H -10.287 1.179 -0.733 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD13 . . . . . . . . . rr_1jdk 1
. 19 . 3637 . 1 1 2 ILE HG12 H -7.795 1.057 -0.498 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG12 . . . . . . . . . rr_1jdk 1
. 19 . 3638 . 1 1 2 ILE HG13 H -7.550 1.523 -2.171 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG13 . . . . . . . . . rr_1jdk 1
. 19 . 3639 . 1 1 2 ILE HG21 H -7.272 -1.282 -0.150 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG21 . . . . . . . . . rr_1jdk 1
. 19 . 3640 . 1 1 2 ILE HG22 H -7.268 -2.418 -1.512 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG22 . . . . . . . . . rr_1jdk 1
. 19 . 3641 . 1 1 2 ILE HG23 H -6.199 -0.996 -1.534 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG23 . . . . . . . . . rr_1jdk 1
. 19 . 3642 . 1 1 2 ILE N N -9.139 -2.002 -3.841 . . . 1.0 . . . . . . . . . . . . A . 2 ILE N . . . . . . . . . rr_1jdk 1
. 19 . 3643 . 1 1 2 ILE O O -6.192 -1.314 -4.087 . . . 1.0 . . . . . . . . . . . . A . 2 ILE O . . . . . . . . . rr_1jdk 1
. 19 . 3644 . 1 1 3 TRP C C -5.852 1.924 -6.615 . . . 1.0 . . . . . . . . . . . . A . 3 TRP C . . . . . . . . . rr_1jdk 1
. 19 . 3645 . 1 1 3 TRP CA C -5.980 0.403 -6.307 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CA . . . . . . . . . rr_1jdk 1
. 19 . 3646 . 1 1 3 TRP CB C -6.108 -0.502 -7.564 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CB . . . . . . . . . rr_1jdk 1
. 19 . 3647 . 1 1 3 TRP CD1 C -4.433 0.129 -9.476 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD1 . . . . . . . . . rr_1jdk 1
. 19 . 3648 . 1 1 3 TRP CD2 C -3.915 -1.721 -8.354 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD2 . . . . . . . . . rr_1jdk 1
. 19 . 3649 . 1 1 3 TRP CE2 C -2.979 -1.521 -9.401 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE2 . . . . . . . . . rr_1jdk 1
. 19 . 3650 . 1 1 3 TRP CE3 C -3.815 -2.859 -7.511 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE3 . . . . . . . . . rr_1jdk 1
. 19 . 3651 . 1 1 3 TRP CG C -4.834 -0.685 -8.397 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CG . . . . . . . . . rr_1jdk 1
. 19 . 3652 . 1 1 3 TRP CH2 C -1.843 -3.560 -8.759 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CH2 . . . . . . . . . rr_1jdk 1
. 19 . 3653 . 1 1 3 TRP CZ2 C -1.936 -2.456 -9.609 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ2 . . . . . . . . . rr_1jdk 1
. 19 . 3654 . 1 1 3 TRP CZ3 C -2.767 -3.757 -7.725 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ3 . . . . . . . . . rr_1jdk 1
. 19 . 3655 . 1 1 3 TRP H H -8.032 0.763 -5.565 . . . 1.0 . . . . . . . . . . . . A . 3 TRP H . . . . . . . . . rr_1jdk 1
. 19 . 3656 . 1 1 3 TRP HA H -5.067 0.058 -5.779 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HA . . . . . . . . . rr_1jdk 1
. 19 . 3657 . 1 1 3 TRP HB2 H -6.437 -1.511 -7.253 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB2 . . . . . . . . . rr_1jdk 1
. 19 . 3658 . 1 1 3 TRP HB3 H -6.915 -0.130 -8.221 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB3 . . . . . . . . . rr_1jdk 1
. 19 . 3659 . 1 1 3 TRP HD1 H -4.974 1.002 -9.812 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HD1 . . . . . . . . . rr_1jdk 1
. 19 . 3660 . 1 1 3 TRP HE1 H -2.785 0.017 -10.921 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE1 . . . . . . . . . rr_1jdk 1
. 19 . 3661 . 1 1 3 TRP HE3 H -4.523 -3.027 -6.712 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE3 . . . . . . . . . rr_1jdk 1
. 19 . 3662 . 1 1 3 TRP HH2 H -1.046 -4.273 -8.903 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HH2 . . . . . . . . . rr_1jdk 1
. 19 . 3663 . 1 1 3 TRP HZ2 H -1.219 -2.316 -10.405 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ2 . . . . . . . . . rr_1jdk 1
. 19 . 3664 . 1 1 3 TRP HZ3 H -2.668 -4.620 -7.082 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ3 . . . . . . . . . rr_1jdk 1
. 19 . 3665 . 1 1 3 TRP N N -7.167 0.226 -5.418 . . . 1.0 . . . . . . . . . . . . A . 3 TRP N . . . . . . . . . rr_1jdk 1
. 19 . 3666 . 1 1 3 TRP NE1 N -3.275 -0.366 -10.105 . . . 1.0 . . . . . . . . . . . . A . 3 TRP NE1 . . . . . . . . . rr_1jdk 1
. 19 . 3667 . 1 1 3 TRP O O -6.500 2.455 -7.523 . . . 1.0 . . . . . . . . . . . . A . 3 TRP O . . . . . . . . . rr_1jdk 1
. 19 . 3668 . 1 1 4 GLY C C -3.569 4.442 -5.085 . . . 1.0 . . . . . . . . . . . . A . 4 GLY C . . . . . . . . . rr_1jdk 1
. 19 . 3669 . 1 1 4 GLY CA C -4.772 4.062 -5.962 . . . 1.0 . . . . . . . . . . . . A . 4 GLY CA . . . . . . . . . rr_1jdk 1
. 19 . 3670 . 1 1 4 GLY H H -4.499 2.020 -5.161 . . . 1.0 . . . . . . . . . . . . A . 4 GLY H . . . . . . . . . rr_1jdk 1
. 19 . 3671 . 1 1 4 GLY HA2 H -4.558 4.322 -7.015 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA2 . . . . . . . . . rr_1jdk 1
. 19 . 3672 . 1 1 4 GLY HA3 H -5.677 4.634 -5.680 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA3 . . . . . . . . . rr_1jdk 1
. 19 . 3673 . 1 1 4 GLY N N -5.012 2.606 -5.827 . . . 1.0 . . . . . . . . . . . . A . 4 GLY N . . . . . . . . . rr_1jdk 1
. 19 . 3674 . 1 1 4 GLY O O -2.436 4.442 -5.576 . . . 1.0 . . . . . . . . . . . . A . 4 GLY O . . . . . . . . . rr_1jdk 1
. 19 . 3675 . 1 1 5 GLU C C -2.528 3.861 -1.870 . . . 1.0 . . . . . . . . . . . . A . 5 GLU C . . . . . . . . . rr_1jdk 1
. 19 . 3676 . 1 1 5 GLU CA C -2.725 5.093 -2.830 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CA . . . . . . . . . rr_1jdk 1
. 19 . 3677 . 1 1 5 GLU CB C -2.959 6.463 -2.117 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CB . . . . . . . . . rr_1jdk 1
. 19 . 3678 . 1 1 5 GLU CD C -0.807 6.529 -0.608 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CD . . . . . . . . . rr_1jdk 1
. 19 . 3679 . 1 1 5 GLU CG C -1.685 7.227 -1.666 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CG . . . . . . . . . rr_1jdk 1
. 19 . 3680 . 1 1 5 GLU H H -4.790 4.590 -3.512 . . . 1.0 . . . . . . . . . . . . A . 5 GLU H . . . . . . . . . rr_1jdk 1
. 19 . 3681 . 1 1 5 GLU HA H -1.774 5.217 -3.382 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HA . . . . . . . . . rr_1jdk 1
. 19 . 3682 . 1 1 5 GLU HB2 H -3.495 7.153 -2.797 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB2 . . . . . . . . . rr_1jdk 1
. 19 . 3683 . 1 1 5 GLU HB3 H -3.642 6.348 -1.253 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB3 . . . . . . . . . rr_1jdk 1
. 19 . 3684 . 1 1 5 GLU HG2 H -1.089 7.504 -2.557 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG2 . . . . . . . . . rr_1jdk 1
. 19 . 3685 . 1 1 5 GLU HG3 H -2.001 8.201 -1.244 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG3 . . . . . . . . . rr_1jdk 1
. 19 . 3686 . 1 1 5 GLU N N -3.822 4.775 -3.802 . . . 1.0 . . . . . . . . . . . . A . 5 GLU N . . . . . . . . . rr_1jdk 1
. 19 . 3687 . 1 1 5 GLU O O -2.685 3.955 -0.650 . . . 1.0 . . . . . . . . . . . . A . 5 GLU O . . . . . . . . . rr_1jdk 1
. 19 . 3688 . 1 1 5 GLU OE1 O -1.149 6.542 0.578 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE1 . . . . . . . . . rr_1jdk 1
. 19 . 3689 . 1 1 6 SER C C -1.601 0.408 -2.944 . . . 1.0 . . . . . . . . . . . . A . 6 SER C . . . . . . . . . rr_1jdk 1
. 19 . 3690 . 1 1 6 SER CA C -1.966 1.395 -1.790 . . . 1.0 . . . . . . . . . . . . A . 6 SER CA . . . . . . . . . rr_1jdk 1
. 19 . 3691 . 1 1 6 SER CB C -3.081 0.926 -0.806 . . . 1.0 . . . . . . . . . . . . A . 6 SER CB . . . . . . . . . rr_1jdk 1
. 19 . 3692 . 1 1 6 SER H H -1.938 2.853 -3.455 . . . 1.0 . . . . . . . . . . . . A . 6 SER H . . . . . . . . . rr_1jdk 1
. 19 . 3693 . 1 1 6 SER HA H -1.048 1.506 -1.181 . . . 1.0 . . . . . . . . . . . . A . 6 SER HA . . . . . . . . . rr_1jdk 1
. 19 . 3694 . 1 1 6 SER HB2 H -2.852 -0.087 -0.426 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB2 . . . . . . . . . rr_1jdk 1
. 19 . 3695 . 1 1 6 SER HB3 H -3.102 1.573 0.088 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB3 . . . . . . . . . rr_1jdk 1
. 19 . 3696 . 1 1 6 SER HG H -4.996 0.715 -0.715 . . . 1.0 . . . . . . . . . . . . A . 6 SER HG . . . . . . . . . rr_1jdk 1
. 19 . 3697 . 1 1 6 SER N N -2.201 2.700 -2.473 . . . 1.0 . . . . . . . . . . . . A . 6 SER N . . . . . . . . . rr_1jdk 1
. 19 . 3698 . 1 1 6 SER O O -0.439 0.386 -3.359 . . . 1.0 . . . . . . . . . . . . A . 6 SER O . . . . . . . . . rr_1jdk 1
. 19 . 3699 . 1 1 6 SER OG O -4.371 0.927 -1.412 . . . 1.0 . . . . . . . . . . . . A . 6 SER OG . . . . . . . . . rr_1jdk 1
. 19 . 3700 . 1 1 7 GLY C C -1.849 -2.731 -4.197 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . rr_1jdk 1
. 19 . 3701 . 1 1 7 GLY CA C -2.308 -1.320 -4.591 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . rr_1jdk 1
. 19 . 3702 . 1 1 7 GLY H H -3.419 -0.468 -2.911 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . rr_1jdk 1
. 19 . 3703 . 1 1 7 GLY HA2 H -3.256 -1.415 -5.149 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . rr_1jdk 1
. 19 . 3704 . 1 1 7 GLY HA3 H -1.613 -0.877 -5.329 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . rr_1jdk 1
. 19 . 3705 . 1 1 7 GLY N N -2.561 -0.391 -3.469 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . rr_1jdk 1
. 19 . 3706 . 1 1 7 GLY O O -2.659 -3.661 -4.165 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . rr_1jdk 1
. 19 . 3707 . 1 1 8 LYS C C 1.284 -4.029 -2.580 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . rr_1jdk 1
. 19 . 3708 . 1 1 8 LYS CA C 0.079 -4.178 -3.558 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . rr_1jdk 1
. 19 . 3709 . 1 1 8 LYS CB C 0.365 -5.079 -4.800 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . rr_1jdk 1
. 19 . 3710 . 1 1 8 LYS CD C 1.376 -5.438 -7.143 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . rr_1jdk 1
. 19 . 3711 . 1 1 8 LYS CE C 2.172 -4.801 -8.295 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . rr_1jdk 1
. 19 . 3712 . 1 1 8 LYS CG C 1.250 -4.497 -5.930 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . rr_1jdk 1
. 19 . 3713 . 1 1 8 LYS H H -0.027 -1.984 -3.908 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . rr_1jdk 1
. 19 . 3714 . 1 1 8 LYS HA H -0.674 -4.741 -2.970 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . rr_1jdk 1
. 19 . 3715 . 1 1 8 LYS HB2 H 0.800 -6.037 -4.456 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . rr_1jdk 1
. 19 . 3716 . 1 1 8 LYS HB3 H -0.610 -5.365 -5.240 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . rr_1jdk 1
. 19 . 3717 . 1 1 8 LYS HD2 H 1.858 -6.383 -6.827 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . rr_1jdk 1
. 19 . 3718 . 1 1 8 LYS HD3 H 0.365 -5.719 -7.498 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . rr_1jdk 1
. 19 . 3719 . 1 1 8 LYS HE2 H 1.692 -3.858 -8.621 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . rr_1jdk 1
. 19 . 3720 . 1 1 8 LYS HE3 H 3.191 -4.530 -7.959 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . rr_1jdk 1
. 19 . 3721 . 1 1 8 LYS HG2 H 0.827 -3.530 -6.265 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . rr_1jdk 1
. 19 . 3722 . 1 1 8 LYS HG3 H 2.258 -4.266 -5.540 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . rr_1jdk 1
. 19 . 3723 . 1 1 8 LYS HZ1 H 2.765 -5.267 -10.221 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . rr_1jdk 1
. 19 . 3724 . 1 1 8 LYS HZ2 H 1.334 -5.941 -9.803 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . rr_1jdk 1
. 19 . 3725 . 1 1 8 LYS N N -0.541 -2.873 -3.932 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . rr_1jdk 1
. 19 . 3726 . 1 1 8 LYS NZ N 2.269 -5.719 -9.444 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . rr_1jdk 1
. 19 . 3727 . 1 1 8 LYS O O 1.244 -4.619 -1.496 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . rr_1jdk 1
. 19 . 3728 . 1 1 9 LEU C C 3.838 -1.545 -1.962 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . rr_1jdk 1
. 19 . 3729 . 1 1 9 LEU CA C 3.545 -3.069 -2.088 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . rr_1jdk 1
. 19 . 3730 . 1 1 9 LEU CB C 4.715 -3.956 -2.617 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . rr_1jdk 1
. 19 . 3731 . 1 1 9 LEU CD1 C 5.877 -4.563 -0.390 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . rr_1jdk 1
. 19 . 3732 . 1 1 9 LEU CD2 C 7.153 -4.683 -2.562 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . rr_1jdk 1
. 19 . 3733 . 1 1 9 LEU CG C 6.036 -3.948 -1.796 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . rr_1jdk 1
. 19 . 3734 . 1 1 9 LEU H H 2.250 -2.830 -3.866 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . rr_1jdk 1
. 19 . 3735 . 1 1 9 LEU HA H 3.325 -3.417 -1.060 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . rr_1jdk 1
. 19 . 3736 . 1 1 9 LEU HB2 H 4.365 -5.004 -2.704 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . rr_1jdk 1
. 19 . 3737 . 1 1 9 LEU HB3 H 4.940 -3.654 -3.660 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . rr_1jdk 1
. 19 . 3738 . 1 1 9 LEU HD11 H 5.154 -4.001 0.227 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . rr_1jdk 1
. 19 . 3739 . 1 1 9 LEU HD12 H 5.526 -5.612 -0.433 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . rr_1jdk 1
. 19 . 3740 . 1 1 9 LEU HD13 H 6.833 -4.560 0.168 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . rr_1jdk 1
. 19 . 3741 . 1 1 9 LEU HD21 H 7.335 -4.228 -3.552 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . rr_1jdk 1
. 19 . 3742 . 1 1 9 LEU HD22 H 8.115 -4.648 -2.016 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . rr_1jdk 1
. 19 . 3743 . 1 1 9 LEU HD23 H 6.910 -5.749 -2.731 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . rr_1jdk 1
. 19 . 3744 . 1 1 9 LEU HG H 6.366 -2.899 -1.671 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . rr_1jdk 1
. 19 . 3745 . 1 1 9 LEU N N 2.342 -3.273 -2.945 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . rr_1jdk 1
. 19 . 3746 . 1 1 9 LEU O O 3.594 -0.975 -0.895 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . rr_1jdk 1
. 19 . 3747 . 1 1 10 ILE C C 3.335 1.427 -2.972 . . . 1.0 . . . . . . . . . . . . A . 10 ILE C . . . . . . . . . rr_1jdk 1
. 19 . 3748 . 1 1 10 ILE CA C 4.653 0.582 -3.014 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CA . . . . . . . . . rr_1jdk 1
. 19 . 3749 . 1 1 10 ILE CB C 5.674 1.045 -4.132 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CB . . . . . . . . . rr_1jdk 1
. 19 . 3750 . 1 1 10 ILE CD1 C 7.725 2.622 -4.464 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CD1 . . . . . . . . . rr_1jdk 1
. 19 . 3751 . 1 1 10 ILE CG1 C 6.410 2.353 -3.714 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CG1 . . . . . . . . . rr_1jdk 1
. 19 . 3752 . 1 1 10 ILE CG2 C 5.100 1.203 -5.575 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CG2 . . . . . . . . . rr_1jdk 1
. 19 . 3753 . 1 1 10 ILE H H 4.554 -1.545 -3.793 . . . 1.0 . . . . . . . . . . . . A . 10 ILE H . . . . . . . . . rr_1jdk 1
. 19 . 3754 . 1 1 10 ILE HA H 5.179 0.743 -2.050 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HA . . . . . . . . . rr_1jdk 1
. 19 . 3755 . 1 1 10 ILE HB H 6.473 0.279 -4.187 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HB . . . . . . . . . rr_1jdk 1
. 19 . 3756 . 1 1 10 ILE HD11 H 8.228 3.523 -4.070 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD11 . . . . . . . . . rr_1jdk 1
. 19 . 3757 . 1 1 10 ILE HD12 H 8.430 1.776 -4.359 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD12 . . . . . . . . . rr_1jdk 1
. 19 . 3758 . 1 1 10 ILE HD13 H 7.558 2.785 -5.544 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD13 . . . . . . . . . rr_1jdk 1
. 19 . 3759 . 1 1 10 ILE HG12 H 5.738 3.225 -3.820 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG12 . . . . . . . . . rr_1jdk 1
. 19 . 3760 . 1 1 10 ILE HG13 H 6.663 2.316 -2.637 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG13 . . . . . . . . . rr_1jdk 1
. 19 . 3761 . 1 1 10 ILE HG21 H 5.889 1.405 -6.326 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG21 . . . . . . . . . rr_1jdk 1
. 19 . 3762 . 1 1 10 ILE HG22 H 4.569 0.302 -5.928 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG22 . . . . . . . . . rr_1jdk 1
. 19 . 3763 . 1 1 10 ILE HG23 H 4.392 2.052 -5.660 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG23 . . . . . . . . . rr_1jdk 1
. 19 . 3764 . 1 1 10 ILE N N 4.348 -0.889 -3.030 . . . 1.0 . . . . . . . . . . . . A . 10 ILE N . . . . . . . . . rr_1jdk 1
. 19 . 3765 . 1 1 10 ILE O O 2.391 1.133 -3.712 . . . 1.0 . . . . . . . . . . . . A . 10 ILE O . . . . . . . . . rr_1jdk 1
. 19 . 3766 . 1 1 11 . C C 1.555 3.976 -3.330 . . . 1.0 . . . . . . . . . . . . A . 11 DAB C . . . . . . . . . rr_1jdk 1
. 19 . 3767 . 1 1 11 . CA C 2.090 3.367 -1.990 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CA . . . . . . . . . rr_1jdk 1
. 19 . 3768 . 1 1 11 . CB C 2.357 4.437 -0.884 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CB . . . . . . . . . rr_1jdk 1
. 19 . 3769 . 1 1 11 . CG C 1.123 5.050 -0.178 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CG . . . . . . . . . rr_1jdk 1
. 19 . 3770 . 1 1 11 . H H 4.092 2.574 -1.495 . . . 1.0 . . . . . . . . . . . . A . 11 DAB H . . . . . . . . . rr_1jdk 1
. 19 . 3771 . 1 1 11 . HA H 1.283 2.714 -1.602 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HA . . . . . . . . . rr_1jdk 1
. 19 . 3772 . 1 1 11 . HB2 H 2.956 3.977 -0.072 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HB2 . . . . . . . . . rr_1jdk 1
. 19 . 3773 . 1 1 11 . HB3 H 3.007 5.243 -1.275 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HB3 . . . . . . . . . rr_1jdk 1
. 19 . 3774 . 1 1 11 . HD2 H 0.468 5.974 -2.060 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HD2 . . . . . . . . . rr_1jdk 1
. 19 . 3775 . 1 1 11 . HG2 H 0.498 4.240 0.246 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HG2 . . . . . . . . . rr_1jdk 1
. 19 . 3776 . 1 1 11 . HG3 H 1.470 5.641 0.693 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HG3 . . . . . . . . . rr_1jdk 1
. 19 . 3777 . 1 1 11 . N N 3.287 2.481 -2.127 . . . 1.0 . . . . . . . . . . . . A . 11 DAB N . . . . . . . . . rr_1jdk 1
. 19 . 3778 . 1 1 11 . ND N 0.300 5.912 -1.051 . . . 1.0 . . . . . . . . . . . . A . 11 DAB ND . . . . . . . . . rr_1jdk 1
. 19 . 3779 . 1 1 11 . O O 0.348 3.909 -3.563 . . . 1.0 . . . . . . . . . . . . A . 11 DAB O . . . . . . . . . rr_1jdk 1
. 19 . 3780 . 1 1 12 THR C C 1.816 3.971 -6.570 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_1jdk 1
. 19 . 3781 . 1 1 12 THR CA C 1.976 5.113 -5.512 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_1jdk 1
. 19 . 3782 . 1 1 12 THR CB C 2.895 6.308 -5.919 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_1jdk 1
. 19 . 3783 . 1 1 12 THR CG2 C 4.395 6.026 -6.142 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_1jdk 1
. 19 . 3784 . 1 1 12 THR H H 3.404 4.482 -3.947 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_1jdk 1
. 19 . 3785 . 1 1 12 THR HA H 0.981 5.582 -5.370 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_1jdk 1
. 19 . 3786 . 1 1 12 THR HB H 2.827 7.070 -5.117 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_1jdk 1
. 19 . 3787 . 1 1 12 THR HG1 H 3.001 7.605 -7.337 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG1 . . . . . . . . . rr_1jdk 1
. 19 . 3788 . 1 1 12 THR HG21 H 4.950 6.958 -6.351 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_1jdk 1
. 19 . 3789 . 1 1 12 THR HG22 H 4.865 5.566 -5.253 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_1jdk 1
. 19 . 3790 . 1 1 12 THR HG23 H 4.573 5.348 -6.995 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_1jdk 1
. 19 . 3791 . 1 1 12 THR N N 2.413 4.542 -4.206 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_1jdk 1
. 19 . 3792 . 1 1 12 THR O O 2.745 3.641 -7.312 . . . 1.0 . . . . . . . . . . . . A . 12 THR O . . . . . . . . . rr_1jdk 1
. 19 . 3793 . 1 1 12 THR OG1 O 2.384 6.906 -7.106 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_1jdk 1
. 19 . 3794 . 1 1 13 THR C C -1.186 2.475 -7.989 . . . 1.0 . . . . . . . . . . . . A . 13 THR C . . . . . . . . . rr_1jdk 1
. 19 . 3795 . 1 1 13 THR CA C 0.285 2.239 -7.529 . . . 1.0 . . . . . . . . . . . . A . 13 THR CA . . . . . . . . . rr_1jdk 1
. 19 . 3796 . 1 1 13 THR CB C 0.541 0.863 -6.835 . . . 1.0 . . . . . . . . . . . . A . 13 THR CB . . . . . . . . . rr_1jdk 1
. 19 . 3797 . 1 1 13 THR CG2 C 0.223 -0.360 -7.706 . . . 1.0 . . . . . . . . . . . . A . 13 THR CG2 . . . . . . . . . rr_1jdk 1
. 19 . 3798 . 1 1 13 THR H H -0.058 3.698 -5.907 . . . 1.0 . . . . . . . . . . . . A . 13 THR H . . . . . . . . . rr_1jdk 1
. 19 . 3799 . 1 1 13 THR HA H 0.944 2.278 -8.422 . . . 1.0 . . . . . . . . . . . . A . 13 THR HA . . . . . . . . . rr_1jdk 1
. 19 . 3800 . 1 1 13 THR HB H -0.072 0.799 -5.917 . . . 1.0 . . . . . . . . . . . . A . 13 THR HB . . . . . . . . . rr_1jdk 1
. 19 . 3801 . 1 1 13 THR HG1 H 2.035 1.317 -5.708 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG1 . . . . . . . . . rr_1jdk 1
. 19 . 3802 . 1 1 13 THR HG21 H 0.801 -0.361 -8.648 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG21 . . . . . . . . . rr_1jdk 1
. 19 . 3803 . 1 1 13 THR HG22 H 0.447 -1.303 -7.177 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG22 . . . . . . . . . rr_1jdk 1
. 19 . 3804 . 1 1 13 THR HG23 H -0.848 -0.389 -7.968 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG23 . . . . . . . . . rr_1jdk 1
. 19 . 3805 . 1 1 13 THR N N 0.618 3.354 -6.599 . . . 1.0 . . . . . . . . . . . . A . 13 THR N . . . . . . . . . rr_1jdk 1
. 19 . 3806 . 1 1 13 THR O O -2.135 1.989 -7.363 . . . 1.0 . . . . . . . . . . . . A . 13 THR O . . . . . . . . . rr_1jdk 1
. 19 . 3807 . 1 1 13 THR OG1 O 1.909 0.736 -6.464 . . . 1.0 . . . . . . . . . . . . A . 13 THR OG1 . . . . . . . . . rr_1jdk 1
. 19 . 3808 . 1 1 14 ALA C C -2.721 3.240 -11.175 . . . 1.0 . . . . . . . . . . . . A . 14 ALA C . . . . . . . . . rr_1jdk 1
. 19 . 3809 . 1 1 14 ALA CA C -2.672 3.575 -9.668 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CA . . . . . . . . . rr_1jdk 1
. 19 . 3810 . 1 1 14 ALA CB C -2.933 5.076 -9.441 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CB . . . . . . . . . rr_1jdk 1
. 19 . 3811 . 1 1 14 ALA H H -0.475 3.581 -9.503 . . . 1.0 . . . . . . . . . . . . A . 14 ALA H . . . . . . . . . rr_1jdk 1
. 19 . 3812 . 1 1 14 ALA HXT H -3.957 2.535 -12.489 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HXT . . . . . . . . . rr_1jdk 1
. 19 . 3813 . 1 1 14 ALA HA H -3.479 3.011 -9.161 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HA . . . . . . . . . rr_1jdk 1
. 19 . 3814 . 1 1 14 ALA HB1 H -2.894 5.340 -8.367 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB1 . . . . . . . . . rr_1jdk 1
. 19 . 3815 . 1 1 14 ALA HB2 H -2.194 5.716 -9.959 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB2 . . . . . . . . . rr_1jdk 1
. 19 . 3816 . 1 1 14 ALA HB3 H -3.934 5.372 -9.804 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB3 . . . . . . . . . rr_1jdk 1
. 19 . 3817 . 1 1 14 ALA N N -1.348 3.231 -9.092 . . . 1.0 . . . . . . . . . . . . A . 14 ALA N . . . . . . . . . rr_1jdk 1
. 19 . 3818 . 1 1 14 ALA O O -1.795 3.434 -11.964 . . . 1.0 . . . . . . . . . . . . A . 14 ALA O . . . . . . . . . rr_1jdk 1
. 19 . 3819 . 1 1 14 ALA OXT O -3.934 2.723 -11.548 . . . 1.0 . . . . . . . . . . . . A . 14 ALA OXT . . . . . . . . . rr_1jdk 1
. 20 . 3820 . 1 1 1 ACE C C -4.815 5.666 8.253 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . rr_1jdk 1
. 20 . 3821 . 1 1 1 ACE CH3 C -4.863 4.605 9.349 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . rr_1jdk 1
. 20 . 3822 . 1 1 1 ACE H1 H -5.556 4.901 10.158 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . rr_1jdk 1
. 20 . 3823 . 1 1 1 ACE H2 H -5.214 3.632 8.957 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . rr_1jdk 1
. 20 . 3824 . 1 1 1 ACE H3 H -3.870 4.451 9.808 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . rr_1jdk 1
. 20 . 3825 . 1 1 1 ACE O O -5.486 6.696 8.349 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . rr_1jdk 1
. 20 . 3826 . 1 1 2 ILE C C -3.622 5.450 4.766 . . . 1.0 . . . . . . . . . . . . A . 2 ILE C . . . . . . . . . rr_1jdk 1
. 20 . 3827 . 1 1 2 ILE CA C -3.829 6.310 6.058 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CA . . . . . . . . . rr_1jdk 1
. 20 . 3828 . 1 1 2 ILE CB C -2.762 7.436 6.363 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CB . . . . . . . . . rr_1jdk 1
. 20 . 3829 . 1 1 2 ILE CD1 C -4.054 9.594 5.750 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CD1 . . . . . . . . . rr_1jdk 1
. 20 . 3830 . 1 1 2 ILE CG1 C -2.878 8.664 5.416 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG1 . . . . . . . . . rr_1jdk 1
. 20 . 3831 . 1 1 2 ILE CG2 C -1.279 6.991 6.452 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG2 . . . . . . . . . rr_1jdk 1
. 20 . 3832 . 1 1 2 ILE H H -3.551 4.474 7.287 . . . 1.0 . . . . . . . . . . . . A . 2 ILE H . . . . . . . . . rr_1jdk 1
. 20 . 3833 . 1 1 2 ILE HA H -4.791 6.842 5.919 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HA . . . . . . . . . rr_1jdk 1
. 20 . 3834 . 1 1 2 ILE HB H -2.987 7.819 7.379 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HB . . . . . . . . . rr_1jdk 1
. 20 . 3835 . 1 1 2 ILE HD11 H -4.068 10.475 5.084 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD11 . . . . . . . . . rr_1jdk 1
. 20 . 3836 . 1 1 2 ILE HD12 H -5.030 9.087 5.651 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD12 . . . . . . . . . rr_1jdk 1
. 20 . 3837 . 1 1 2 ILE HD13 H -3.983 9.972 6.788 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD13 . . . . . . . . . rr_1jdk 1
. 20 . 3838 . 1 1 2 ILE HG12 H -1.960 9.281 5.465 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG12 . . . . . . . . . rr_1jdk 1
. 20 . 3839 . 1 1 2 ILE HG13 H -2.941 8.335 4.360 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG13 . . . . . . . . . rr_1jdk 1
. 20 . 3840 . 1 1 2 ILE HG21 H -0.633 7.803 6.841 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG21 . . . . . . . . . rr_1jdk 1
. 20 . 3841 . 1 1 2 ILE HG22 H -1.141 6.129 7.128 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG22 . . . . . . . . . rr_1jdk 1
. 20 . 3842 . 1 1 2 ILE HG23 H -0.862 6.712 5.469 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG23 . . . . . . . . . rr_1jdk 1
. 20 . 3843 . 1 1 2 ILE N N -4.002 5.391 7.223 . . . 1.0 . . . . . . . . . . . . A . 2 ILE N . . . . . . . . . rr_1jdk 1
. 20 . 3844 . 1 1 2 ILE O O -2.485 5.150 4.391 . . . 1.0 . . . . . . . . . . . . A . 2 ILE O . . . . . . . . . rr_1jdk 1
. 20 . 3845 . 1 1 3 TRP C C -5.202 5.109 1.697 . . . 1.0 . . . . . . . . . . . . A . 3 TRP C . . . . . . . . . rr_1jdk 1
. 20 . 3846 . 1 1 3 TRP CA C -4.659 4.217 2.847 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CA . . . . . . . . . rr_1jdk 1
. 20 . 3847 . 1 1 3 TRP CB C -5.428 2.870 3.009 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CB . . . . . . . . . rr_1jdk 1
. 20 . 3848 . 1 1 3 TRP CD1 C -4.206 0.755 2.077 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD1 . . . . . . . . . rr_1jdk 1
. 20 . 3849 . 1 1 3 TRP CD2 C -5.780 1.568 0.728 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD2 . . . . . . . . . rr_1jdk 1
. 20 . 3850 . 1 1 3 TRP CE2 C -5.191 0.417 0.140 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE2 . . . . . . . . . rr_1jdk 1
. 20 . 3851 . 1 1 3 TRP CE3 C -6.856 2.230 0.075 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE3 . . . . . . . . . rr_1jdk 1
. 20 . 3852 . 1 1 3 TRP CG C -5.150 1.797 1.944 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CG . . . . . . . . . rr_1jdk 1
. 20 . 3853 . 1 1 3 TRP CH2 C -6.683 0.626 -1.749 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CH2 . . . . . . . . . rr_1jdk 1
. 20 . 3854 . 1 1 3 TRP CZ2 C -5.649 -0.058 -1.108 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ2 . . . . . . . . . rr_1jdk 1
. 20 . 3855 . 1 1 3 TRP CZ3 C -7.279 1.750 -1.164 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ3 . . . . . . . . . rr_1jdk 1
. 20 . 3856 . 1 1 3 TRP H H -5.584 5.547 4.349 . . . 1.0 . . . . . . . . . . . . A . 3 TRP H . . . . . . . . . rr_1jdk 1
. 20 . 3857 . 1 1 3 TRP HA H -3.609 3.927 2.640 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HA . . . . . . . . . rr_1jdk 1
. 20 . 3858 . 1 1 3 TRP HB2 H -5.168 2.419 3.984 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB2 . . . . . . . . . rr_1jdk 1
. 20 . 3859 . 1 1 3 TRP HB3 H -6.518 3.042 3.055 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB3 . . . . . . . . . rr_1jdk 1
. 20 . 3860 . 1 1 3 TRP HD1 H -3.571 0.617 2.939 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HD1 . . . . . . . . . rr_1jdk 1
. 20 . 3861 . 1 1 3 TRP HE1 H -3.660 -0.963 0.827 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE1 . . . . . . . . . rr_1jdk 1
. 20 . 3862 . 1 1 3 TRP HE3 H -7.366 3.067 0.527 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE3 . . . . . . . . . rr_1jdk 1
. 20 . 3863 . 1 1 3 TRP HH2 H -7.036 0.276 -2.708 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HH2 . . . . . . . . . rr_1jdk 1
. 20 . 3864 . 1 1 3 TRP HZ2 H -5.210 -0.934 -1.564 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ2 . . . . . . . . . rr_1jdk 1
. 20 . 3865 . 1 1 3 TRP HZ3 H -8.091 2.247 -1.675 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ3 . . . . . . . . . rr_1jdk 1
. 20 . 3866 . 1 1 3 TRP N N -4.725 5.043 4.093 . . . 1.0 . . . . . . . . . . . . A . 3 TRP N . . . . . . . . . rr_1jdk 1
. 20 . 3867 . 1 1 3 TRP NE1 N -4.211 -0.109 0.967 . . . 1.0 . . . . . . . . . . . . A . 3 TRP NE1 . . . . . . . . . rr_1jdk 1
. 20 . 3868 . 1 1 3 TRP O O -6.417 5.284 1.552 . . . 1.0 . . . . . . . . . . . . A . 3 TRP O . . . . . . . . . rr_1jdk 1
. 20 . 3869 . 1 1 4 GLY C C -4.507 5.851 -1.586 . . . 1.0 . . . . . . . . . . . . A . 4 GLY C . . . . . . . . . rr_1jdk 1
. 20 . 3870 . 1 1 4 GLY CA C -4.648 6.567 -0.233 . . . 1.0 . . . . . . . . . . . . A . 4 GLY CA . . . . . . . . . rr_1jdk 1
. 20 . 3871 . 1 1 4 GLY H H -3.315 5.430 1.143 . . . 1.0 . . . . . . . . . . . . A . 4 GLY H . . . . . . . . . rr_1jdk 1
. 20 . 3872 . 1 1 4 GLY HA2 H -5.683 6.957 -0.146 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA2 . . . . . . . . . rr_1jdk 1
. 20 . 3873 . 1 1 4 GLY HA3 H -4.021 7.479 -0.203 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA3 . . . . . . . . . rr_1jdk 1
. 20 . 3874 . 1 1 4 GLY N N -4.284 5.684 0.904 . . . 1.0 . . . . . . . . . . . . A . 4 GLY N . . . . . . . . . rr_1jdk 1
. 20 . 3875 . 1 1 4 GLY O O -5.469 5.253 -2.075 . . . 1.0 . . . . . . . . . . . . A . 4 GLY O . . . . . . . . . rr_1jdk 1
. 20 . 3876 . 1 1 5 GLU C C -2.008 4.140 -3.161 . . . 1.0 . . . . . . . . . . . . A . 5 GLU C . . . . . . . . . rr_1jdk 1
. 20 . 3877 . 1 1 5 GLU CA C -2.989 5.299 -3.484 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CA . . . . . . . . . rr_1jdk 1
. 20 . 3878 . 1 1 5 GLU CB C -2.445 6.374 -4.476 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CB . . . . . . . . . rr_1jdk 1
. 20 . 3879 . 1 1 5 GLU CD C -1.185 4.883 -6.301 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CD . . . . . . . . . rr_1jdk 1
. 20 . 3880 . 1 1 5 GLU CG C -2.213 5.978 -5.953 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CG . . . . . . . . . rr_1jdk 1
. 20 . 3881 . 1 1 5 GLU H H -2.578 6.296 -1.542 . . . 1.0 . . . . . . . . . . . . A . 5 GLU H . . . . . . . . . rr_1jdk 1
. 20 . 3882 . 1 1 5 GLU HA H -3.906 4.884 -3.951 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HA . . . . . . . . . rr_1jdk 1
. 20 . 3883 . 1 1 5 GLU HB2 H -3.159 7.219 -4.507 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB2 . . . . . . . . . rr_1jdk 1
. 20 . 3884 . 1 1 5 GLU HB3 H -1.516 6.825 -4.102 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB3 . . . . . . . . . rr_1jdk 1
. 20 . 3885 . 1 1 5 GLU HG2 H -3.188 5.688 -6.387 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG2 . . . . . . . . . rr_1jdk 1
. 20 . 3886 . 1 1 5 GLU HG3 H -1.933 6.888 -6.517 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG3 . . . . . . . . . rr_1jdk 1
. 20 . 3887 . 1 1 5 GLU N N -3.305 5.942 -2.176 . . . 1.0 . . . . . . . . . . . . A . 5 GLU N . . . . . . . . . rr_1jdk 1
. 20 . 3888 . 1 1 5 GLU O O -0.808 4.363 -2.994 . . . 1.0 . . . . . . . . . . . . A . 5 GLU O . . . . . . . . . rr_1jdk 1
. 20 . 3889 . 1 1 5 GLU OE1 O -1.591 3.876 -6.888 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE1 . . . . . . . . . rr_1jdk 1
. 20 . 3890 . 1 1 6 SER C C -2.488 0.383 -3.093 . . . 1.0 . . . . . . . . . . . . A . 6 SER C . . . . . . . . . rr_1jdk 1
. 20 . 3891 . 1 1 6 SER CA C -1.716 1.697 -2.724 . . . 1.0 . . . . . . . . . . . . A . 6 SER CA . . . . . . . . . rr_1jdk 1
. 20 . 3892 . 1 1 6 SER CB C -1.195 1.736 -1.258 . . . 1.0 . . . . . . . . . . . . A . 6 SER CB . . . . . . . . . rr_1jdk 1
. 20 . 3893 . 1 1 6 SER H H -3.547 2.855 -3.172 . . . 1.0 . . . . . . . . . . . . A . 6 SER H . . . . . . . . . rr_1jdk 1
. 20 . 3894 . 1 1 6 SER HA H -0.830 1.732 -3.389 . . . 1.0 . . . . . . . . . . . . A . 6 SER HA . . . . . . . . . rr_1jdk 1
. 20 . 3895 . 1 1 6 SER HB2 H -0.600 0.835 -1.023 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB2 . . . . . . . . . rr_1jdk 1
. 20 . 3896 . 1 1 6 SER HB3 H -0.493 2.581 -1.120 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB3 . . . . . . . . . rr_1jdk 1
. 20 . 3897 . 1 1 6 SER HG H -2.843 1.123 -0.454 . . . 1.0 . . . . . . . . . . . . A . 6 SER HG . . . . . . . . . rr_1jdk 1
. 20 . 3898 . 1 1 6 SER N N -2.531 2.909 -3.035 . . . 1.0 . . . . . . . . . . . . A . 6 SER N . . . . . . . . . rr_1jdk 1
. 20 . 3899 . 1 1 6 SER O O -3.626 0.423 -3.581 . . . 1.0 . . . . . . . . . . . . A . 6 SER O . . . . . . . . . rr_1jdk 1
. 20 . 3900 . 1 1 6 SER OG O -2.252 1.867 -0.315 . . . 1.0 . . . . . . . . . . . . A . 6 SER OG . . . . . . . . . rr_1jdk 1
. 20 . 3901 . 1 1 7 GLY C C -1.514 -3.268 -3.189 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . rr_1jdk 1
. 20 . 3902 . 1 1 7 GLY CA C -2.505 -2.093 -3.216 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . rr_1jdk 1
. 20 . 3903 . 1 1 7 GLY H H -0.973 -0.765 -2.381 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . rr_1jdk 1
. 20 . 3904 . 1 1 7 GLY HA2 H -3.317 -2.289 -2.492 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . rr_1jdk 1
. 20 . 3905 . 1 1 7 GLY HA3 H -3.001 -2.049 -4.205 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . rr_1jdk 1
. 20 . 3906 . 1 1 7 GLY N N -1.864 -0.797 -2.891 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . rr_1jdk 1
. 20 . 3907 . 1 1 7 GLY O O -1.506 -4.044 -2.230 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . rr_1jdk 1
. 20 . 3908 . 1 1 8 LYS C C 1.530 -4.359 -3.393 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . rr_1jdk 1
. 20 . 3909 . 1 1 8 LYS CA C 0.318 -4.481 -4.372 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . rr_1jdk 1
. 20 . 3910 . 1 1 8 LYS CB C 0.721 -4.601 -5.870 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . rr_1jdk 1
. 20 . 3911 . 1 1 8 LYS CD C 1.937 -5.919 -7.719 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . rr_1jdk 1
. 20 . 3912 . 1 1 8 LYS CE C 2.765 -7.155 -8.121 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . rr_1jdk 1
. 20 . 3913 . 1 1 8 LYS CG C 1.572 -5.843 -6.221 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . rr_1jdk 1
. 20 . 3914 . 1 1 8 LYS H H -0.809 -2.674 -4.970 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . rr_1jdk 1
. 20 . 3915 . 1 1 8 LYS HA H -0.199 -5.430 -4.120 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . rr_1jdk 1
. 20 . 3916 . 1 1 8 LYS HB2 H -0.193 -4.630 -6.496 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . rr_1jdk 1
. 20 . 3917 . 1 1 8 LYS HB3 H 1.259 -3.686 -6.188 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . rr_1jdk 1
. 20 . 3918 . 1 1 8 LYS HD2 H 1.001 -5.928 -8.310 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . rr_1jdk 1
. 20 . 3919 . 1 1 8 LYS HD3 H 2.463 -4.996 -8.032 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . rr_1jdk 1
. 20 . 3920 . 1 1 8 LYS HE2 H 2.274 -8.083 -7.770 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . rr_1jdk 1
. 20 . 3921 . 1 1 8 LYS HE3 H 2.792 -7.234 -9.224 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . rr_1jdk 1
. 20 . 3922 . 1 1 8 LYS HG2 H 2.499 -5.840 -5.617 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . rr_1jdk 1
. 20 . 3923 . 1 1 8 LYS HG3 H 1.026 -6.760 -5.926 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . rr_1jdk 1
. 20 . 3924 . 1 1 8 LYS HZ1 H 4.621 -6.257 -7.950 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . rr_1jdk 1
. 20 . 3925 . 1 1 8 LYS HZ2 H 4.157 -7.045 -6.595 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . rr_1jdk 1
. 20 . 3926 . 1 1 8 LYS N N -0.688 -3.390 -4.244 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . rr_1jdk 1
. 20 . 3927 . 1 1 8 LYS NZ N 4.153 -7.108 -7.620 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . rr_1jdk 1
. 20 . 3928 . 1 1 8 LYS O O 1.736 -5.276 -2.593 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . rr_1jdk 1
. 20 . 3929 . 1 1 9 LEU C C 3.352 -1.678 -1.887 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . rr_1jdk 1
. 20 . 3930 . 1 1 9 LEU CA C 3.507 -3.066 -2.577 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . rr_1jdk 1
. 20 . 3931 . 1 1 9 LEU CB C 4.802 -3.380 -3.401 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . rr_1jdk 1
. 20 . 3932 . 1 1 9 LEU CD1 C 7.107 -4.467 -3.455 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . rr_1jdk 1
. 20 . 3933 . 1 1 9 LEU CD2 C 6.784 -2.460 -1.986 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . rr_1jdk 1
. 20 . 3934 . 1 1 9 LEU CG C 6.091 -3.693 -2.590 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . rr_1jdk 1
. 20 . 3935 . 1 1 9 LEU H H 2.043 -2.574 -4.163 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . rr_1jdk 1
. 20 . 3936 . 1 1 9 LEU HA H 3.481 -3.802 -1.748 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . rr_1jdk 1
. 20 . 3937 . 1 1 9 LEU HB2 H 4.589 -4.275 -4.019 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . rr_1jdk 1
. 20 . 3938 . 1 1 9 LEU HB3 H 4.997 -2.584 -4.146 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . rr_1jdk 1
. 20 . 3939 . 1 1 9 LEU HD11 H 7.447 -3.876 -4.327 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . rr_1jdk 1
. 20 . 3940 . 1 1 9 LEU HD12 H 8.007 -4.750 -2.878 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . rr_1jdk 1
. 20 . 3941 . 1 1 9 LEU HD13 H 6.678 -5.409 -3.846 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . rr_1jdk 1
. 20 . 3942 . 1 1 9 LEU HD21 H 6.151 -1.967 -1.227 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . rr_1jdk 1
. 20 . 3943 . 1 1 9 LEU HD22 H 7.725 -2.727 -1.467 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . rr_1jdk 1
. 20 . 3944 . 1 1 9 LEU HD23 H 7.039 -1.706 -2.755 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . rr_1jdk 1
. 20 . 3945 . 1 1 9 LEU HG H 5.802 -4.346 -1.751 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . rr_1jdk 1
. 20 . 3946 . 1 1 9 LEU N N 2.323 -3.266 -3.460 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . rr_1jdk 1
. 20 . 3947 . 1 1 9 LEU O O 2.627 -1.588 -0.890 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . rr_1jdk 1
. 20 . 3948 . 1 1 10 ILE C C 3.986 1.828 -2.943 . . . 1.0 . . . . . . . . . . . . A . 10 ILE C . . . . . . . . . rr_1jdk 1
. 20 . 3949 . 1 1 10 ILE CA C 3.910 0.756 -1.807 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CA . . . . . . . . . rr_1jdk 1
. 20 . 3950 . 1 1 10 ILE CB C 4.885 0.972 -0.579 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CB . . . . . . . . . rr_1jdk 1
. 20 . 3951 . 1 1 10 ILE CD1 C 3.224 1.774 1.255 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CD1 . . . . . . . . . rr_1jdk 1
. 20 . 3952 . 1 1 10 ILE CG1 C 4.434 2.117 0.375 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CG1 . . . . . . . . . rr_1jdk 1
. 20 . 3953 . 1 1 10 ILE CG2 C 6.389 1.172 -0.905 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CG2 . . . . . . . . . rr_1jdk 1
. 20 . 3954 . 1 1 10 ILE H H 4.654 -0.876 -3.143 . . . 1.0 . . . . . . . . . . . . A . 10 ILE H . . . . . . . . . rr_1jdk 1
. 20 . 3955 . 1 1 10 ILE HA H 2.889 0.840 -1.383 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HA . . . . . . . . . rr_1jdk 1
. 20 . 3956 . 1 1 10 ILE HB H 4.850 0.043 0.024 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HB . . . . . . . . . rr_1jdk 1
. 20 . 3957 . 1 1 10 ILE HD11 H 3.402 0.861 1.854 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD11 . . . . . . . . . rr_1jdk 1
. 20 . 3958 . 1 1 10 ILE HD12 H 3.008 2.591 1.966 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD12 . . . . . . . . . rr_1jdk 1
. 20 . 3959 . 1 1 10 ILE HD13 H 2.309 1.606 0.660 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD13 . . . . . . . . . rr_1jdk 1
. 20 . 3960 . 1 1 10 ILE HG12 H 5.257 2.388 1.065 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG12 . . . . . . . . . rr_1jdk 1
. 20 . 3961 . 1 1 10 ILE HG13 H 4.230 3.042 -0.200 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG13 . . . . . . . . . rr_1jdk 1
. 20 . 3962 . 1 1 10 ILE HG21 H 6.767 0.425 -1.624 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG21 . . . . . . . . . rr_1jdk 1
. 20 . 3963 . 1 1 10 ILE HG22 H 6.600 2.170 -1.332 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG22 . . . . . . . . . rr_1jdk 1
. 20 . 3964 . 1 1 10 ILE HG23 H 7.017 1.086 0.003 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG23 . . . . . . . . . rr_1jdk 1
. 20 . 3965 . 1 1 10 ILE N N 4.004 -0.613 -2.395 . . . 1.0 . . . . . . . . . . . . A . 10 ILE N . . . . . . . . . rr_1jdk 1
. 20 . 3966 . 1 1 10 ILE O O 5.074 2.223 -3.372 . . . 1.0 . . . . . . . . . . . . A . 10 ILE O . . . . . . . . . rr_1jdk 1
. 20 . 3967 . 1 1 11 . C C 2.856 4.770 -3.888 . . . 1.0 . . . . . . . . . . . . A . 11 DAB C . . . . . . . . . rr_1jdk 1
. 20 . 3968 . 1 1 11 . CA C 2.744 3.336 -4.500 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CA . . . . . . . . . rr_1jdk 1
. 20 . 3969 . 1 1 11 . CB C 1.493 3.064 -5.384 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CB . . . . . . . . . rr_1jdk 1
. 20 . 3970 . 1 1 11 . CG C 1.163 4.119 -6.470 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CG . . . . . . . . . rr_1jdk 1
. 20 . 3971 . 1 1 11 . H H 1.980 1.783 -3.141 . . . 1.0 . . . . . . . . . . . . A . 11 DAB H . . . . . . . . . rr_1jdk 1
. 20 . 3972 . 1 1 11 . HA H 3.611 3.219 -5.180 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HA . . . . . . . . . rr_1jdk 1
. 20 . 3973 . 1 1 11 . HB2 H 1.651 2.098 -5.901 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HB2 . . . . . . . . . rr_1jdk 1
. 20 . 3974 . 1 1 11 . HB3 H 0.601 2.881 -4.757 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HB3 . . . . . . . . . rr_1jdk 1
. 20 . 3975 . 1 1 11 . HD2 H 0.377 5.947 -5.517 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HD2 . . . . . . . . . rr_1jdk 1
. 20 . 3976 . 1 1 11 . HG2 H 2.072 4.671 -6.775 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HG2 . . . . . . . . . rr_1jdk 1
. 20 . 3977 . 1 1 11 . HG3 H 0.848 3.604 -7.402 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HG3 . . . . . . . . . rr_1jdk 1
. 20 . 3978 . 1 1 11 . N N 2.820 2.286 -3.443 . . . 1.0 . . . . . . . . . . . . A . 11 DAB N . . . . . . . . . rr_1jdk 1
. 20 . 3979 . 1 1 11 . ND N 0.123 5.085 -6.028 . . . 1.0 . . . . . . . . . . . . A . 11 DAB ND . . . . . . . . . rr_1jdk 1
. 20 . 3980 . 1 1 11 . O O 3.741 5.523 -4.305 . . . 1.0 . . . . . . . . . . . . A . 11 DAB O . . . . . . . . . rr_1jdk 1
. 20 . 3981 . 1 1 12 THR C C 2.024 6.219 -0.734 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_1jdk 1
. 20 . 3982 . 1 1 12 THR CA C 1.990 6.478 -2.274 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_1jdk 1
. 20 . 3983 . 1 1 12 THR CB C 0.851 7.419 -2.763 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_1jdk 1
. 20 . 3984 . 1 1 12 THR CG2 C 0.898 8.838 -2.169 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_1jdk 1
. 20 . 3985 . 1 1 12 THR H H 1.296 4.434 -2.656 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_1jdk 1
. 20 . 3986 . 1 1 12 THR HA H 2.917 6.998 -2.566 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_1jdk 1
. 20 . 3987 . 1 1 12 THR HB H -0.121 6.970 -2.491 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_1jdk 1
. 20 . 3988 . 1 1 12 THR HG1 H 1.758 7.979 -4.367 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG1 . . . . . . . . . rr_1jdk 1
. 20 . 3989 . 1 1 12 THR HG21 H 1.847 9.353 -2.404 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_1jdk 1
. 20 . 3990 . 1 1 12 THR HG22 H 0.076 9.464 -2.564 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_1jdk 1
. 20 . 3991 . 1 1 12 THR HG23 H 0.791 8.826 -1.069 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_1jdk 1
. 20 . 3992 . 1 1 12 THR N N 1.974 5.149 -2.940 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_1jdk 1
. 20 . 3993 . 1 1 12 THR O O 3.069 6.438 -0.115 . . . 1.0 . . . . . . . . . . . . A . 12 THR O . . . . . . . . . rr_1jdk 1
. 20 . 3994 . 1 1 12 THR OG1 O 0.911 7.566 -4.179 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_1jdk 1
. 20 . 3995 . 1 1 13 THR C C -0.258 4.379 1.608 . . . 1.0 . . . . . . . . . . . . A . 13 THR C . . . . . . . . . rr_1jdk 1
. 20 . 3996 . 1 1 13 THR CA C 0.818 5.479 1.336 . . . 1.0 . . . . . . . . . . . . A . 13 THR CA . . . . . . . . . rr_1jdk 1
. 20 . 3997 . 1 1 13 THR CB C 0.611 6.779 2.176 . . . 1.0 . . . . . . . . . . . . A . 13 THR CB . . . . . . . . . rr_1jdk 1
. 20 . 3998 . 1 1 13 THR CG2 C -0.740 7.508 2.023 . . . 1.0 . . . . . . . . . . . . A . 13 THR CG2 . . . . . . . . . rr_1jdk 1
. 20 . 3999 . 1 1 13 THR H H 0.107 5.606 -0.751 . . . 1.0 . . . . . . . . . . . . A . 13 THR H . . . . . . . . . rr_1jdk 1
. 20 . 4000 . 1 1 13 THR HA H 1.804 5.070 1.644 . . . 1.0 . . . . . . . . . . . . A . 13 THR HA . . . . . . . . . rr_1jdk 1
. 20 . 4001 . 1 1 13 THR HB H 1.405 7.498 1.896 . . . 1.0 . . . . . . . . . . . . A . 13 THR HB . . . . . . . . . rr_1jdk 1
. 20 . 4002 . 1 1 13 THR HG1 H 0.649 7.299 4.026 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG1 . . . . . . . . . rr_1jdk 1
. 20 . 4003 . 1 1 13 THR HG21 H -0.763 8.441 2.615 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG21 . . . . . . . . . rr_1jdk 1
. 20 . 4004 . 1 1 13 THR HG22 H -0.938 7.784 0.972 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG22 . . . . . . . . . rr_1jdk 1
. 20 . 4005 . 1 1 13 THR HG23 H -1.586 6.885 2.367 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG23 . . . . . . . . . rr_1jdk 1
. 20 . 4006 . 1 1 13 THR N N 0.903 5.762 -0.124 . . . 1.0 . . . . . . . . . . . . A . 13 THR N . . . . . . . . . rr_1jdk 1
. 20 . 4007 . 1 1 13 THR O O -1.380 4.452 1.095 . . . 1.0 . . . . . . . . . . . . A . 13 THR O . . . . . . . . . rr_1jdk 1
. 20 . 4008 . 1 1 13 THR OG1 O 0.795 6.477 3.553 . . . 1.0 . . . . . . . . . . . . A . 13 THR OG1 . . . . . . . . . rr_1jdk 1
. 20 . 4009 . 1 1 14 ALA C C -1.175 2.267 4.309 . . . 1.0 . . . . . . . . . . . . A . 14 ALA C . . . . . . . . . rr_1jdk 1
. 20 . 4010 . 1 1 14 ALA CA C -0.804 2.256 2.809 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CA . . . . . . . . . rr_1jdk 1
. 20 . 4011 . 1 1 14 ALA CB C -0.155 0.917 2.411 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CB . . . . . . . . . rr_1jdk 1
. 20 . 4012 . 1 1 14 ALA H H 1.058 3.449 2.796 . . . 1.0 . . . . . . . . . . . . A . 14 ALA H . . . . . . . . . rr_1jdk 1
. 20 . 4013 . 1 1 14 ALA HXT H 0.740 2.349 4.646 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HXT . . . . . . . . . rr_1jdk 1
. 20 . 4014 . 1 1 14 ALA HA H -1.755 2.325 2.248 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HA . . . . . . . . . rr_1jdk 1
. 20 . 4015 . 1 1 14 ALA HB1 H -0.825 0.063 2.629 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB1 . . . . . . . . . rr_1jdk 1
. 20 . 4016 . 1 1 14 ALA HB2 H 0.060 0.875 1.327 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB2 . . . . . . . . . rr_1jdk 1
. 20 . 4017 . 1 1 14 ALA HB3 H 0.796 0.731 2.942 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB3 . . . . . . . . . rr_1jdk 1
. 20 . 4018 . 1 1 14 ALA N N 0.098 3.380 2.440 . . . 1.0 . . . . . . . . . . . . A . 14 ALA N . . . . . . . . . rr_1jdk 1
. 20 . 4019 . 1 1 14 ALA O O -2.337 2.212 4.709 . . . 1.0 . . . . . . . . . . . . A . 14 ALA O . . . . . . . . . rr_1jdk 1
. 20 . 4020 . 1 1 14 ALA OXT O -0.081 2.316 5.140 . . . 1.0 . . . . . . . . . . . . A . 14 ALA OXT . . . . . . . . . rr_1jdk 1
. 21 . 4021 . 1 1 1 ACE C C 2.741 13.613 0.833 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . rr_1jdk 1
. 21 . 4022 . 1 1 1 ACE CH3 C 4.060 14.059 0.210 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . rr_1jdk 1
. 21 . 4023 . 1 1 1 ACE H1 H 4.879 14.032 0.952 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . rr_1jdk 1
. 21 . 4024 . 1 1 1 ACE H2 H 4.357 13.400 -0.627 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . rr_1jdk 1
. 21 . 4025 . 1 1 1 ACE H3 H 3.999 15.094 -0.173 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . rr_1jdk 1
. 21 . 4026 . 1 1 1 ACE O O 2.691 13.295 2.023 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . rr_1jdk 1
. 21 . 4027 . 1 1 2 ILE C C -0.280 12.552 -0.868 . . . 1.0 . . . . . . . . . . . . A . 2 ILE C . . . . . . . . . rr_1jdk 1
. 21 . 4028 . 1 1 2 ILE CA C 0.313 13.201 0.425 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CA . . . . . . . . . rr_1jdk 1
. 21 . 4029 . 1 1 2 ILE CB C -0.575 14.356 1.059 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CB . . . . . . . . . rr_1jdk 1
. 21 . 4030 . 1 1 2 ILE CD1 C -0.226 13.750 3.622 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CD1 . . . . . . . . . rr_1jdk 1
. 21 . 4031 . 1 1 2 ILE CG1 C -0.198 14.818 2.511 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG1 . . . . . . . . . rr_1jdk 1
. 21 . 4032 . 1 1 2 ILE CG2 C -2.103 14.065 1.044 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG2 . . . . . . . . . rr_1jdk 1
. 21 . 4033 . 1 1 2 ILE H H 1.966 13.656 -0.991 . . . 1.0 . . . . . . . . . . . . A . 2 ILE H . . . . . . . . . rr_1jdk 1
. 21 . 4034 . 1 1 2 ILE HA H 0.399 12.410 1.198 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HA . . . . . . . . . rr_1jdk 1
. 21 . 4035 . 1 1 2 ILE HB H -0.445 15.244 0.411 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HB . . . . . . . . . rr_1jdk 1
. 21 . 4036 . 1 1 2 ILE HD11 H -1.226 13.293 3.731 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD11 . . . . . . . . . rr_1jdk 1
. 21 . 4037 . 1 1 2 ILE HD12 H 0.495 12.935 3.437 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD12 . . . . . . . . . rr_1jdk 1
. 21 . 4038 . 1 1 2 ILE HD13 H 0.035 14.193 4.600 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD13 . . . . . . . . . rr_1jdk 1
. 21 . 4039 . 1 1 2 ILE HG12 H 0.796 15.299 2.521 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG12 . . . . . . . . . rr_1jdk 1
. 21 . 4040 . 1 1 2 ILE HG13 H -0.875 15.639 2.836 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG13 . . . . . . . . . rr_1jdk 1
. 21 . 4041 . 1 1 2 ILE HG21 H -2.691 14.889 1.490 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG21 . . . . . . . . . rr_1jdk 1
. 21 . 4042 . 1 1 2 ILE HG22 H -2.490 13.941 0.016 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG22 . . . . . . . . . rr_1jdk 1
. 21 . 4043 . 1 1 2 ILE HG23 H -2.356 13.142 1.598 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG23 . . . . . . . . . rr_1jdk 1
. 21 . 4044 . 1 1 2 ILE N N 1.690 13.616 0.005 . . . 1.0 . . . . . . . . . . . . A . 2 ILE N . . . . . . . . . rr_1jdk 1
. 21 . 4045 . 1 1 2 ILE O O -0.568 13.256 -1.843 . . . 1.0 . . . . . . . . . . . . A . 2 ILE O . . . . . . . . . rr_1jdk 1
. 21 . 4046 . 1 1 3 TRP C C -1.701 9.184 -1.514 . . . 1.0 . . . . . . . . . . . . A . 3 TRP C . . . . . . . . . rr_1jdk 1
. 21 . 4047 . 1 1 3 TRP CA C -1.014 10.478 -2.041 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CA . . . . . . . . . rr_1jdk 1
. 21 . 4048 . 1 1 3 TRP CB C 0.113 10.180 -3.070 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CB . . . . . . . . . rr_1jdk 1
. 21 . 4049 . 1 1 3 TRP CD1 C -0.431 8.327 -4.841 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD1 . . . . . . . . . rr_1jdk 1
. 21 . 4050 . 1 1 3 TRP CD2 C -0.812 10.410 -5.518 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD2 . . . . . . . . . rr_1jdk 1
. 21 . 4051 . 1 1 3 TRP CE2 C -1.147 9.504 -6.555 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE2 . . . . . . . . . rr_1jdk 1
. 21 . 4052 . 1 1 3 TRP CE3 C -0.959 11.808 -5.709 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE3 . . . . . . . . . rr_1jdk 1
. 21 . 4053 . 1 1 3 TRP CG C -0.365 9.674 -4.435 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CG . . . . . . . . . rr_1jdk 1
. 21 . 4054 . 1 1 3 TRP CH2 C -1.780 11.368 -7.960 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CH2 . . . . . . . . . rr_1jdk 1
. 21 . 4055 . 1 1 3 TRP CZ2 C -1.639 9.989 -7.789 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ2 . . . . . . . . . rr_1jdk 1
. 21 . 4056 . 1 1 3 TRP CZ3 C -1.442 12.263 -6.936 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ3 . . . . . . . . . rr_1jdk 1
. 21 . 4057 . 1 1 3 TRP H H -0.213 10.724 -0.005 . . . 1.0 . . . . . . . . . . . . A . 3 TRP H . . . . . . . . . rr_1jdk 1
. 21 . 4058 . 1 1 3 TRP HA H -1.760 11.126 -2.548 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HA . . . . . . . . . rr_1jdk 1
. 21 . 4059 . 1 1 3 TRP HB2 H 0.697 11.101 -3.246 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB2 . . . . . . . . . rr_1jdk 1
. 21 . 4060 . 1 1 3 TRP HB3 H 0.835 9.462 -2.638 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB3 . . . . . . . . . rr_1jdk 1
. 21 . 4061 . 1 1 3 TRP HD1 H -0.136 7.488 -4.226 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HD1 . . . . . . . . . rr_1jdk 1
. 21 . 4062 . 1 1 3 TRP HE1 H -1.082 7.340 -6.690 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE1 . . . . . . . . . rr_1jdk 1
. 21 . 4063 . 1 1 3 TRP HE3 H -0.694 12.511 -4.931 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE3 . . . . . . . . . rr_1jdk 1
. 21 . 4064 . 1 1 3 TRP HH2 H -2.147 11.752 -8.901 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HH2 . . . . . . . . . rr_1jdk 1
. 21 . 4065 . 1 1 3 TRP HZ2 H -1.893 9.310 -8.590 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ2 . . . . . . . . . rr_1jdk 1
. 21 . 4066 . 1 1 3 TRP HZ3 H -1.554 13.325 -7.102 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ3 . . . . . . . . . rr_1jdk 1
. 21 . 4067 . 1 1 3 TRP N N -0.461 11.214 -0.872 . . . 1.0 . . . . . . . . . . . . A . 3 TRP N . . . . . . . . . rr_1jdk 1
. 21 . 4068 . 1 1 3 TRP NE1 N -0.910 8.199 -6.158 . . . 1.0 . . . . . . . . . . . . A . 3 TRP NE1 . . . . . . . . . rr_1jdk 1
. 21 . 4069 . 1 1 3 TRP O O -1.021 8.256 -1.058 . . . 1.0 . . . . . . . . . . . . A . 3 TRP O . . . . . . . . . rr_1jdk 1
. 21 . 4070 . 1 1 4 GLY C C -4.014 6.881 -2.233 . . . 1.0 . . . . . . . . . . . . A . 4 GLY C . . . . . . . . . rr_1jdk 1
. 21 . 4071 . 1 1 4 GLY CA C -3.814 7.938 -1.127 . . . 1.0 . . . . . . . . . . . . A . 4 GLY CA . . . . . . . . . rr_1jdk 1
. 21 . 4072 . 1 1 4 GLY H H -3.480 9.971 -1.985 . . . 1.0 . . . . . . . . . . . . A . 4 GLY H . . . . . . . . . rr_1jdk 1
. 21 . 4073 . 1 1 4 GLY HA2 H -3.359 7.477 -0.225 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA2 . . . . . . . . . rr_1jdk 1
. 21 . 4074 . 1 1 4 GLY HA3 H -4.810 8.263 -0.775 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA3 . . . . . . . . . rr_1jdk 1
. 21 . 4075 . 1 1 4 GLY N N -3.043 9.124 -1.592 . . . 1.0 . . . . . . . . . . . . A . 4 GLY N . . . . . . . . . rr_1jdk 1
. 21 . 4076 . 1 1 4 GLY O O -4.999 6.937 -2.973 . . . 1.0 . . . . . . . . . . . . A . 4 GLY O . . . . . . . . . rr_1jdk 1
. 21 . 4077 . 1 1 5 GLU C C -2.411 3.599 -2.690 . . . 1.0 . . . . . . . . . . . . A . 5 GLU C . . . . . . . . . rr_1jdk 1
. 21 . 4078 . 1 1 5 GLU CA C -3.108 4.834 -3.336 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CA . . . . . . . . . rr_1jdk 1
. 21 . 4079 . 1 1 5 GLU CB C -2.428 5.325 -4.651 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CB . . . . . . . . . rr_1jdk 1
. 21 . 4080 . 1 1 5 GLU CD C -1.970 3.144 -6.026 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CD . . . . . . . . . rr_1jdk 1
. 21 . 4081 . 1 1 5 GLU CG C -2.671 4.510 -5.945 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CG . . . . . . . . . rr_1jdk 1
. 21 . 4082 . 1 1 5 GLU H H -2.288 6.030 -1.670 . . . 1.0 . . . . . . . . . . . . A . 5 GLU H . . . . . . . . . rr_1jdk 1
. 21 . 4083 . 1 1 5 GLU HA H -4.164 4.591 -3.574 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HA . . . . . . . . . rr_1jdk 1
. 21 . 4084 . 1 1 5 GLU HB2 H -2.797 6.345 -4.872 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB2 . . . . . . . . . rr_1jdk 1
. 21 . 4085 . 1 1 5 GLU HB3 H -1.341 5.455 -4.493 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB3 . . . . . . . . . rr_1jdk 1
. 21 . 4086 . 1 1 5 GLU HG2 H -3.758 4.368 -6.095 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG2 . . . . . . . . . rr_1jdk 1
. 21 . 4087 . 1 1 5 GLU HG3 H -2.362 5.125 -6.814 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG3 . . . . . . . . . rr_1jdk 1
. 21 . 4088 . 1 1 5 GLU N N -3.072 5.925 -2.324 . . . 1.0 . . . . . . . . . . . . A . 5 GLU N . . . . . . . . . rr_1jdk 1
. 21 . 4089 . 1 1 5 GLU O O -1.195 3.622 -2.469 . . . 1.0 . . . . . . . . . . . . A . 5 GLU O . . . . . . . . . rr_1jdk 1
. 21 . 4090 . 1 1 5 GLU OE1 O -2.599 2.116 -5.764 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE1 . . . . . . . . . rr_1jdk 1
. 21 . 4091 . 1 1 6 SER C C -2.848 0.073 -2.706 . . . 1.0 . . . . . . . . . . . . A . 6 SER C . . . . . . . . . rr_1jdk 1
. 21 . 4092 . 1 1 6 SER CA C -2.619 1.293 -1.752 . . . 1.0 . . . . . . . . . . . . A . 6 SER CA . . . . . . . . . rr_1jdk 1
. 21 . 4093 . 1 1 6 SER CB C -3.170 1.075 -0.313 . . . 1.0 . . . . . . . . . . . . A . 6 SER CB . . . . . . . . . rr_1jdk 1
. 21 . 4094 . 1 1 6 SER H H -4.152 2.606 -2.706 . . . 1.0 . . . . . . . . . . . . A . 6 SER H . . . . . . . . . rr_1jdk 1
. 21 . 4095 . 1 1 6 SER HA H -1.534 1.407 -1.551 . . . 1.0 . . . . . . . . . . . . A . 6 SER HA . . . . . . . . . rr_1jdk 1
. 21 . 4096 . 1 1 6 SER HB2 H -2.759 0.140 0.123 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB2 . . . . . . . . . rr_1jdk 1
. 21 . 4097 . 1 1 6 SER HB3 H -2.815 1.869 0.373 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB3 . . . . . . . . . rr_1jdk 1
. 21 . 4098 . 1 1 6 SER HG H -4.906 1.852 -0.634 . . . 1.0 . . . . . . . . . . . . A . 6 SER HG . . . . . . . . . rr_1jdk 1
. 21 . 4099 . 1 1 6 SER N N -3.178 2.536 -2.375 . . . 1.0 . . . . . . . . . . . . A . 6 SER N . . . . . . . . . rr_1jdk 1
. 21 . 4100 . 1 1 6 SER O O -3.844 -0.642 -2.548 . . . 1.0 . . . . . . . . . . . . A . 6 SER O . . . . . . . . . rr_1jdk 1
. 21 . 4101 . 1 1 6 SER OG O -4.594 1.020 -0.272 . . . 1.0 . . . . . . . . . . . . A . 6 SER OG . . . . . . . . . rr_1jdk 1
. 21 . 4102 . 1 1 7 GLY C C -1.552 -2.650 -4.068 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . rr_1jdk 1
. 21 . 4103 . 1 1 7 GLY CA C -2.113 -1.329 -4.629 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . rr_1jdk 1
. 21 . 4104 . 1 1 7 GLY H H -1.263 0.535 -3.934 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . rr_1jdk 1
. 21 . 4105 . 1 1 7 GLY HA2 H -3.178 -1.470 -4.899 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . rr_1jdk 1
. 21 . 4106 . 1 1 7 GLY HA3 H -1.622 -1.073 -5.587 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . rr_1jdk 1
. 21 . 4107 . 1 1 7 GLY N N -1.953 -0.187 -3.696 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . rr_1jdk 1
. 21 . 4108 . 1 1 7 GLY O O -2.280 -3.377 -3.387 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . rr_1jdk 1
. 21 . 4109 . 1 1 8 LYS C C 1.256 -3.862 -2.615 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . rr_1jdk 1
. 21 . 4110 . 1 1 8 LYS CA C 0.401 -4.186 -3.880 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . rr_1jdk 1
. 21 . 4111 . 1 1 8 LYS CB C 1.132 -4.865 -5.075 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . rr_1jdk 1
. 21 . 4112 . 1 1 8 LYS CD C 2.461 -6.941 -5.924 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . rr_1jdk 1
. 21 . 4113 . 1 1 8 LYS CE C 1.700 -7.280 -7.222 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . rr_1jdk 1
. 21 . 4114 . 1 1 8 LYS CG C 1.645 -6.295 -4.780 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . rr_1jdk 1
. 21 . 4115 . 1 1 8 LYS H H 0.214 -2.247 -4.929 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . rr_1jdk 1
. 21 . 4116 . 1 1 8 LYS HA H -0.368 -4.918 -3.555 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . rr_1jdk 1
. 21 . 4117 . 1 1 8 LYS HB2 H 0.442 -4.923 -5.940 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . rr_1jdk 1
. 21 . 4118 . 1 1 8 LYS HB3 H 1.971 -4.231 -5.419 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . rr_1jdk 1
. 21 . 4119 . 1 1 8 LYS HD2 H 3.307 -6.273 -6.174 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . rr_1jdk 1
. 21 . 4120 . 1 1 8 LYS HD3 H 2.944 -7.859 -5.539 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . rr_1jdk 1
. 21 . 4121 . 1 1 8 LYS HE2 H 1.205 -6.382 -7.634 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . rr_1jdk 1
. 21 . 4122 . 1 1 8 LYS HE3 H 2.425 -7.596 -7.996 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . rr_1jdk 1
. 21 . 4123 . 1 1 8 LYS HG2 H 2.282 -6.273 -3.878 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . rr_1jdk 1
. 21 . 4124 . 1 1 8 LYS HG3 H 0.795 -6.951 -4.509 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . rr_1jdk 1
. 21 . 4125 . 1 1 8 LYS HZ1 H 0.015 -8.086 -6.337 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . rr_1jdk 1
. 21 . 4126 . 1 1 8 LYS HZ2 H 1.158 -9.201 -6.680 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . rr_1jdk 1
. 21 . 4127 . 1 1 8 LYS N N -0.273 -2.947 -4.360 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . rr_1jdk 1
. 21 . 4128 . 1 1 8 LYS NZ N 0.705 -8.357 -7.047 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . rr_1jdk 1
. 21 . 4129 . 1 1 8 LYS O O 0.782 -4.116 -1.504 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . rr_1jdk 1
. 21 . 4130 . 1 1 9 LEU C C 3.636 -1.421 -1.668 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . rr_1jdk 1
. 21 . 4131 . 1 1 9 LEU CA C 3.377 -2.955 -1.634 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . rr_1jdk 1
. 21 . 4132 . 1 1 9 LEU CB C 4.702 -3.787 -1.595 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . rr_1jdk 1
. 21 . 4133 . 1 1 9 LEU CD1 C 6.020 -5.958 -1.784 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . rr_1jdk 1
. 21 . 4134 . 1 1 9 LEU CD2 C 3.809 -5.986 -0.568 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . rr_1jdk 1
. 21 . 4135 . 1 1 9 LEU CG C 4.615 -5.329 -1.707 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . rr_1jdk 1
. 21 . 4136 . 1 1 9 LEU H H 2.751 -3.151 -3.749 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . rr_1jdk 1
. 21 . 4137 . 1 1 9 LEU HA H 2.866 -3.156 -0.671 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . rr_1jdk 1
. 21 . 4138 . 1 1 9 LEU HB2 H 5.361 -3.445 -2.416 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . rr_1jdk 1
. 21 . 4139 . 1 1 9 LEU HB3 H 5.254 -3.524 -0.672 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . rr_1jdk 1
. 21 . 4140 . 1 1 9 LEU HD11 H 5.969 -7.052 -1.934 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . rr_1jdk 1
. 21 . 4141 . 1 1 9 LEU HD12 H 6.605 -5.550 -2.628 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . rr_1jdk 1
. 21 . 4142 . 1 1 9 LEU HD13 H 6.606 -5.781 -0.862 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . rr_1jdk 1
. 21 . 4143 . 1 1 9 LEU HD21 H 2.770 -5.615 -0.532 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . rr_1jdk 1
. 21 . 4144 . 1 1 9 LEU HD22 H 3.745 -7.084 -0.695 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . rr_1jdk 1
. 21 . 4145 . 1 1 9 LEU HD23 H 4.260 -5.794 0.423 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . rr_1jdk 1
. 21 . 4146 . 1 1 9 LEU HG H 4.115 -5.530 -2.670 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . rr_1jdk 1
. 21 . 4147 . 1 1 9 LEU N N 2.479 -3.312 -2.773 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . rr_1jdk 1
. 21 . 4148 . 1 1 9 LEU O O 3.098 -0.688 -0.833 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . rr_1jdk 1
. 21 . 4149 . 1 1 10 ILE C C 4.056 1.001 -4.085 . . . 1.0 . . . . . . . . . . . . A . 10 ILE C . . . . . . . . . rr_1jdk 1
. 21 . 4150 . 1 1 10 ILE CA C 4.799 0.484 -2.814 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CA . . . . . . . . . rr_1jdk 1
. 21 . 4151 . 1 1 10 ILE CB C 6.359 0.711 -2.806 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CB . . . . . . . . . rr_1jdk 1
. 21 . 4152 . 1 1 10 ILE CD1 C 7.573 0.893 -5.103 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CD1 . . . . . . . . . rr_1jdk 1
. 21 . 4153 . 1 1 10 ILE CG1 C 7.192 -0.009 -3.918 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CG1 . . . . . . . . . rr_1jdk 1
. 21 . 4154 . 1 1 10 ILE CG2 C 6.969 0.432 -1.408 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CG2 . . . . . . . . . rr_1jdk 1
. 21 . 4155 . 1 1 10 ILE H H 4.840 -1.692 -3.233 . . . 1.0 . . . . . . . . . . . . A . 10 ILE H . . . . . . . . . rr_1jdk 1
. 21 . 4156 . 1 1 10 ILE HA H 4.420 1.064 -1.946 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HA . . . . . . . . . rr_1jdk 1
. 21 . 4157 . 1 1 10 ILE HB H 6.519 1.795 -2.940 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HB . . . . . . . . . rr_1jdk 1
. 21 . 4158 . 1 1 10 ILE HD11 H 8.211 1.735 -4.780 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD11 . . . . . . . . . rr_1jdk 1
. 21 . 4159 . 1 1 10 ILE HD12 H 8.134 0.328 -5.869 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD12 . . . . . . . . . rr_1jdk 1
. 21 . 4160 . 1 1 10 ILE HD13 H 6.689 1.328 -5.603 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD13 . . . . . . . . . rr_1jdk 1
. 21 . 4161 . 1 1 10 ILE HG12 H 8.135 -0.420 -3.509 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG12 . . . . . . . . . rr_1jdk 1
. 21 . 4162 . 1 1 10 ILE HG13 H 6.652 -0.897 -4.297 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG13 . . . . . . . . . rr_1jdk 1
. 21 . 4163 . 1 1 10 ILE HG21 H 6.913 -0.638 -1.134 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG21 . . . . . . . . . rr_1jdk 1
. 21 . 4164 . 1 1 10 ILE HG22 H 8.034 0.727 -1.359 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG22 . . . . . . . . . rr_1jdk 1
. 21 . 4165 . 1 1 10 ILE HG23 H 6.450 1.000 -0.612 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG23 . . . . . . . . . rr_1jdk 1
. 21 . 4166 . 1 1 10 ILE N N 4.446 -0.952 -2.640 . . . 1.0 . . . . . . . . . . . . A . 10 ILE N . . . . . . . . . rr_1jdk 1
. 21 . 4167 . 1 1 10 ILE O O 4.344 0.567 -5.206 . . . 1.0 . . . . . . . . . . . . A . 10 ILE O . . . . . . . . . rr_1jdk 1
. 21 . 4168 . 1 1 11 . C C 2.058 3.980 -4.689 . . . 1.0 . . . . . . . . . . . . A . 11 DAB C . . . . . . . . . rr_1jdk 1
. 21 . 4169 . 1 1 11 . CA C 2.276 2.477 -5.020 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CA . . . . . . . . . rr_1jdk 1
. 21 . 4170 . 1 1 11 . CB C 0.970 1.646 -5.205 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CB . . . . . . . . . rr_1jdk 1
. 21 . 4171 . 1 1 11 . CG C 0.140 1.925 -6.481 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CG . . . . . . . . . rr_1jdk 1
. 21 . 4172 . 1 1 11 . H H 2.825 2.099 -2.924 . . . 1.0 . . . . . . . . . . . . A . 11 DAB H . . . . . . . . . rr_1jdk 1
. 21 . 4173 . 1 1 11 . HA H 2.849 2.403 -5.968 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HA . . . . . . . . . rr_1jdk 1
. 21 . 4174 . 1 1 11 . HB2 H 1.244 0.573 -5.244 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HB2 . . . . . . . . . rr_1jdk 1
. 21 . 4175 . 1 1 11 . HB3 H 0.326 1.731 -4.306 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HB3 . . . . . . . . . rr_1jdk 1
. 21 . 4176 . 1 1 11 . HD2 H -0.293 4.086 -6.579 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HD2 . . . . . . . . . rr_1jdk 1
. 21 . 4177 . 1 1 11 . HG2 H 0.810 2.000 -7.356 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HG2 . . . . . . . . . rr_1jdk 1
. 21 . 4178 . 1 1 11 . HG3 H -0.498 1.046 -6.699 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HG3 . . . . . . . . . rr_1jdk 1
. 21 . 4179 . 1 1 11 . N N 3.067 1.898 -3.901 . . . 1.0 . . . . . . . . . . . . A . 11 DAB N . . . . . . . . . rr_1jdk 1
. 21 . 4180 . 1 1 11 . ND N -0.681 3.155 -6.396 . . . 1.0 . . . . . . . . . . . . A . 11 DAB ND . . . . . . . . . rr_1jdk 1
. 21 . 4181 . 1 1 11 . O O 1.136 4.333 -3.948 . . . 1.0 . . . . . . . . . . . . A . 11 DAB O . . . . . . . . . rr_1jdk 1
. 21 . 4182 . 1 1 12 THR C C 3.401 7.125 -6.198 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_1jdk 1
. 21 . 4183 . 1 1 12 THR CA C 2.831 6.330 -4.986 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_1jdk 1
. 21 . 4184 . 1 1 12 THR CB C 3.436 6.757 -3.611 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_1jdk 1
. 21 . 4185 . 1 1 12 THR CG2 C 4.949 6.546 -3.416 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_1jdk 1
. 21 . 4186 . 1 1 12 THR H H 3.672 4.450 -5.796 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_1jdk 1
. 21 . 4187 . 1 1 12 THR HA H 1.753 6.568 -4.914 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_1jdk 1
. 21 . 4188 . 1 1 12 THR HB H 2.921 6.178 -2.820 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_1jdk 1
. 21 . 4189 . 1 1 12 THR HG1 H 3.550 8.342 -2.527 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG1 . . . . . . . . . rr_1jdk 1
. 21 . 4190 . 1 1 12 THR HG21 H 5.267 6.831 -2.395 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_1jdk 1
. 21 . 4191 . 1 1 12 THR HG22 H 5.235 5.488 -3.560 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_1jdk 1
. 21 . 4192 . 1 1 12 THR HG23 H 5.545 7.151 -4.124 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_1jdk 1
. 21 . 4193 . 1 1 12 THR N N 2.922 4.862 -5.228 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_1jdk 1
. 21 . 4194 . 1 1 12 THR O O 4.540 6.905 -6.624 . . . 1.0 . . . . . . . . . . . . A . 12 THR O . . . . . . . . . rr_1jdk 1
. 21 . 4195 . 1 1 12 THR OG1 O 3.148 8.131 -3.372 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_1jdk 1
. 21 . 4196 . 1 1 13 THR C C 2.509 10.375 -7.576 . . . 1.0 . . . . . . . . . . . . A . 13 THR C . . . . . . . . . rr_1jdk 1
. 21 . 4197 . 1 1 13 THR CA C 2.979 8.919 -7.890 . . . 1.0 . . . . . . . . . . . . A . 13 THR CA . . . . . . . . . rr_1jdk 1
. 21 . 4198 . 1 1 13 THR CB C 2.450 8.377 -9.258 . . . 1.0 . . . . . . . . . . . . A . 13 THR CB . . . . . . . . . rr_1jdk 1
. 21 . 4199 . 1 1 13 THR CG2 C 3.116 7.075 -9.737 . . . 1.0 . . . . . . . . . . . . A . 13 THR CG2 . . . . . . . . . rr_1jdk 1
. 21 . 4200 . 1 1 13 THR H H 1.681 8.156 -6.270 . . . 1.0 . . . . . . . . . . . . A . 13 THR H . . . . . . . . . rr_1jdk 1
. 21 . 4201 . 1 1 13 THR HA H 4.084 8.961 -7.977 . . . 1.0 . . . . . . . . . . . . A . 13 THR HA . . . . . . . . . rr_1jdk 1
. 21 . 4202 . 1 1 13 THR HB H 2.657 9.141 -10.031 . . . 1.0 . . . . . . . . . . . . A . 13 THR HB . . . . . . . . . rr_1jdk 1
. 21 . 4203 . 1 1 13 THR HG1 H 0.890 7.514 -8.537 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG1 . . . . . . . . . rr_1jdk 1
. 21 . 4204 . 1 1 13 THR HG21 H 2.746 6.782 -10.736 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG21 . . . . . . . . . rr_1jdk 1
. 21 . 4205 . 1 1 13 THR HG22 H 4.213 7.183 -9.814 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG22 . . . . . . . . . rr_1jdk 1
. 21 . 4206 . 1 1 13 THR HG23 H 2.913 6.231 -9.052 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG23 . . . . . . . . . rr_1jdk 1
. 21 . 4207 . 1 1 13 THR N N 2.589 8.052 -6.739 . . . 1.0 . . . . . . . . . . . . A . 13 THR N . . . . . . . . . rr_1jdk 1
. 21 . 4208 . 1 1 13 THR O O 1.519 10.860 -8.131 . . . 1.0 . . . . . . . . . . . . A . 13 THR O . . . . . . . . . rr_1jdk 1
. 21 . 4209 . 1 1 13 THR OG1 O 1.041 8.169 -9.223 . . . 1.0 . . . . . . . . . . . . A . 13 THR OG1 . . . . . . . . . rr_1jdk 1
. 21 . 4210 . 1 1 14 ALA C C 3.620 13.492 -7.203 . . . 1.0 . . . . . . . . . . . . A . 14 ALA C . . . . . . . . . rr_1jdk 1
. 21 . 4211 . 1 1 14 ALA CA C 2.914 12.468 -6.287 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CA . . . . . . . . . rr_1jdk 1
. 21 . 4212 . 1 1 14 ALA CB C 3.296 12.656 -4.808 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CB . . . . . . . . . rr_1jdk 1
. 21 . 4213 . 1 1 14 ALA H H 4.037 10.570 -6.285 . . . 1.0 . . . . . . . . . . . . A . 14 ALA H . . . . . . . . . rr_1jdk 1
. 21 . 4214 . 1 1 14 ALA HXT H 3.188 14.788 -8.574 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HXT . . . . . . . . . rr_1jdk 1
. 21 . 4215 . 1 1 14 ALA HA H 1.820 12.629 -6.350 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HA . . . . . . . . . rr_1jdk 1
. 21 . 4216 . 1 1 14 ALA HB1 H 2.768 11.937 -4.154 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB1 . . . . . . . . . rr_1jdk 1
. 21 . 4217 . 1 1 14 ALA HB2 H 4.381 12.524 -4.632 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB2 . . . . . . . . . rr_1jdk 1
. 21 . 4218 . 1 1 14 ALA HB3 H 3.029 13.667 -4.447 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB3 . . . . . . . . . rr_1jdk 1
. 21 . 4219 . 1 1 14 ALA N N 3.244 11.078 -6.690 . . . 1.0 . . . . . . . . . . . . A . 14 ALA N . . . . . . . . . rr_1jdk 1
. 21 . 4220 . 1 1 14 ALA O O 4.837 13.682 -7.219 . . . 1.0 . . . . . . . . . . . . A . 14 ALA O . . . . . . . . . rr_1jdk 1
. 21 . 4221 . 1 1 14 ALA OXT O 2.735 14.163 -8.005 . . . 1.0 . . . . . . . . . . . . A . 14 ALA OXT . . . . . . . . . rr_1jdk 1
. 22 . 4222 . 1 1 1 ACE C C 1.804 11.430 -11.566 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . rr_1jdk 1
. 22 . 4223 . 1 1 1 ACE CH3 C 1.958 12.948 -11.545 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . rr_1jdk 1
. 22 . 4224 . 1 1 1 ACE H1 H 3.023 13.247 -11.518 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . rr_1jdk 1
. 22 . 4225 . 1 1 1 ACE H2 H 1.513 13.406 -12.447 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . rr_1jdk 1
. 22 . 4226 . 1 1 1 ACE H3 H 1.455 13.395 -10.667 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . rr_1jdk 1
. 22 . 4227 . 1 1 1 ACE O O 1.247 10.871 -12.513 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . rr_1jdk 1
. 22 . 4228 . 1 1 2 ILE C C 2.160 8.987 -8.826 . . . 1.0 . . . . . . . . . . . . A . 2 ILE C . . . . . . . . . rr_1jdk 1
. 22 . 4229 . 1 1 2 ILE CA C 2.260 9.304 -10.355 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CA . . . . . . . . . rr_1jdk 1
. 22 . 4230 . 1 1 2 ILE CB C 3.415 8.582 -11.156 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CB . . . . . . . . . rr_1jdk 1
. 22 . 4231 . 1 1 2 ILE CD1 C 2.121 6.910 -12.652 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CD1 . . . . . . . . . rr_1jdk 1
. 22 . 4232 . 1 1 2 ILE CG1 C 3.098 7.093 -11.480 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG1 . . . . . . . . . rr_1jdk 1
. 22 . 4233 . 1 1 2 ILE CG2 C 4.843 8.690 -10.564 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG2 . . . . . . . . . rr_1jdk 1
. 22 . 4234 . 1 1 2 ILE H H 2.704 11.396 -9.787 . . . 1.0 . . . . . . . . . . . . A . 2 ILE H . . . . . . . . . rr_1jdk 1
. 22 . 4235 . 1 1 2 ILE HA H 1.311 8.970 -10.819 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HA . . . . . . . . . rr_1jdk 1
. 22 . 4236 . 1 1 2 ILE HB H 3.494 9.092 -12.137 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HB . . . . . . . . . rr_1jdk 1
. 22 . 4237 . 1 1 2 ILE HD11 H 1.135 7.366 -12.452 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD11 . . . . . . . . . rr_1jdk 1
. 22 . 4238 . 1 1 2 ILE HD12 H 2.514 7.372 -13.578 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD12 . . . . . . . . . rr_1jdk 1
. 22 . 4239 . 1 1 2 ILE HD13 H 1.955 5.840 -12.870 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD13 . . . . . . . . . rr_1jdk 1
. 22 . 4240 . 1 1 2 ILE HG12 H 4.024 6.549 -11.750 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG12 . . . . . . . . . rr_1jdk 1
. 22 . 4241 . 1 1 2 ILE HG13 H 2.717 6.575 -10.580 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG13 . . . . . . . . . rr_1jdk 1
. 22 . 4242 . 1 1 2 ILE HG21 H 5.611 8.322 -11.272 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG21 . . . . . . . . . rr_1jdk 1
. 22 . 4243 . 1 1 2 ILE HG22 H 5.112 9.734 -10.321 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG22 . . . . . . . . . rr_1jdk 1
. 22 . 4244 . 1 1 2 ILE HG23 H 4.962 8.095 -9.638 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG23 . . . . . . . . . rr_1jdk 1
. 22 . 4245 . 1 1 2 ILE N N 2.319 10.785 -10.510 . . . 1.0 . . . . . . . . . . . . A . 2 ILE N . . . . . . . . . rr_1jdk 1
. 22 . 4246 . 1 1 2 ILE O O 3.161 9.057 -8.107 . . . 1.0 . . . . . . . . . . . . A . 2 ILE O . . . . . . . . . rr_1jdk 1
. 22 . 4247 . 1 1 3 TRP C C -0.354 7.219 -6.844 . . . 1.0 . . . . . . . . . . . . A . 3 TRP C . . . . . . . . . rr_1jdk 1
. 22 . 4248 . 1 1 3 TRP CA C 0.721 8.345 -6.887 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CA . . . . . . . . . rr_1jdk 1
. 22 . 4249 . 1 1 3 TRP CB C 0.334 9.597 -6.047 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CB . . . . . . . . . rr_1jdk 1
. 22 . 4250 . 1 1 3 TRP CD1 C -1.084 9.024 -3.914 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD1 . . . . . . . . . rr_1jdk 1
. 22 . 4251 . 1 1 3 TRP CD2 C 1.093 9.294 -3.537 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD2 . . . . . . . . . rr_1jdk 1
. 22 . 4252 . 1 1 3 TRP CE2 C 0.440 8.929 -2.331 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE2 . . . . . . . . . rr_1jdk 1
. 22 . 4253 . 1 1 3 TRP CE3 C 2.488 9.542 -3.548 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE3 . . . . . . . . . rr_1jdk 1
. 22 . 4254 . 1 1 3 TRP CG C 0.142 9.338 -4.543 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CG . . . . . . . . . rr_1jdk 1
. 22 . 4255 . 1 1 3 TRP CH2 C 2.559 9.022 -1.170 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CH2 . . . . . . . . . rr_1jdk 1
. 22 . 4256 . 1 1 3 TRP CZ2 C 1.184 8.785 -1.136 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ2 . . . . . . . . . rr_1jdk 1
. 22 . 4257 . 1 1 3 TRP CZ3 C 3.202 9.394 -2.358 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ3 . . . . . . . . . rr_1jdk 1
. 22 . 4258 . 1 1 3 TRP H H 0.163 8.700 -8.984 . . . 1.0 . . . . . . . . . . . . A . 3 TRP H . . . . . . . . . rr_1jdk 1
. 22 . 4259 . 1 1 3 TRP HA H 1.672 7.975 -6.447 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HA . . . . . . . . . rr_1jdk 1
. 22 . 4260 . 1 1 3 TRP HB2 H 1.121 10.366 -6.164 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB2 . . . . . . . . . rr_1jdk 1
. 22 . 4261 . 1 1 3 TRP HB3 H -0.585 10.055 -6.455 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB3 . . . . . . . . . rr_1jdk 1
. 22 . 4262 . 1 1 3 TRP HD1 H -2.036 8.967 -4.424 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HD1 . . . . . . . . . rr_1jdk 1
. 22 . 4263 . 1 1 3 TRP HE1 H -1.637 8.520 -1.853 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE1 . . . . . . . . . rr_1jdk 1
. 22 . 4264 . 1 1 3 TRP HE3 H 2.990 9.862 -4.449 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE3 . . . . . . . . . rr_1jdk 1
. 22 . 4265 . 1 1 3 TRP HH2 H 3.139 8.916 -0.265 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HH2 . . . . . . . . . rr_1jdk 1
. 22 . 4266 . 1 1 3 TRP HZ2 H 0.700 8.502 -0.213 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ2 . . . . . . . . . rr_1jdk 1
. 22 . 4267 . 1 1 3 TRP HZ3 H 4.267 9.574 -2.353 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ3 . . . . . . . . . rr_1jdk 1
. 22 . 4268 . 1 1 3 TRP N N 0.946 8.681 -8.320 . . . 1.0 . . . . . . . . . . . . A . 3 TRP N . . . . . . . . . rr_1jdk 1
. 22 . 4269 . 1 1 3 TRP NE1 N -0.918 8.769 -2.542 . . . 1.0 . . . . . . . . . . . . A . 3 TRP NE1 . . . . . . . . . rr_1jdk 1
. 22 . 4270 . 1 1 3 TRP O O -1.541 7.474 -7.077 . . . 1.0 . . . . . . . . . . . . A . 3 TRP O . . . . . . . . . rr_1jdk 1
. 22 . 4271 . 1 1 4 GLY C C -0.771 4.210 -5.024 . . . 1.0 . . . . . . . . . . . . A . 4 GLY C . . . . . . . . . rr_1jdk 1
. 22 . 4272 . 1 1 4 GLY CA C -0.815 4.813 -6.439 . . . 1.0 . . . . . . . . . . . . A . 4 GLY CA . . . . . . . . . rr_1jdk 1
. 22 . 4273 . 1 1 4 GLY H H 1.092 5.925 -6.374 . . . 1.0 . . . . . . . . . . . . A . 4 GLY H . . . . . . . . . rr_1jdk 1
. 22 . 4274 . 1 1 4 GLY HA2 H -1.859 5.037 -6.742 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA2 . . . . . . . . . rr_1jdk 1
. 22 . 4275 . 1 1 4 GLY HA3 H -0.483 4.047 -7.163 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA3 . . . . . . . . . rr_1jdk 1
. 22 . 4276 . 1 1 4 GLY N N 0.081 5.989 -6.535 . . . 1.0 . . . . . . . . . . . . A . 4 GLY N . . . . . . . . . rr_1jdk 1
. 22 . 4277 . 1 1 4 GLY O O 0.104 3.392 -4.729 . . . 1.0 . . . . . . . . . . . . A . 4 GLY O . . . . . . . . . rr_1jdk 1
. 22 . 4278 . 1 1 5 GLU C C -3.205 3.432 -2.562 . . . 1.0 . . . . . . . . . . . . A . 5 GLU C . . . . . . . . . rr_1jdk 1
. 22 . 4279 . 1 1 5 GLU CA C -1.827 4.140 -2.764 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CA . . . . . . . . . rr_1jdk 1
. 22 . 4280 . 1 1 5 GLU CB C -1.484 5.304 -1.781 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CB . . . . . . . . . rr_1jdk 1
. 22 . 4281 . 1 1 5 GLU CD C -1.136 3.739 0.316 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CD . . . . . . . . . rr_1jdk 1
. 22 . 4282 . 1 1 5 GLU CG C -1.641 5.076 -0.253 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CG . . . . . . . . . rr_1jdk 1
. 22 . 4283 . 1 1 5 GLU H H -2.426 5.242 -4.599 . . . 1.0 . . . . . . . . . . . . A . 5 GLU H . . . . . . . . . rr_1jdk 1
. 22 . 4284 . 1 1 5 GLU HA H -1.054 3.369 -2.569 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HA . . . . . . . . . rr_1jdk 1
. 22 . 4285 . 1 1 5 GLU HB2 H -0.436 5.615 -1.962 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB2 . . . . . . . . . rr_1jdk 1
. 22 . 4286 . 1 1 5 GLU HB3 H -2.086 6.196 -2.037 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB3 . . . . . . . . . rr_1jdk 1
. 22 . 4287 . 1 1 5 GLU HG2 H -1.167 5.916 0.292 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG2 . . . . . . . . . rr_1jdk 1
. 22 . 4288 . 1 1 5 GLU HG3 H -2.712 5.166 0.007 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG3 . . . . . . . . . rr_1jdk 1
. 22 . 4289 . 1 1 5 GLU N N -1.718 4.635 -4.169 . . . 1.0 . . . . . . . . . . . . A . 5 GLU N . . . . . . . . . rr_1jdk 1
. 22 . 4290 . 1 1 5 GLU O O -4.109 3.941 -1.894 . . . 1.0 . . . . . . . . . . . . A . 5 GLU O . . . . . . . . . rr_1jdk 1
. 22 . 4291 . 1 1 5 GLU OE1 O -1.948 2.844 0.567 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE1 . . . . . . . . . rr_1jdk 1
. 22 . 4292 . 1 1 6 SER C C -4.100 -0.057 -3.526 . . . 1.0 . . . . . . . . . . . . A . 6 SER C . . . . . . . . . rr_1jdk 1
. 22 . 4293 . 1 1 6 SER CA C -4.549 1.378 -3.082 . . . 1.0 . . . . . . . . . . . . A . 6 SER CA . . . . . . . . . rr_1jdk 1
. 22 . 4294 . 1 1 6 SER CB C -5.729 1.947 -3.921 . . . 1.0 . . . . . . . . . . . . A . 6 SER CB . . . . . . . . . rr_1jdk 1
. 22 . 4295 . 1 1 6 SER H H -2.574 2.049 -3.835 . . . 1.0 . . . . . . . . . . . . A . 6 SER H . . . . . . . . . rr_1jdk 1
. 22 . 4296 . 1 1 6 SER HA H -4.928 1.384 -2.040 . . . 1.0 . . . . . . . . . . . . A . 6 SER HA . . . . . . . . . rr_1jdk 1
. 22 . 4297 . 1 1 6 SER HB2 H -6.594 1.258 -3.878 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB2 . . . . . . . . . rr_1jdk 1
. 22 . 4298 . 1 1 6 SER HB3 H -6.090 2.895 -3.480 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB3 . . . . . . . . . rr_1jdk 1
. 22 . 4299 . 1 1 6 SER HG H -6.172 2.499 -5.720 . . . 1.0 . . . . . . . . . . . . A . 6 SER HG . . . . . . . . . rr_1jdk 1
. 22 . 4300 . 1 1 6 SER N N -3.328 2.232 -3.159 . . . 1.0 . . . . . . . . . . . . A . 6 SER N . . . . . . . . . rr_1jdk 1
. 22 . 4301 . 1 1 6 SER O O -4.186 -0.360 -4.722 . . . 1.0 . . . . . . . . . . . . A . 6 SER O . . . . . . . . . rr_1jdk 1
. 22 . 4302 . 1 1 6 SER OG O -5.378 2.176 -5.285 . . . 1.0 . . . . . . . . . . . . A . 6 SER OG . . . . . . . . . rr_1jdk 1
. 22 . 4303 . 1 1 7 GLY C C -1.809 -2.243 -3.867 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . rr_1jdk 1
. 22 . 4304 . 1 1 7 GLY CA C -3.120 -2.304 -3.045 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . rr_1jdk 1
. 22 . 4305 . 1 1 7 GLY H H -3.577 -0.734 -1.626 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . rr_1jdk 1
. 22 . 4306 . 1 1 7 GLY HA2 H -2.969 -2.931 -2.147 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . rr_1jdk 1
. 22 . 4307 . 1 1 7 GLY HA3 H -3.905 -2.823 -3.630 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . rr_1jdk 1
. 22 . 4308 . 1 1 7 GLY N N -3.598 -0.955 -2.628 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . rr_1jdk 1
. 22 . 4309 . 1 1 7 GLY O O -1.824 -2.523 -5.068 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . rr_1jdk 1
. 22 . 4310 . 1 1 8 LYS C C 1.773 -2.230 -2.945 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . rr_1jdk 1
. 22 . 4311 . 1 1 8 LYS CA C 0.630 -1.716 -3.869 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . rr_1jdk 1
. 22 . 4312 . 1 1 8 LYS CB C 0.803 -0.196 -4.192 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . rr_1jdk 1
. 22 . 4313 . 1 1 8 LYS CD C 2.071 -0.198 -6.498 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . rr_1jdk 1
. 22 . 4314 . 1 1 8 LYS CE C 1.086 0.535 -7.434 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . rr_1jdk 1
. 22 . 4315 . 1 1 8 LYS CG C 2.046 0.231 -5.013 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . rr_1jdk 1
. 22 . 4316 . 1 1 8 LYS H H -0.832 -1.658 -2.216 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . rr_1jdk 1
. 22 . 4317 . 1 1 8 LYS HA H 0.643 -2.285 -4.821 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . rr_1jdk 1
. 22 . 4318 . 1 1 8 LYS HB2 H -0.096 0.184 -4.717 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . rr_1jdk 1
. 22 . 4319 . 1 1 8 LYS HB3 H 0.819 0.375 -3.242 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . rr_1jdk 1
. 22 . 4320 . 1 1 8 LYS HD2 H 3.100 -0.070 -6.887 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . rr_1jdk 1
. 22 . 4321 . 1 1 8 LYS HD3 H 1.889 -1.286 -6.566 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . rr_1jdk 1
. 22 . 4322 . 1 1 8 LYS HE2 H 1.072 0.028 -8.417 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . rr_1jdk 1
. 22 . 4323 . 1 1 8 LYS HE3 H 0.052 0.464 -7.051 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . rr_1jdk 1
. 22 . 4324 . 1 1 8 LYS HG2 H 2.152 1.330 -4.950 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . rr_1jdk 1
. 22 . 4325 . 1 1 8 LYS HG3 H 2.956 -0.151 -4.518 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . rr_1jdk 1
. 22 . 4326 . 1 1 8 LYS HZ1 H 2.400 2.025 -8.006 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . rr_1jdk 1
. 22 . 4327 . 1 1 8 LYS HZ2 H 1.460 2.444 -6.741 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . rr_1jdk 1
. 22 . 4328 . 1 1 8 LYS N N -0.695 -1.871 -3.210 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . rr_1jdk 1
. 22 . 4329 . 1 1 8 LYS NZ N 1.444 1.952 -7.641 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . rr_1jdk 1
. 22 . 4330 . 1 1 8 LYS O O 1.759 -2.009 -1.728 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . rr_1jdk 1
. 22 . 4331 . 1 1 9 LEU C C 4.833 -2.306 -2.064 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . rr_1jdk 1
. 22 . 4332 . 1 1 9 LEU CA C 3.989 -3.398 -2.816 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . rr_1jdk 1
. 22 . 4333 . 1 1 9 LEU CB C 4.843 -4.332 -3.726 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . rr_1jdk 1
. 22 . 4334 . 1 1 9 LEU CD1 C 6.660 -4.830 -5.435 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . rr_1jdk 1
. 22 . 4335 . 1 1 9 LEU CD2 C 5.004 -3.015 -5.969 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . rr_1jdk 1
. 22 . 4336 . 1 1 9 LEU CG C 5.763 -3.731 -4.833 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . rr_1jdk 1
. 22 . 4337 . 1 1 9 LEU H H 2.681 -3.006 -4.563 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . rr_1jdk 1
. 22 . 4338 . 1 1 9 LEU HA H 3.594 -4.059 -2.020 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . rr_1jdk 1
. 22 . 4339 . 1 1 9 LEU HB2 H 5.486 -4.921 -3.042 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . rr_1jdk 1
. 22 . 4340 . 1 1 9 LEU HB3 H 4.181 -5.097 -4.179 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . rr_1jdk 1
. 22 . 4341 . 1 1 9 LEU HD11 H 7.275 -5.326 -4.660 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . rr_1jdk 1
. 22 . 4342 . 1 1 9 LEU HD12 H 6.071 -5.621 -5.939 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . rr_1jdk 1
. 22 . 4343 . 1 1 9 LEU HD13 H 7.366 -4.421 -6.181 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . rr_1jdk 1
. 22 . 4344 . 1 1 9 LEU HD21 H 4.265 -3.675 -6.459 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . rr_1jdk 1
. 22 . 4345 . 1 1 9 LEU HD22 H 4.462 -2.125 -5.602 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . rr_1jdk 1
. 22 . 4346 . 1 1 9 LEU HD23 H 5.691 -2.650 -6.756 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . rr_1jdk 1
. 22 . 4347 . 1 1 9 LEU HG H 6.438 -2.992 -4.361 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . rr_1jdk 1
. 22 . 4348 . 1 1 9 LEU N N 2.787 -2.885 -3.549 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . rr_1jdk 1
. 22 . 4349 . 1 1 9 LEU O O 5.332 -2.567 -0.967 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . rr_1jdk 1
. 22 . 4350 . 1 1 10 ILE C C 4.580 1.151 -2.034 . . . 1.0 . . . . . . . . . . . . A . 10 ILE C . . . . . . . . . rr_1jdk 1
. 22 . 4351 . 1 1 10 ILE CA C 5.692 0.054 -2.082 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CA . . . . . . . . . rr_1jdk 1
. 22 . 4352 . 1 1 10 ILE CB C 7.051 0.401 -2.807 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CB . . . . . . . . . rr_1jdk 1
. 22 . 4353 . 1 1 10 ILE CD1 C 8.713 0.391 -0.802 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CD1 . . . . . . . . . rr_1jdk 1
. 22 . 4354 . 1 1 10 ILE CG1 C 8.022 1.215 -1.902 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CG1 . . . . . . . . . rr_1jdk 1
. 22 . 4355 . 1 1 10 ILE CG2 C 6.963 1.104 -4.189 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CG2 . . . . . . . . . rr_1jdk 1
. 22 . 4356 . 1 1 10 ILE H H 4.365 -1.031 -3.484 . . . 1.0 . . . . . . . . . . . . A . 10 ILE H . . . . . . . . . rr_1jdk 1
. 22 . 4357 . 1 1 10 ILE HA H 5.958 -0.197 -1.036 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HA . . . . . . . . . rr_1jdk 1
. 22 . 4358 . 1 1 10 ILE HB H 7.557 -0.564 -3.012 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HB . . . . . . . . . rr_1jdk 1
. 22 . 4359 . 1 1 10 ILE HD11 H 9.289 -0.451 -1.230 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD11 . . . . . . . . . rr_1jdk 1
. 22 . 4360 . 1 1 10 ILE HD12 H 9.426 1.012 -0.231 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD12 . . . . . . . . . rr_1jdk 1
. 22 . 4361 . 1 1 10 ILE HD13 H 7.995 -0.033 -0.077 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD13 . . . . . . . . . rr_1jdk 1
. 22 . 4362 . 1 1 10 ILE HG12 H 8.831 1.666 -2.509 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG12 . . . . . . . . . rr_1jdk 1
. 22 . 4363 . 1 1 10 ILE HG13 H 7.495 2.079 -1.453 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG13 . . . . . . . . . rr_1jdk 1
. 22 . 4364 . 1 1 10 ILE HG21 H 7.952 1.155 -4.685 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG21 . . . . . . . . . rr_1jdk 1
. 22 . 4365 . 1 1 10 ILE HG22 H 6.288 0.578 -4.887 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG22 . . . . . . . . . rr_1jdk 1
. 22 . 4366 . 1 1 10 ILE HG23 H 6.609 2.151 -4.110 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG23 . . . . . . . . . rr_1jdk 1
. 22 . 4367 . 1 1 10 ILE N N 4.987 -1.114 -2.676 . . . 1.0 . . . . . . . . . . . . A . 10 ILE N . . . . . . . . . rr_1jdk 1
. 22 . 4368 . 1 1 10 ILE O O 4.274 1.787 -3.049 . . . 1.0 . . . . . . . . . . . . A . 10 ILE O . . . . . . . . . rr_1jdk 1
. 22 . 4369 . 1 1 11 . C C 3.104 3.798 -1.131 . . . 1.0 . . . . . . . . . . . . A . 11 DAB C . . . . . . . . . rr_1jdk 1
. 22 . 4370 . 1 1 11 . CA C 2.840 2.330 -0.664 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CA . . . . . . . . . rr_1jdk 1
. 22 . 4371 . 1 1 11 . CB C 2.306 2.247 0.803 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CB . . . . . . . . . rr_1jdk 1
. 22 . 4372 . 1 1 11 . CG C 0.774 2.336 0.972 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CG . . . . . . . . . rr_1jdk 1
. 22 . 4373 . 1 1 11 . H H 4.206 0.691 -0.108 . . . 1.0 . . . . . . . . . . . . A . 11 DAB H . . . . . . . . . rr_1jdk 1
. 22 . 4374 . 1 1 11 . HA H 2.027 1.953 -1.317 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HA . . . . . . . . . rr_1jdk 1
. 22 . 4375 . 1 1 11 . HB2 H 2.587 1.280 1.266 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HB2 . . . . . . . . . rr_1jdk 1
. 22 . 4376 . 1 1 11 . HB3 H 2.799 2.999 1.448 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HB3 . . . . . . . . . rr_1jdk 1
. 22 . 4377 . 1 1 11 . HD2 H 0.750 4.428 0.259 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HD2 . . . . . . . . . rr_1jdk 1
. 22 . 4378 . 1 1 11 . HG2 H 0.309 1.483 0.438 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HG2 . . . . . . . . . rr_1jdk 1
. 22 . 4379 . 1 1 11 . HG3 H 0.519 2.187 2.038 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HG3 . . . . . . . . . rr_1jdk 1
. 22 . 4380 . 1 1 11 . N N 3.952 1.349 -0.853 . . . 1.0 . . . . . . . . . . . . A . 11 DAB N . . . . . . . . . rr_1jdk 1
. 22 . 4381 . 1 1 11 . ND N 0.182 3.611 0.512 . . . 1.0 . . . . . . . . . . . . A . 11 DAB ND . . . . . . . . . rr_1jdk 1
. 22 . 4382 . 1 1 11 . O O 2.239 4.377 -1.796 . . . 1.0 . . . . . . . . . . . . A . 11 DAB O . . . . . . . . . rr_1jdk 1
. 22 . 4383 . 1 1 12 THR C C 5.248 5.693 -2.657 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_1jdk 1
. 22 . 4384 . 1 1 12 THR CA C 4.632 5.767 -1.224 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_1jdk 1
. 22 . 4385 . 1 1 12 THR CB C 5.497 6.488 -0.144 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_1jdk 1
. 22 . 4386 . 1 1 12 THR CG2 C 6.858 5.866 0.227 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_1jdk 1
. 22 . 4387 . 1 1 12 THR H H 4.961 3.776 -0.346 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_1jdk 1
. 22 . 4388 . 1 1 12 THR HA H 3.696 6.364 -1.266 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_1jdk 1
. 22 . 4389 . 1 1 12 THR HB H 4.898 6.531 0.785 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_1jdk 1
. 22 . 4390 . 1 1 12 THR HG1 H 6.302 8.215 0.115 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG1 . . . . . . . . . rr_1jdk 1
. 22 . 4391 . 1 1 12 THR HG21 H 7.566 5.871 -0.622 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_1jdk 1
. 22 . 4392 . 1 1 12 THR HG22 H 7.341 6.423 1.051 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_1jdk 1
. 22 . 4393 . 1 1 12 THR HG23 H 6.755 4.818 0.564 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_1jdk 1
. 22 . 4394 . 1 1 12 THR N N 4.274 4.388 -0.800 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_1jdk 1
. 22 . 4395 . 1 1 12 THR O O 6.424 5.364 -2.837 . . . 1.0 . . . . . . . . . . . . A . 12 THR O . . . . . . . . . rr_1jdk 1
. 22 . 4396 . 1 1 12 THR OG1 O 5.734 7.829 -0.554 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_1jdk 1
. 22 . 4397 . 1 1 13 THR C C 5.294 7.362 -5.516 . . . 1.0 . . . . . . . . . . . . A . 13 THR C . . . . . . . . . rr_1jdk 1
. 22 . 4398 . 1 1 13 THR CA C 4.826 5.937 -5.104 . . . 1.0 . . . . . . . . . . . . A . 13 THR CA . . . . . . . . . rr_1jdk 1
. 22 . 4399 . 1 1 13 THR CB C 3.635 5.387 -5.947 . . . 1.0 . . . . . . . . . . . . A . 13 THR CB . . . . . . . . . rr_1jdk 1
. 22 . 4400 . 1 1 13 THR CG2 C 3.895 5.301 -7.462 . . . 1.0 . . . . . . . . . . . . A . 13 THR CG2 . . . . . . . . . rr_1jdk 1
. 22 . 4401 . 1 1 13 THR H H 3.464 6.239 -3.389 . . . 1.0 . . . . . . . . . . . . A . 13 THR H . . . . . . . . . rr_1jdk 1
. 22 . 4402 . 1 1 13 THR HA H 5.657 5.214 -5.236 . . . 1.0 . . . . . . . . . . . . A . 13 THR HA . . . . . . . . . rr_1jdk 1
. 22 . 4403 . 1 1 13 THR HB H 2.759 6.042 -5.791 . . . 1.0 . . . . . . . . . . . . A . 13 THR HB . . . . . . . . . rr_1jdk 1
. 22 . 4404 . 1 1 13 THR HG1 H 3.187 4.119 -4.562 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG1 . . . . . . . . . rr_1jdk 1
. 22 . 4405 . 1 1 13 THR HG21 H 4.760 4.652 -7.695 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG21 . . . . . . . . . rr_1jdk 1
. 22 . 4406 . 1 1 13 THR HG22 H 3.020 4.889 -7.996 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG22 . . . . . . . . . rr_1jdk 1
. 22 . 4407 . 1 1 13 THR HG23 H 4.098 6.296 -7.902 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG23 . . . . . . . . . rr_1jdk 1
. 22 . 4408 . 1 1 13 THR N N 4.414 5.977 -3.674 . . . 1.0 . . . . . . . . . . . . A . 13 THR N . . . . . . . . . rr_1jdk 1
. 22 . 4409 . 1 1 13 THR O O 4.474 8.265 -5.696 . . . 1.0 . . . . . . . . . . . . A . 13 THR O . . . . . . . . . rr_1jdk 1
. 22 . 4410 . 1 1 13 THR OG1 O 3.288 4.071 -5.516 . . . 1.0 . . . . . . . . . . . . A . 13 THR OG1 . . . . . . . . . rr_1jdk 1
. 22 . 4411 . 1 1 14 ALA C C 7.064 9.180 -7.564 . . . 1.0 . . . . . . . . . . . . A . 14 ALA C . . . . . . . . . rr_1jdk 1
. 22 . 4412 . 1 1 14 ALA CA C 7.208 8.855 -6.057 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CA . . . . . . . . . rr_1jdk 1
. 22 . 4413 . 1 1 14 ALA CB C 8.680 8.882 -5.608 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CB . . . . . . . . . rr_1jdk 1
. 22 . 4414 . 1 1 14 ALA H H 7.198 6.734 -5.440 . . . 1.0 . . . . . . . . . . . . A . 14 ALA H . . . . . . . . . rr_1jdk 1
. 22 . 4415 . 1 1 14 ALA HXT H 7.933 7.469 -7.873 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HXT . . . . . . . . . rr_1jdk 1
. 22 . 4416 . 1 1 14 ALA HA H 6.691 9.658 -5.496 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HA . . . . . . . . . rr_1jdk 1
. 22 . 4417 . 1 1 14 ALA HB1 H 9.152 9.859 -5.825 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB1 . . . . . . . . . rr_1jdk 1
. 22 . 4418 . 1 1 14 ALA HB2 H 8.779 8.721 -4.518 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB2 . . . . . . . . . rr_1jdk 1
. 22 . 4419 . 1 1 14 ALA HB3 H 9.291 8.108 -6.110 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB3 . . . . . . . . . rr_1jdk 1
. 22 . 4420 . 1 1 14 ALA N N 6.618 7.546 -5.675 . . . 1.0 . . . . . . . . . . . . A . 14 ALA N . . . . . . . . . rr_1jdk 1
. 22 . 4421 . 1 1 14 ALA O O 6.541 10.214 -7.975 . . . 1.0 . . . . . . . . . . . . A . 14 ALA O . . . . . . . . . rr_1jdk 1
. 22 . 4422 . 1 1 14 ALA OXT O 7.580 8.203 -8.380 . . . 1.0 . . . . . . . . . . . . A . 14 ALA OXT . . . . . . . . . rr_1jdk 1
. 23 . 4423 . 1 1 1 ACE C C 4.506 4.526 -7.584 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . rr_1jdk 1
. 23 . 4424 . 1 1 1 ACE CH3 C 5.608 3.505 -7.323 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . rr_1jdk 1
. 23 . 4425 . 1 1 1 ACE H1 H 6.185 3.761 -6.416 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . rr_1jdk 1
. 23 . 4426 . 1 1 1 ACE H2 H 5.205 2.483 -7.194 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . rr_1jdk 1
. 23 . 4427 . 1 1 1 ACE H3 H 6.323 3.469 -8.164 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . rr_1jdk 1
. 23 . 4428 . 1 1 1 ACE O O 4.605 5.308 -8.531 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . rr_1jdk 1
. 23 . 4429 . 1 1 2 ILE C C 2.328 6.528 -5.743 . . . 1.0 . . . . . . . . . . . . A . 2 ILE C . . . . . . . . . rr_1jdk 1
. 23 . 4430 . 1 1 2 ILE CA C 2.295 5.423 -6.845 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CA . . . . . . . . . rr_1jdk 1
. 23 . 4431 . 1 1 2 ILE CB C 0.926 4.640 -6.915 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CB . . . . . . . . . rr_1jdk 1
. 23 . 4432 . 1 1 2 ILE CD1 C -1.162 4.413 -8.427 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CD1 . . . . . . . . . rr_1jdk 1
. 23 . 4433 . 1 1 2 ILE CG1 C -0.114 5.360 -7.827 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG1 . . . . . . . . . rr_1jdk 1
. 23 . 4434 . 1 1 2 ILE CG2 C 0.257 4.277 -5.554 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG2 . . . . . . . . . rr_1jdk 1
. 23 . 4435 . 1 1 2 ILE H H 3.563 3.770 -6.017 . . . 1.0 . . . . . . . . . . . . A . 2 ILE H . . . . . . . . . rr_1jdk 1
. 23 . 4436 . 1 1 2 ILE HA H 2.394 5.931 -7.826 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HA . . . . . . . . . rr_1jdk 1
. 23 . 4437 . 1 1 2 ILE HB H 1.143 3.676 -7.417 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HB . . . . . . . . . rr_1jdk 1
. 23 . 4438 . 1 1 2 ILE HD11 H -1.836 4.953 -9.114 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD11 . . . . . . . . . rr_1jdk 1
. 23 . 4439 . 1 1 2 ILE HD12 H -0.681 3.600 -9.002 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD12 . . . . . . . . . rr_1jdk 1
. 23 . 4440 . 1 1 2 ILE HD13 H -1.786 3.943 -7.646 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD13 . . . . . . . . . rr_1jdk 1
. 23 . 4441 . 1 1 2 ILE HG12 H -0.616 6.185 -7.284 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG12 . . . . . . . . . rr_1jdk 1
. 23 . 4442 . 1 1 2 ILE HG13 H 0.386 5.853 -8.683 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG13 . . . . . . . . . rr_1jdk 1
. 23 . 4443 . 1 1 2 ILE HG21 H -0.050 5.174 -4.981 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG21 . . . . . . . . . rr_1jdk 1
. 23 . 4444 . 1 1 2 ILE HG22 H -0.668 3.690 -5.685 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG22 . . . . . . . . . rr_1jdk 1
. 23 . 4445 . 1 1 2 ILE HG23 H 0.921 3.683 -4.901 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG23 . . . . . . . . . rr_1jdk 1
. 23 . 4446 . 1 1 2 ILE N N 3.468 4.497 -6.733 . . . 1.0 . . . . . . . . . . . . A . 2 ILE N . . . . . . . . . rr_1jdk 1
. 23 . 4447 . 1 1 2 ILE O O 2.495 6.225 -4.558 . . . 1.0 . . . . . . . . . . . . A . 2 ILE O . . . . . . . . . rr_1jdk 1
. 23 . 4448 . 1 1 3 TRP C C 0.595 9.162 -4.777 . . . 1.0 . . . . . . . . . . . . A . 3 TRP C . . . . . . . . . rr_1jdk 1
. 23 . 4449 . 1 1 3 TRP CA C 2.085 8.948 -5.187 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CA . . . . . . . . . rr_1jdk 1
. 23 . 4450 . 1 1 3 TRP CB C 2.742 10.217 -5.810 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CB . . . . . . . . . rr_1jdk 1
. 23 . 4451 . 1 1 3 TRP CD1 C 4.912 11.253 -4.827 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD1 . . . . . . . . . rr_1jdk 1
. 23 . 4452 . 1 1 3 TRP CD2 C 5.295 9.599 -6.266 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD2 . . . . . . . . . rr_1jdk 1
. 23 . 4453 . 1 1 3 TRP CE2 C 6.528 10.104 -5.773 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE2 . . . . . . . . . rr_1jdk 1
. 23 . 4454 . 1 1 3 TRP CE3 C 5.286 8.543 -7.215 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE3 . . . . . . . . . rr_1jdk 1
. 23 . 4455 . 1 1 3 TRP CG C 4.269 10.317 -5.663 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CG . . . . . . . . . rr_1jdk 1
. 23 . 4456 . 1 1 3 TRP CH2 C 7.720 8.508 -7.144 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CH2 . . . . . . . . . rr_1jdk 1
. 23 . 4457 . 1 1 3 TRP CZ2 C 7.753 9.552 -6.218 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ2 . . . . . . . . . rr_1jdk 1
. 23 . 4458 . 1 1 3 TRP CZ3 C 6.506 8.013 -7.635 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ3 . . . . . . . . . rr_1jdk 1
. 23 . 4459 . 1 1 3 TRP H H 1.957 7.918 -7.143 . . . 1.0 . . . . . . . . . . . . A . 3 TRP H . . . . . . . . . rr_1jdk 1
. 23 . 4460 . 1 1 3 TRP HA H 2.666 8.710 -4.270 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HA . . . . . . . . . rr_1jdk 1
. 23 . 4461 . 1 1 3 TRP HB2 H 2.455 10.346 -6.870 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB2 . . . . . . . . . rr_1jdk 1
. 23 . 4462 . 1 1 3 TRP HB3 H 2.310 11.116 -5.320 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB3 . . . . . . . . . rr_1jdk 1
. 23 . 4463 . 1 1 3 TRP HD1 H 4.383 11.966 -4.213 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HD1 . . . . . . . . . rr_1jdk 1
. 23 . 4464 . 1 1 3 TRP HE1 H 7.011 11.735 -4.421 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE1 . . . . . . . . . rr_1jdk 1
. 23 . 4465 . 1 1 3 TRP HE3 H 4.363 8.154 -7.615 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE3 . . . . . . . . . rr_1jdk 1
. 23 . 4466 . 1 1 3 TRP HH2 H 8.647 8.076 -7.489 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HH2 . . . . . . . . . rr_1jdk 1
. 23 . 4467 . 1 1 3 TRP HZ2 H 8.696 9.929 -5.851 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ2 . . . . . . . . . rr_1jdk 1
. 23 . 4468 . 1 1 3 TRP HZ3 H 6.515 7.207 -8.354 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ3 . . . . . . . . . rr_1jdk 1
. 23 . 4469 . 1 1 3 TRP N N 2.117 7.800 -6.138 . . . 1.0 . . . . . . . . . . . . A . 3 TRP N . . . . . . . . . rr_1jdk 1
. 23 . 4470 . 1 1 3 TRP NE1 N 6.312 11.141 -4.882 . . . 1.0 . . . . . . . . . . . . A . 3 TRP NE1 . . . . . . . . . rr_1jdk 1
. 23 . 4471 . 1 1 3 TRP O O -0.140 9.945 -5.389 . . . 1.0 . . . . . . . . . . . . A . 3 TRP O . . . . . . . . . rr_1jdk 1
. 23 . 4472 . 1 1 4 GLY C C -1.502 7.219 -2.387 . . . 1.0 . . . . . . . . . . . . A . 4 GLY C . . . . . . . . . rr_1jdk 1
. 23 . 4473 . 1 1 4 GLY CA C -1.211 8.479 -3.219 . . . 1.0 . . . . . . . . . . . . A . 4 GLY CA . . . . . . . . . rr_1jdk 1
. 23 . 4474 . 1 1 4 GLY H H 0.887 7.801 -3.348 . . . 1.0 . . . . . . . . . . . . A . 4 GLY H . . . . . . . . . rr_1jdk 1
. 23 . 4475 . 1 1 4 GLY HA2 H -1.329 9.372 -2.577 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA2 . . . . . . . . . rr_1jdk 1
. 23 . 4476 . 1 1 4 GLY HA3 H -1.943 8.599 -4.042 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA3 . . . . . . . . . rr_1jdk 1
. 23 . 4477 . 1 1 4 GLY N N 0.172 8.425 -3.738 . . . 1.0 . . . . . . . . . . . . A . 4 GLY N . . . . . . . . . rr_1jdk 1
. 23 . 4478 . 1 1 4 GLY O O -0.954 7.074 -1.290 . . . 1.0 . . . . . . . . . . . . A . 4 GLY O . . . . . . . . . rr_1jdk 1
. 23 . 4479 . 1 1 5 GLU C C -3.400 4.047 -3.157 . . . 1.0 . . . . . . . . . . . . A . 5 GLU C . . . . . . . . . rr_1jdk 1
. 23 . 4480 . 1 1 5 GLU CA C -2.728 5.064 -2.184 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CA . . . . . . . . . rr_1jdk 1
. 23 . 4481 . 1 1 5 GLU CB C -3.643 5.306 -0.929 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CB . . . . . . . . . rr_1jdk 1
. 23 . 4482 . 1 1 5 GLU CD C -2.820 3.240 0.430 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CD . . . . . . . . . rr_1jdk 1
. 23 . 4483 . 1 1 5 GLU CG C -3.123 4.754 0.423 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CG . . . . . . . . . rr_1jdk 1
. 23 . 4484 . 1 1 5 GLU H H -2.766 6.566 -3.810 . . . 1.0 . . . . . . . . . . . . A . 5 GLU H . . . . . . . . . rr_1jdk 1
. 23 . 4485 . 1 1 5 GLU HA H -1.769 4.632 -1.840 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HA . . . . . . . . . rr_1jdk 1
. 23 . 4486 . 1 1 5 GLU HB2 H -3.825 6.390 -0.785 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB2 . . . . . . . . . rr_1jdk 1
. 23 . 4487 . 1 1 5 GLU HB3 H -4.664 4.908 -1.096 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB3 . . . . . . . . . rr_1jdk 1
. 23 . 4488 . 1 1 5 GLU HG2 H -2.247 5.345 0.752 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG2 . . . . . . . . . rr_1jdk 1
. 23 . 4489 . 1 1 5 GLU HG3 H -3.884 4.961 1.202 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG3 . . . . . . . . . rr_1jdk 1
. 23 . 4490 . 1 1 5 GLU N N -2.371 6.324 -2.894 . . . 1.0 . . . . . . . . . . . . A . 5 GLU N . . . . . . . . . rr_1jdk 1
. 23 . 4491 . 1 1 5 GLU O O -4.345 4.402 -3.870 . . . 1.0 . . . . . . . . . . . . A . 5 GLU O . . . . . . . . . rr_1jdk 1
. 23 . 4492 . 1 1 5 GLU OE1 O -3.745 2.428 0.518 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE1 . . . . . . . . . rr_1jdk 1
. 23 . 4493 . 1 1 6 SER C C -3.505 0.366 -3.214 . . . 1.0 . . . . . . . . . . . . A . 6 SER C . . . . . . . . . rr_1jdk 1
. 23 . 4494 . 1 1 6 SER CA C -3.508 1.705 -4.027 . . . 1.0 . . . . . . . . . . . . A . 6 SER CA . . . . . . . . . rr_1jdk 1
. 23 . 4495 . 1 1 6 SER CB C -2.893 1.706 -5.459 . . . 1.0 . . . . . . . . . . . . A . 6 SER CB . . . . . . . . . rr_1jdk 1
. 23 . 4496 . 1 1 6 SER H H -2.148 2.599 -2.526 . . . 1.0 . . . . . . . . . . . . A . 6 SER H . . . . . . . . . rr_1jdk 1
. 23 . 4497 . 1 1 6 SER HA H -4.585 1.919 -4.173 . . . 1.0 . . . . . . . . . . . . A . 6 SER HA . . . . . . . . . rr_1jdk 1
. 23 . 4498 . 1 1 6 SER HB2 H -3.438 0.993 -6.108 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB2 . . . . . . . . . rr_1jdk 1
. 23 . 4499 . 1 1 6 SER HB3 H -3.025 2.692 -5.944 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB3 . . . . . . . . . rr_1jdk 1
. 23 . 4500 . 1 1 6 SER HG H -1.074 2.012 -4.897 . . . 1.0 . . . . . . . . . . . . A . 6 SER HG . . . . . . . . . rr_1jdk 1
. 23 . 4501 . 1 1 6 SER N N -2.923 2.783 -3.174 . . . 1.0 . . . . . . . . . . . . A . 6 SER N . . . . . . . . . rr_1jdk 1
. 23 . 4502 . 1 1 6 SER O O -4.127 0.306 -2.147 . . . 1.0 . . . . . . . . . . . . A . 6 SER O . . . . . . . . . rr_1jdk 1
. 23 . 4503 . 1 1 6 SER OG O -1.511 1.357 -5.447 . . . 1.0 . . . . . . . . . . . . A . 6 SER OG . . . . . . . . . rr_1jdk 1
. 23 . 4504 . 1 1 7 GLY C C -1.707 -2.890 -3.668 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . rr_1jdk 1
. 23 . 4505 . 1 1 7 GLY CA C -2.776 -2.004 -3.005 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . rr_1jdk 1
. 23 . 4506 . 1 1 7 GLY H H -2.391 -0.542 -4.610 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . rr_1jdk 1
. 23 . 4507 . 1 1 7 GLY HA2 H -2.557 -1.870 -1.928 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . rr_1jdk 1
. 23 . 4508 . 1 1 7 GLY HA3 H -3.760 -2.507 -3.055 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . rr_1jdk 1
. 23 . 4509 . 1 1 7 GLY N N -2.847 -0.699 -3.703 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . rr_1jdk 1
. 23 . 4510 . 1 1 7 GLY O O -2.035 -3.787 -4.449 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . rr_1jdk 1
. 23 . 4511 . 1 1 8 LYS C C 1.941 -3.323 -2.899 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . rr_1jdk 1
. 23 . 4512 . 1 1 8 LYS CA C 0.742 -3.343 -3.911 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . rr_1jdk 1
. 23 . 4513 . 1 1 8 LYS CB C 1.058 -2.748 -5.329 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . rr_1jdk 1
. 23 . 4514 . 1 1 8 LYS CD C 1.807 -0.764 -6.807 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . rr_1jdk 1
. 23 . 4515 . 1 1 8 LYS CE C 2.247 0.711 -6.828 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . rr_1jdk 1
. 23 . 4516 . 1 1 8 LYS CG C 1.503 -1.262 -5.382 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . rr_1jdk 1
. 23 . 4517 . 1 1 8 LYS H H -0.316 -1.848 -2.678 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . rr_1jdk 1
. 23 . 4518 . 1 1 8 LYS HA H 0.475 -4.410 -4.045 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . rr_1jdk 1
. 23 . 4519 . 1 1 8 LYS HB2 H 1.836 -3.370 -5.809 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . rr_1jdk 1
. 23 . 4520 . 1 1 8 LYS HB3 H 0.173 -2.880 -5.980 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . rr_1jdk 1
. 23 . 4521 . 1 1 8 LYS HD2 H 2.594 -1.399 -7.258 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . rr_1jdk 1
. 23 . 4522 . 1 1 8 LYS HD3 H 0.909 -0.896 -7.440 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . rr_1jdk 1
. 23 . 4523 . 1 1 8 LYS HE2 H 1.464 1.354 -6.384 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . rr_1jdk 1
. 23 . 4524 . 1 1 8 LYS HE3 H 3.152 0.855 -6.207 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . rr_1jdk 1
. 23 . 4525 . 1 1 8 LYS HG2 H 0.717 -0.623 -4.934 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . rr_1jdk 1
. 23 . 4526 . 1 1 8 LYS HG3 H 2.397 -1.117 -4.748 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . rr_1jdk 1
. 23 . 4527 . 1 1 8 LYS HZ1 H 2.852 2.132 -8.206 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . rr_1jdk 1
. 23 . 4528 . 1 1 8 LYS HZ2 H 3.283 0.607 -8.615 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . rr_1jdk 1
. 23 . 4529 . 1 1 8 LYS N N -0.432 -2.617 -3.346 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . rr_1jdk 1
. 23 . 4530 . 1 1 8 LYS NZ N 2.522 1.160 -8.204 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . rr_1jdk 1
. 23 . 4531 . 1 1 8 LYS O O 1.777 -3.011 -1.713 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . rr_1jdk 1
. 23 . 4532 . 1 1 9 LEU C C 4.822 -2.250 -1.942 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . rr_1jdk 1
. 23 . 4533 . 1 1 9 LEU CA C 4.400 -3.652 -2.516 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . rr_1jdk 1
. 23 . 4534 . 1 1 9 LEU CB C 5.549 -4.437 -3.218 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . rr_1jdk 1
. 23 . 4535 . 1 1 9 LEU CD1 C 7.107 -2.803 -4.496 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . rr_1jdk 1
. 23 . 4536 . 1 1 9 LEU CD2 C 6.735 -5.123 -5.371 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . rr_1jdk 1
. 23 . 4537 . 1 1 9 LEU CG C 6.087 -3.954 -4.602 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . rr_1jdk 1
. 23 . 4538 . 1 1 9 LEU H H 3.188 -3.940 -4.353 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . rr_1jdk 1
. 23 . 4539 . 1 1 9 LEU HA H 4.166 -4.253 -1.615 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . rr_1jdk 1
. 23 . 4540 . 1 1 9 LEU HB2 H 6.397 -4.540 -2.514 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . rr_1jdk 1
. 23 . 4541 . 1 1 9 LEU HB3 H 5.184 -5.478 -3.326 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . rr_1jdk 1
. 23 . 4542 . 1 1 9 LEU HD11 H 6.665 -1.897 -4.053 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . rr_1jdk 1
. 23 . 4543 . 1 1 9 LEU HD12 H 7.981 -3.077 -3.877 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . rr_1jdk 1
. 23 . 4544 . 1 1 9 LEU HD13 H 7.490 -2.501 -5.489 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . rr_1jdk 1
. 23 . 4545 . 1 1 9 LEU HD21 H 7.605 -5.545 -4.833 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . rr_1jdk 1
. 23 . 4546 . 1 1 9 LEU HD22 H 6.019 -5.951 -5.535 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . rr_1jdk 1
. 23 . 4547 . 1 1 9 LEU HD23 H 7.088 -4.811 -6.372 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . rr_1jdk 1
. 23 . 4548 . 1 1 9 LEU HG H 5.236 -3.600 -5.214 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . rr_1jdk 1
. 23 . 4549 . 1 1 9 LEU N N 3.161 -3.679 -3.361 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . rr_1jdk 1
. 23 . 4550 . 1 1 9 LEU O O 5.500 -2.197 -0.914 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . rr_1jdk 1
. 23 . 4551 . 1 1 10 ILE C C 3.330 1.003 -2.281 . . . 1.0 . . . . . . . . . . . . A . 10 ILE C . . . . . . . . . rr_1jdk 1
. 23 . 4552 . 1 1 10 ILE CA C 4.697 0.251 -2.160 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CA . . . . . . . . . rr_1jdk 1
. 23 . 4553 . 1 1 10 ILE CB C 5.955 0.896 -2.861 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CB . . . . . . . . . rr_1jdk 1
. 23 . 4554 . 1 1 10 ILE CD1 C 7.263 1.811 -0.816 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CD1 . . . . . . . . . rr_1jdk 1
. 23 . 4555 . 1 1 10 ILE CG1 C 6.495 2.144 -2.103 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CG1 . . . . . . . . . rr_1jdk 1
. 23 . 4556 . 1 1 10 ILE CG2 C 5.829 1.234 -4.369 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CG2 . . . . . . . . . rr_1jdk 1
. 23 . 4557 . 1 1 10 ILE H H 3.809 -1.371 -3.391 . . . 1.0 . . . . . . . . . . . . A . 10 ILE H . . . . . . . . . rr_1jdk 1
. 23 . 4558 . 1 1 10 ILE HA H 4.942 0.214 -1.079 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HA . . . . . . . . . rr_1jdk 1
. 23 . 4559 . 1 1 10 ILE HB H 6.762 0.139 -2.813 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HB . . . . . . . . . rr_1jdk 1
. 23 . 4560 . 1 1 10 ILE HD11 H 7.670 2.727 -0.350 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD11 . . . . . . . . . rr_1jdk 1
. 23 . 4561 . 1 1 10 ILE HD12 H 6.625 1.315 -0.063 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD12 . . . . . . . . . rr_1jdk 1
. 23 . 4562 . 1 1 10 ILE HD13 H 8.118 1.140 -1.020 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD13 . . . . . . . . . rr_1jdk 1
. 23 . 4563 . 1 1 10 ILE HG12 H 7.190 2.716 -2.747 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG12 . . . . . . . . . rr_1jdk 1
. 23 . 4564 . 1 1 10 ILE HG13 H 5.669 2.847 -1.878 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG13 . . . . . . . . . rr_1jdk 1
. 23 . 4565 . 1 1 10 ILE HG21 H 5.494 0.370 -4.970 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG21 . . . . . . . . . rr_1jdk 1
. 23 . 4566 . 1 1 10 ILE HG22 H 5.123 2.063 -4.564 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG22 . . . . . . . . . rr_1jdk 1
. 23 . 4567 . 1 1 10 ILE HG23 H 6.800 1.555 -4.799 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG23 . . . . . . . . . rr_1jdk 1
. 23 . 4568 . 1 1 10 ILE N N 4.427 -1.144 -2.606 . . . 1.0 . . . . . . . . . . . . A . 10 ILE N . . . . . . . . . rr_1jdk 1
. 23 . 4569 . 1 1 10 ILE O O 2.971 1.494 -3.356 . . . 1.0 . . . . . . . . . . . . A . 10 ILE O . . . . . . . . . rr_1jdk 1
. 23 . 4570 . 1 1 11 . C C 1.304 3.308 -1.299 . . . 1.0 . . . . . . . . . . . . A . 11 DAB C . . . . . . . . . rr_1jdk 1
. 23 . 4571 . 1 1 11 . CA C 1.218 1.752 -1.159 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CA . . . . . . . . . rr_1jdk 1
. 23 . 4572 . 1 1 11 . CB C 0.407 1.249 0.078 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CB . . . . . . . . . rr_1jdk 1
. 23 . 4573 . 1 1 11 . CG C -1.124 1.479 0.085 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CG . . . . . . . . . rr_1jdk 1
. 23 . 4574 . 1 1 11 . H H 2.896 0.563 -0.353 . . . 1.0 . . . . . . . . . . . . A . 11 DAB H . . . . . . . . . rr_1jdk 1
. 23 . 4575 . 1 1 11 . HA H 0.664 1.387 -2.048 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HA . . . . . . . . . rr_1jdk 1
. 23 . 4576 . 1 1 11 . HB2 H 0.531 0.149 0.155 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HB2 . . . . . . . . . rr_1jdk 1
. 23 . 4577 . 1 1 11 . HB3 H 0.845 1.636 1.018 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HB3 . . . . . . . . . rr_1jdk 1
. 23 . 4578 . 1 1 11 . HD2 H -0.876 3.672 0.235 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HD2 . . . . . . . . . rr_1jdk 1
. 23 . 4579 . 1 1 11 . HG2 H -1.562 1.097 -0.857 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HG2 . . . . . . . . . rr_1jdk 1
. 23 . 4580 . 1 1 11 . HG3 H -1.565 0.851 0.884 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HG3 . . . . . . . . . rr_1jdk 1
. 23 . 4581 . 1 1 11 . N N 2.550 1.073 -1.175 . . . 1.0 . . . . . . . . . . . . A . 11 DAB N . . . . . . . . . rr_1jdk 1
. 23 . 4582 . 1 1 11 . ND N -1.533 2.885 0.297 . . . 1.0 . . . . . . . . . . . . A . 11 DAB ND . . . . . . . . . rr_1jdk 1
. 23 . 4583 . 1 1 11 . O O 0.637 3.859 -2.179 . . . 1.0 . . . . . . . . . . . . A . 11 DAB O . . . . . . . . . rr_1jdk 1
. 23 . 4584 . 1 1 12 THR C C 3.768 5.748 -0.765 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_1jdk 1
. 23 . 4585 . 1 1 12 THR CA C 2.258 5.479 -0.502 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_1jdk 1
. 23 . 4586 . 1 1 12 THR CB C 1.731 6.130 0.814 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_1jdk 1
. 23 . 4587 . 1 1 12 THR CG2 C 1.788 7.668 0.819 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_1jdk 1
. 23 . 4588 . 1 1 12 THR H H 2.685 3.431 0.165 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_1jdk 1
. 23 . 4589 . 1 1 12 THR HA H 1.657 5.910 -1.330 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_1jdk 1
. 23 . 4590 . 1 1 12 THR HB H 2.326 5.760 1.673 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_1jdk 1
. 23 . 4591 . 1 1 12 THR HG1 H 0.078 6.289 1.785 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG1 . . . . . . . . . rr_1jdk 1
. 23 . 4592 . 1 1 12 THR HG21 H 1.387 8.085 1.760 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_1jdk 1
. 23 . 4593 . 1 1 12 THR HG22 H 2.824 8.042 0.717 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_1jdk 1
. 23 . 4594 . 1 1 12 THR HG23 H 1.200 8.103 -0.011 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_1jdk 1
. 23 . 4595 . 1 1 12 THR N N 2.097 4.000 -0.453 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_1jdk 1
. 23 . 4596 . 1 1 12 THR O O 4.602 5.618 0.139 . . . 1.0 . . . . . . . . . . . . A . 12 THR O . . . . . . . . . rr_1jdk 1
. 23 . 4597 . 1 1 12 THR OG1 O 0.370 5.769 1.034 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_1jdk 1
. 23 . 4598 . 1 1 13 THR C C 5.774 7.943 -2.220 . . . 1.0 . . . . . . . . . . . . A . 13 THR C . . . . . . . . . rr_1jdk 1
. 23 . 4599 . 1 1 13 THR CA C 5.508 6.422 -2.420 . . . 1.0 . . . . . . . . . . . . A . 13 THR CA . . . . . . . . . rr_1jdk 1
. 23 . 4600 . 1 1 13 THR CB C 5.753 5.972 -3.894 . . . 1.0 . . . . . . . . . . . . A . 13 THR CB . . . . . . . . . rr_1jdk 1
. 23 . 4601 . 1 1 13 THR CG2 C 7.222 6.060 -4.342 . . . 1.0 . . . . . . . . . . . . A . 13 THR CG2 . . . . . . . . . rr_1jdk 1
. 23 . 4602 . 1 1 13 THR H H 3.333 6.155 -2.685 . . . 1.0 . . . . . . . . . . . . A . 13 THR H . . . . . . . . . rr_1jdk 1
. 23 . 4603 . 1 1 13 THR HA H 6.201 5.825 -1.792 . . . 1.0 . . . . . . . . . . . . A . 13 THR HA . . . . . . . . . rr_1jdk 1
. 23 . 4604 . 1 1 13 THR HB H 5.148 6.600 -4.578 . . . 1.0 . . . . . . . . . . . . A . 13 THR HB . . . . . . . . . rr_1jdk 1
. 23 . 4605 . 1 1 13 THR HG1 H 5.903 4.098 -3.483 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG1 . . . . . . . . . rr_1jdk 1
. 23 . 4606 . 1 1 13 THR HG21 H 7.882 5.425 -3.723 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG21 . . . . . . . . . rr_1jdk 1
. 23 . 4607 . 1 1 13 THR HG22 H 7.340 5.734 -5.392 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG22 . . . . . . . . . rr_1jdk 1
. 23 . 4608 . 1 1 13 THR HG23 H 7.608 7.095 -4.285 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG23 . . . . . . . . . rr_1jdk 1
. 23 . 4609 . 1 1 13 THR N N 4.107 6.128 -2.010 . . . 1.0 . . . . . . . . . . . . A . 13 THR N . . . . . . . . . rr_1jdk 1
. 23 . 4610 . 1 1 13 THR O O 5.106 8.781 -2.835 . . . 1.0 . . . . . . . . . . . . A . 13 THR O . . . . . . . . . rr_1jdk 1
. 23 . 4611 . 1 1 13 THR OG1 O 5.354 4.618 -4.074 . . . 1.0 . . . . . . . . . . . . A . 13 THR OG1 . . . . . . . . . rr_1jdk 1
. 23 . 4612 . 1 1 14 ALA C C 8.572 9.923 -1.574 . . . 1.0 . . . . . . . . . . . . A . 14 ALA C . . . . . . . . . rr_1jdk 1
. 23 . 4613 . 1 1 14 ALA CA C 7.133 9.679 -1.070 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CA . . . . . . . . . rr_1jdk 1
. 23 . 4614 . 1 1 14 ALA CB C 6.950 9.939 0.438 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CB . . . . . . . . . rr_1jdk 1
. 23 . 4615 . 1 1 14 ALA H H 7.211 7.484 -0.898 . . . 1.0 . . . . . . . . . . . . A . 14 ALA H . . . . . . . . . rr_1jdk 1
. 23 . 4616 . 1 1 14 ALA HXT H 7.739 10.067 -3.326 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HXT . . . . . . . . . rr_1jdk 1
. 23 . 4617 . 1 1 14 ALA HA H 6.472 10.397 -1.598 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HA . . . . . . . . . rr_1jdk 1
. 23 . 4618 . 1 1 14 ALA HB1 H 5.902 9.785 0.755 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB1 . . . . . . . . . rr_1jdk 1
. 23 . 4619 . 1 1 14 ALA HB2 H 7.584 9.277 1.060 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB2 . . . . . . . . . rr_1jdk 1
. 23 . 4620 . 1 1 14 ALA HB3 H 7.213 10.980 0.702 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB3 . . . . . . . . . rr_1jdk 1
. 23 . 4621 . 1 1 14 ALA N N 6.754 8.276 -1.363 . . . 1.0 . . . . . . . . . . . . A . 14 ALA N . . . . . . . . . rr_1jdk 1
. 23 . 4622 . 1 1 14 ALA O O 9.572 9.918 -0.855 . . . 1.0 . . . . . . . . . . . . A . 14 ALA O . . . . . . . . . rr_1jdk 1
. 23 . 4623 . 1 1 14 ALA OXT O 8.611 10.136 -2.930 . . . 1.0 . . . . . . . . . . . . A . 14 ALA OXT . . . . . . . . . rr_1jdk 1
. 24 . 4624 . 1 1 1 ACE C C 2.812 11.249 -2.553 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . rr_1jdk 1
. 24 . 4625 . 1 1 1 ACE CH3 C 4.049 12.032 -2.988 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . rr_1jdk 1
. 24 . 4626 . 1 1 1 ACE H1 H 4.270 12.907 -2.347 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . rr_1jdk 1
. 24 . 4627 . 1 1 1 ACE H2 H 4.942 11.380 -2.973 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . rr_1jdk 1
. 24 . 4628 . 1 1 1 ACE H3 H 3.929 12.399 -4.022 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . rr_1jdk 1
. 24 . 4629 . 1 1 1 ACE O O 2.537 10.188 -3.117 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . rr_1jdk 1
. 24 . 4630 . 1 1 2 ILE C C -0.489 11.633 -1.698 . . . 1.0 . . . . . . . . . . . . A . 2 ILE C . . . . . . . . . rr_1jdk 1
. 24 . 4631 . 1 1 2 ILE CA C 0.836 11.131 -1.028 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CA . . . . . . . . . rr_1jdk 1
. 24 . 4632 . 1 1 2 ILE CB C 0.815 10.992 0.548 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CB . . . . . . . . . rr_1jdk 1
. 24 . 4633 . 1 1 2 ILE CD1 C 0.174 8.440 0.716 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CD1 . . . . . . . . . rr_1jdk 1
. 24 . 4634 . 1 1 2 ILE CG1 C -0.168 9.895 1.072 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG1 . . . . . . . . . rr_1jdk 1
. 24 . 4635 . 1 1 2 ILE CG2 C 0.533 12.282 1.371 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG2 . . . . . . . . . rr_1jdk 1
. 24 . 4636 . 1 1 2 ILE H H 2.417 12.730 -1.330 . . . 1.0 . . . . . . . . . . . . A . 2 ILE H . . . . . . . . . rr_1jdk 1
. 24 . 4637 . 1 1 2 ILE HA H 0.902 10.070 -1.342 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HA . . . . . . . . . rr_1jdk 1
. 24 . 4638 . 1 1 2 ILE HB H 1.829 10.664 0.850 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HB . . . . . . . . . rr_1jdk 1
. 24 . 4639 . 1 1 2 ILE HD11 H 0.113 8.243 -0.369 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD11 . . . . . . . . . rr_1jdk 1
. 24 . 4640 . 1 1 2 ILE HD12 H 1.191 8.168 1.055 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD12 . . . . . . . . . rr_1jdk 1
. 24 . 4641 . 1 1 2 ILE HD13 H -0.528 7.740 1.205 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD13 . . . . . . . . . rr_1jdk 1
. 24 . 4642 . 1 1 2 ILE HG12 H -0.222 9.939 2.177 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG12 . . . . . . . . . rr_1jdk 1
. 24 . 4643 . 1 1 2 ILE HG13 H -1.198 10.117 0.733 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG13 . . . . . . . . . rr_1jdk 1
. 24 . 4644 . 1 1 2 ILE HG21 H -0.519 12.621 1.294 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG21 . . . . . . . . . rr_1jdk 1
. 24 . 4645 . 1 1 2 ILE HG22 H 0.701 12.119 2.456 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG22 . . . . . . . . . rr_1jdk 1
. 24 . 4646 . 1 1 2 ILE HG23 H 1.176 13.129 1.082 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG23 . . . . . . . . . rr_1jdk 1
. 24 . 4647 . 1 1 2 ILE N N 2.076 11.791 -1.568 . . . 1.0 . . . . . . . . . . . . A . 2 ILE N . . . . . . . . . rr_1jdk 1
. 24 . 4648 . 1 1 2 ILE O O -1.257 12.400 -1.111 . . . 1.0 . . . . . . . . . . . . A . 2 ILE O . . . . . . . . . rr_1jdk 1
. 24 . 4649 . 1 1 3 TRP C C -2.329 10.226 -4.498 . . . 1.0 . . . . . . . . . . . . A . 3 TRP C . . . . . . . . . rr_1jdk 1
. 24 . 4650 . 1 1 3 TRP CA C -1.991 11.514 -3.700 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CA . . . . . . . . . rr_1jdk 1
. 24 . 4651 . 1 1 3 TRP CB C -2.009 12.822 -4.533 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CB . . . . . . . . . rr_1jdk 1
. 24 . 4652 . 1 1 3 TRP CD1 C -0.873 12.888 -6.909 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD1 . . . . . . . . . rr_1jdk 1
. 24 . 4653 . 1 1 3 TRP CD2 C 0.333 13.699 -5.232 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD2 . . . . . . . . . rr_1jdk 1
. 24 . 4654 . 1 1 3 TRP CE2 C 1.041 13.877 -6.443 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE2 . . . . . . . . . rr_1jdk 1
. 24 . 4655 . 1 1 3 TRP CE3 C 0.863 14.162 -4.008 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE3 . . . . . . . . . rr_1jdk 1
. 24 . 4656 . 1 1 3 TRP CG C -0.864 13.085 -5.515 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CG . . . . . . . . . rr_1jdk 1
. 24 . 4657 . 1 1 3 TRP CH2 C 2.807 14.994 -5.220 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CH2 . . . . . . . . . rr_1jdk 1
. 24 . 4658 . 1 1 3 TRP CZ2 C 2.295 14.536 -6.438 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ2 . . . . . . . . . rr_1jdk 1
. 24 . 4659 . 1 1 3 TRP CZ3 C 2.099 14.810 -4.022 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ3 . . . . . . . . . rr_1jdk 1
. 24 . 4660 . 1 1 3 TRP H H 0.045 10.680 -3.374 . . . 1.0 . . . . . . . . . . . . A . 3 TRP H . . . . . . . . . rr_1jdk 1
. 24 . 4661 . 1 1 3 TRP HA H -2.802 11.689 -2.963 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HA . . . . . . . . . rr_1jdk 1
. 24 . 4662 . 1 1 3 TRP HB2 H -2.970 12.886 -5.078 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB2 . . . . . . . . . rr_1jdk 1
. 24 . 4663 . 1 1 3 TRP HB3 H -2.057 13.675 -3.829 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB3 . . . . . . . . . rr_1jdk 1
. 24 . 4664 . 1 1 3 TRP HD1 H -1.698 12.445 -7.451 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HD1 . . . . . . . . . rr_1jdk 1
. 24 . 4665 . 1 1 3 TRP HE1 H 0.560 13.370 -8.504 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE1 . . . . . . . . . rr_1jdk 1
. 24 . 4666 . 1 1 3 TRP HE3 H 0.309 13.980 -3.094 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE3 . . . . . . . . . rr_1jdk 1
. 24 . 4667 . 1 1 3 TRP HH2 H 3.763 15.496 -5.201 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HH2 . . . . . . . . . rr_1jdk 1
. 24 . 4668 . 1 1 3 TRP HZ2 H 2.846 14.685 -7.356 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ2 . . . . . . . . . rr_1jdk 1
. 24 . 4669 . 1 1 3 TRP HZ3 H 2.523 15.166 -3.094 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ3 . . . . . . . . . rr_1jdk 1
. 24 . 4670 . 1 1 3 TRP N N -0.740 11.190 -2.945 . . . 1.0 . . . . . . . . . . . . A . 3 TRP N . . . . . . . . . rr_1jdk 1
. 24 . 4671 . 1 1 3 TRP NE1 N 0.311 13.366 -7.508 . . . 1.0 . . . . . . . . . . . . A . 3 TRP NE1 . . . . . . . . . rr_1jdk 1
. 24 . 4672 . 1 1 3 TRP O O -1.877 10.034 -5.631 . . . 1.0 . . . . . . . . . . . . A . 3 TRP O . . . . . . . . . rr_1jdk 1
. 24 . 4673 . 1 1 4 GLY C C -2.913 6.942 -3.537 . . . 1.0 . . . . . . . . . . . . A . 4 GLY C . . . . . . . . . rr_1jdk 1
. 24 . 4674 . 1 1 4 GLY CA C -3.520 8.041 -4.431 . . . 1.0 . . . . . . . . . . . . A . 4 GLY CA . . . . . . . . . rr_1jdk 1
. 24 . 4675 . 1 1 4 GLY H H -3.464 9.696 -2.956 . . . 1.0 . . . . . . . . . . . . A . 4 GLY H . . . . . . . . . rr_1jdk 1
. 24 . 4676 . 1 1 4 GLY HA2 H -4.623 7.967 -4.490 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA2 . . . . . . . . . rr_1jdk 1
. 24 . 4677 . 1 1 4 GLY HA3 H -3.163 7.898 -5.470 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA3 . . . . . . . . . rr_1jdk 1
. 24 . 4678 . 1 1 4 GLY N N -3.128 9.353 -3.864 . . . 1.0 . . . . . . . . . . . . A . 4 GLY N . . . . . . . . . rr_1jdk 1
. 24 . 4679 . 1 1 4 GLY O O -1.716 6.656 -3.643 . . . 1.0 . . . . . . . . . . . . A . 4 GLY O . . . . . . . . . rr_1jdk 1
. 24 . 4680 . 1 1 5 GLU C C -3.763 3.903 -2.252 . . . 1.0 . . . . . . . . . . . . A . 5 GLU C . . . . . . . . . rr_1jdk 1
. 24 . 4681 . 1 1 5 GLU CA C -3.270 5.279 -1.717 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CA . . . . . . . . . rr_1jdk 1
. 24 . 4682 . 1 1 5 GLU CB C -3.720 5.583 -0.249 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CB . . . . . . . . . rr_1jdk 1
. 24 . 4683 . 1 1 5 GLU CD C -2.529 3.550 0.916 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CD . . . . . . . . . rr_1jdk 1
. 24 . 4684 . 1 1 5 GLU CG C -2.799 5.068 0.885 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CG . . . . . . . . . rr_1jdk 1
. 24 . 4685 . 1 1 5 GLU H H -4.725 6.564 -2.818 . . . 1.0 . . . . . . . . . . . . A . 5 GLU H . . . . . . . . . rr_1jdk 1
. 24 . 4686 . 1 1 5 GLU HA H -2.160 5.276 -1.688 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HA . . . . . . . . . rr_1jdk 1
. 24 . 4687 . 1 1 5 GLU HB2 H -3.790 6.676 -0.087 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB2 . . . . . . . . . rr_1jdk 1
. 24 . 4688 . 1 1 5 GLU HB3 H -4.748 5.219 -0.060 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB3 . . . . . . . . . rr_1jdk 1
. 24 . 4689 . 1 1 5 GLU HG2 H -1.854 5.645 0.871 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG2 . . . . . . . . . rr_1jdk 1
. 24 . 4690 . 1 1 5 GLU HG3 H -3.264 5.347 1.851 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG3 . . . . . . . . . rr_1jdk 1
. 24 . 4691 . 1 1 5 GLU N N -3.734 6.349 -2.652 . . . 1.0 . . . . . . . . . . . . A . 5 GLU N . . . . . . . . . rr_1jdk 1
. 24 . 4692 . 1 1 5 GLU O O -4.897 3.493 -1.980 . . . 1.0 . . . . . . . . . . . . A . 5 GLU O . . . . . . . . . rr_1jdk 1
. 24 . 4693 . 1 1 5 GLU OE1 O -3.418 2.774 1.273 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE1 . . . . . . . . . rr_1jdk 1
. 24 . 4694 . 1 1 6 SER C C -1.934 1.106 -4.015 . . . 1.0 . . . . . . . . . . . . A . 6 SER C . . . . . . . . . rr_1jdk 1
. 24 . 4695 . 1 1 6 SER CA C -3.247 1.875 -3.631 . . . 1.0 . . . . . . . . . . . . A . 6 SER CA . . . . . . . . . rr_1jdk 1
. 24 . 4696 . 1 1 6 SER CB C -4.187 1.975 -4.870 . . . 1.0 . . . . . . . . . . . . A . 6 SER CB . . . . . . . . . rr_1jdk 1
. 24 . 4697 . 1 1 6 SER H H -1.965 3.603 -3.071 . . . 1.0 . . . . . . . . . . . . A . 6 SER H . . . . . . . . . rr_1jdk 1
. 24 . 4698 . 1 1 6 SER HA H -3.780 1.316 -2.832 . . . 1.0 . . . . . . . . . . . . A . 6 SER HA . . . . . . . . . rr_1jdk 1
. 24 . 4699 . 1 1 6 SER HB2 H -3.752 2.610 -5.665 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB2 . . . . . . . . . rr_1jdk 1
. 24 . 4700 . 1 1 6 SER HB3 H -4.334 0.982 -5.343 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB3 . . . . . . . . . rr_1jdk 1
. 24 . 4701 . 1 1 6 SER HG H -5.322 3.129 -3.827 . . . 1.0 . . . . . . . . . . . . A . 6 SER HG . . . . . . . . . rr_1jdk 1
. 24 . 4702 . 1 1 6 SER N N -2.918 3.214 -3.044 . . . 1.0 . . . . . . . . . . . . A . 6 SER N . . . . . . . . . rr_1jdk 1
. 24 . 4703 . 1 1 6 SER O O -0.880 1.725 -4.205 . . . 1.0 . . . . . . . . . . . . A . 6 SER O . . . . . . . . . rr_1jdk 1
. 24 . 4704 . 1 1 6 SER OG O -5.471 2.472 -4.514 . . . 1.0 . . . . . . . . . . . . A . 6 SER OG . . . . . . . . . rr_1jdk 1
. 24 . 4705 . 1 1 7 GLY C C -0.299 -1.908 -3.330 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . rr_1jdk 1
. 24 . 4706 . 1 1 7 GLY CA C -0.793 -1.053 -4.514 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . rr_1jdk 1
. 24 . 4707 . 1 1 7 GLY H H -2.910 -0.684 -4.206 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . rr_1jdk 1
. 24 . 4708 . 1 1 7 GLY HA2 H -1.044 -1.674 -5.393 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . rr_1jdk 1
. 24 . 4709 . 1 1 7 GLY HA3 H 0.049 -0.421 -4.863 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . rr_1jdk 1
. 24 . 4710 . 1 1 7 GLY N N -1.985 -0.243 -4.157 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . rr_1jdk 1
. 24 . 4711 . 1 1 7 GLY O O 0.161 -1.352 -2.330 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . rr_1jdk 1
. 24 . 4712 . 1 1 8 LYS C C 1.626 -4.095 -2.022 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . rr_1jdk 1
. 24 . 4713 . 1 1 8 LYS CA C 0.102 -4.183 -2.370 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . rr_1jdk 1
. 24 . 4714 . 1 1 8 LYS CB C -0.407 -5.630 -2.627 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . rr_1jdk 1
. 24 . 4715 . 1 1 8 LYS CD C -0.428 -7.798 -4.075 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . rr_1jdk 1
. 24 . 4716 . 1 1 8 LYS CE C -1.904 -7.853 -4.515 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . rr_1jdk 1
. 24 . 4717 . 1 1 8 LYS CG C 0.129 -6.372 -3.880 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . rr_1jdk 1
. 24 . 4718 . 1 1 8 LYS H H -0.823 -3.614 -4.290 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . rr_1jdk 1
. 24 . 4719 . 1 1 8 LYS HA H -0.422 -3.867 -1.447 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . rr_1jdk 1
. 24 . 4720 . 1 1 8 LYS HB2 H -0.185 -6.243 -1.734 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . rr_1jdk 1
. 24 . 4721 . 1 1 8 LYS HB3 H -1.513 -5.604 -2.670 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . rr_1jdk 1
. 24 . 4722 . 1 1 8 LYS HD2 H 0.194 -8.305 -4.837 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . rr_1jdk 1
. 24 . 4723 . 1 1 8 LYS HD3 H -0.282 -8.384 -3.146 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . rr_1jdk 1
. 24 . 4724 . 1 1 8 LYS HE2 H -2.557 -7.387 -3.755 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . rr_1jdk 1
. 24 . 4725 . 1 1 8 LYS HE3 H -2.051 -7.277 -5.447 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . rr_1jdk 1
. 24 . 4726 . 1 1 8 LYS HG2 H -0.057 -5.774 -4.792 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . rr_1jdk 1
. 24 . 4727 . 1 1 8 LYS HG3 H 1.230 -6.447 -3.804 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . rr_1jdk 1
. 24 . 4728 . 1 1 8 LYS HZ1 H -3.312 -9.269 -5.062 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . rr_1jdk 1
. 24 . 4729 . 1 1 8 LYS HZ2 H -1.784 -9.682 -5.473 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . rr_1jdk 1
. 24 . 4730 . 1 1 8 LYS N N -0.367 -3.252 -3.446 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . rr_1jdk 1
. 24 . 4731 . 1 1 8 LYS NZ N -2.341 -9.245 -4.730 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . rr_1jdk 1
. 24 . 4732 . 1 1 8 LYS O O 1.973 -4.068 -0.839 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . rr_1jdk 1
. 24 . 4733 . 1 1 9 LEU C C 4.406 -2.459 -2.405 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . rr_1jdk 1
. 24 . 4734 . 1 1 9 LEU CA C 3.986 -3.909 -2.835 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . rr_1jdk 1
. 24 . 4735 . 1 1 9 LEU CB C 4.697 -4.408 -4.127 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . rr_1jdk 1
. 24 . 4736 . 1 1 9 LEU CD1 C 6.844 -5.407 -3.090 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . rr_1jdk 1
. 24 . 4737 . 1 1 9 LEU CD2 C 6.793 -4.763 -5.528 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . rr_1jdk 1
. 24 . 4738 . 1 1 9 LEU CG C 6.252 -4.428 -4.124 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . rr_1jdk 1
. 24 . 4739 . 1 1 9 LEU H H 2.095 -4.073 -3.970 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . rr_1jdk 1
. 24 . 4740 . 1 1 9 LEU HA H 4.280 -4.593 -2.014 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . rr_1jdk 1
. 24 . 4741 . 1 1 9 LEU HB2 H 4.336 -5.426 -4.372 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . rr_1jdk 1
. 24 . 4742 . 1 1 9 LEU HB3 H 4.359 -3.780 -4.976 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . rr_1jdk 1
. 24 . 4743 . 1 1 9 LEU HD11 H 7.949 -5.409 -3.114 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . rr_1jdk 1
. 24 . 4744 . 1 1 9 LEU HD12 H 6.556 -5.138 -2.058 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . rr_1jdk 1
. 24 . 4745 . 1 1 9 LEU HD13 H 6.510 -6.449 -3.263 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . rr_1jdk 1
. 24 . 4746 . 1 1 9 LEU HD21 H 7.898 -4.731 -5.558 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . rr_1jdk 1
. 24 . 4747 . 1 1 9 LEU HD22 H 6.484 -5.771 -5.865 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . rr_1jdk 1
. 24 . 4748 . 1 1 9 LEU HD23 H 6.436 -4.040 -6.285 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . rr_1jdk 1
. 24 . 4749 . 1 1 9 LEU HG H 6.608 -3.410 -3.874 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . rr_1jdk 1
. 24 . 4750 . 1 1 9 LEU N N 2.515 -4.041 -3.036 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . rr_1jdk 1
. 24 . 4751 . 1 1 9 LEU O O 5.181 -2.319 -1.455 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . rr_1jdk 1
. 24 . 4752 . 1 1 10 ILE C C 2.854 0.766 -2.716 . . . 1.0 . . . . . . . . . . . . A . 10 ILE C . . . . . . . . . rr_1jdk 1
. 24 . 4753 . 1 1 10 ILE CA C 4.221 0.010 -2.795 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CA . . . . . . . . . rr_1jdk 1
. 24 . 4754 . 1 1 10 ILE CB C 5.323 0.616 -3.750 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CB . . . . . . . . . rr_1jdk 1
. 24 . 4755 . 1 1 10 ILE CD1 C 7.095 1.482 -2.056 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CD1 . . . . . . . . . rr_1jdk 1
. 24 . 4756 . 1 1 10 ILE CG1 C 6.056 1.842 -3.130 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CG1 . . . . . . . . . rr_1jdk 1
. 24 . 4757 . 1 1 10 ILE CG2 C 4.880 0.977 -5.194 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CG2 . . . . . . . . . rr_1jdk 1
. 24 . 4758 . 1 1 10 ILE H H 3.188 -1.695 -3.770 . . . 1.0 . . . . . . . . . . . . A . 10 ILE H . . . . . . . . . rr_1jdk 1
. 24 . 4759 . 1 1 10 ILE HA H 4.660 0.042 -1.778 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HA . . . . . . . . . rr_1jdk 1
. 24 . 4760 . 1 1 10 ILE HB H 6.097 -0.167 -3.884 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HB . . . . . . . . . rr_1jdk 1
. 24 . 4761 . 1 1 10 ILE HD11 H 7.614 2.383 -1.686 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD11 . . . . . . . . . rr_1jdk 1
. 24 . 4762 . 1 1 10 ILE HD12 H 6.641 0.982 -1.181 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD12 . . . . . . . . . rr_1jdk 1
. 24 . 4763 . 1 1 10 ILE HD13 H 7.872 0.804 -2.457 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD13 . . . . . . . . . rr_1jdk 1
. 24 . 4764 . 1 1 10 ILE HG12 H 6.598 2.406 -3.914 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG12 . . . . . . . . . rr_1jdk 1
. 24 . 4765 . 1 1 10 ILE HG13 H 5.322 2.564 -2.723 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG13 . . . . . . . . . rr_1jdk 1
. 24 . 4766 . 1 1 10 ILE HG21 H 4.350 0.146 -5.691 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG21 . . . . . . . . . rr_1jdk 1
. 24 . 4767 . 1 1 10 ILE HG22 H 4.212 1.860 -5.221 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG22 . . . . . . . . . rr_1jdk 1
. 24 . 4768 . 1 1 10 ILE HG23 H 5.747 1.229 -5.836 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG23 . . . . . . . . . rr_1jdk 1
. 24 . 4769 . 1 1 10 ILE N N 3.921 -1.414 -3.110 . . . 1.0 . . . . . . . . . . . . A . 10 ILE N . . . . . . . . . rr_1jdk 1
. 24 . 4770 . 1 1 10 ILE O O 2.245 1.082 -3.742 . . . 1.0 . . . . . . . . . . . . A . 10 ILE O . . . . . . . . . rr_1jdk 1
. 24 . 4771 . 1 1 11 . C C 1.103 3.275 -1.658 . . . 1.0 . . . . . . . . . . . . A . 11 DAB C . . . . . . . . . rr_1jdk 1
. 24 . 4772 . 1 1 11 . CA C 1.072 1.758 -1.267 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CA . . . . . . . . . rr_1jdk 1
. 24 . 4773 . 1 1 11 . CB C 0.582 1.499 0.188 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CB . . . . . . . . . rr_1jdk 1
. 24 . 4774 . 1 1 11 . CG C -0.924 1.723 0.472 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CG . . . . . . . . . rr_1jdk 1
. 24 . 4775 . 1 1 11 . H H 2.843 0.547 -0.722 . . . 1.0 . . . . . . . . . . . . A . 11 DAB H . . . . . . . . . rr_1jdk 1
. 24 . 4776 . 1 1 11 . HA H 0.325 1.280 -1.930 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HA . . . . . . . . . rr_1jdk 1
. 24 . 4777 . 1 1 11 . HB2 H 0.774 0.438 0.442 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HB2 . . . . . . . . . rr_1jdk 1
. 24 . 4778 . 1 1 11 . HB3 H 1.197 2.069 0.911 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HB3 . . . . . . . . . rr_1jdk 1
. 24 . 4779 . 1 1 11 . HD2 H -0.658 3.897 0.266 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HD2 . . . . . . . . . rr_1jdk 1
. 24 . 4780 . 1 1 11 . HG2 H -1.536 1.207 -0.294 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HG2 . . . . . . . . . rr_1jdk 1
. 24 . 4781 . 1 1 11 . HG3 H -1.177 1.231 1.433 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HG3 . . . . . . . . . rr_1jdk 1
. 24 . 4782 . 1 1 11 . N N 2.363 1.033 -1.488 . . . 1.0 . . . . . . . . . . . . A . 11 DAB N . . . . . . . . . rr_1jdk 1
. 24 . 4783 . 1 1 11 . ND N -1.304 3.150 0.544 . . . 1.0 . . . . . . . . . . . . A . 11 DAB ND . . . . . . . . . rr_1jdk 1
. 24 . 4784 . 1 1 11 . O O 0.119 3.764 -2.223 . . . 1.0 . . . . . . . . . . . . A . 11 DAB O . . . . . . . . . rr_1jdk 1
. 24 . 4785 . 1 1 12 THR C C 2.603 5.585 -3.241 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_1jdk 1
. 24 . 4786 . 1 1 12 THR CA C 2.326 5.463 -1.708 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_1jdk 1
. 24 . 4787 . 1 1 12 THR CB C 3.419 6.167 -0.838 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_1jdk 1
. 24 . 4788 . 1 1 12 THR CG2 C 3.535 7.684 -1.071 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_1jdk 1
. 24 . 4789 . 1 1 12 THR H H 2.929 3.479 -0.884 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_1jdk 1
. 24 . 4790 . 1 1 12 THR HA H 1.367 5.964 -1.459 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_1jdk 1
. 24 . 4791 . 1 1 12 THR HB H 4.416 5.734 -1.050 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_1jdk 1
. 24 . 4792 . 1 1 12 THR HG1 H 2.313 6.444 0.715 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG1 . . . . . . . . . rr_1jdk 1
. 24 . 4793 . 1 1 12 THR HG21 H 3.868 7.915 -2.100 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_1jdk 1
. 24 . 4794 . 1 1 12 THR HG22 H 2.575 8.207 -0.918 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_1jdk 1
. 24 . 4795 . 1 1 12 THR HG23 H 4.273 8.143 -0.387 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_1jdk 1
. 24 . 4796 . 1 1 12 THR N N 2.194 4.016 -1.358 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_1jdk 1
. 24 . 4797 . 1 1 12 THR O O 3.718 5.327 -3.707 . . . 1.0 . . . . . . . . . . . . A . 12 THR O . . . . . . . . . rr_1jdk 1
. 24 . 4798 . 1 1 12 THR OG1 O 3.138 5.984 0.547 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_1jdk 1
. 24 . 4799 . 1 1 13 THR C C 1.164 7.562 -5.824 . . . 1.0 . . . . . . . . . . . . A . 13 THR C . . . . . . . . . rr_1jdk 1
. 24 . 4800 . 1 1 13 THR CA C 1.629 6.121 -5.476 . . . 1.0 . . . . . . . . . . . . A . 13 THR CA . . . . . . . . . rr_1jdk 1
. 24 . 4801 . 1 1 13 THR CB C 0.786 5.038 -6.219 . . . 1.0 . . . . . . . . . . . . A . 13 THR CB . . . . . . . . . rr_1jdk 1
. 24 . 4802 . 1 1 13 THR CG2 C 1.337 3.607 -6.091 . . . 1.0 . . . . . . . . . . . . A . 13 THR CG2 . . . . . . . . . rr_1jdk 1
. 24 . 4803 . 1 1 13 THR H H 0.679 6.090 -3.486 . . . 1.0 . . . . . . . . . . . . A . 13 THR H . . . . . . . . . rr_1jdk 1
. 24 . 4804 . 1 1 13 THR HA H 2.675 5.994 -5.827 . . . 1.0 . . . . . . . . . . . . A . 13 THR HA . . . . . . . . . rr_1jdk 1
. 24 . 4805 . 1 1 13 THR HB H 0.784 5.285 -7.299 . . . 1.0 . . . . . . . . . . . . A . 13 THR HB . . . . . . . . . rr_1jdk 1
. 24 . 4806 . 1 1 13 THR HG1 H -0.815 5.948 -5.641 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG1 . . . . . . . . . rr_1jdk 1
. 24 . 4807 . 1 1 13 THR HG21 H 1.334 3.261 -5.040 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG21 . . . . . . . . . rr_1jdk 1
. 24 . 4808 . 1 1 13 THR HG22 H 0.729 2.887 -6.669 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG22 . . . . . . . . . rr_1jdk 1
. 24 . 4809 . 1 1 13 THR HG23 H 2.377 3.532 -6.460 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG23 . . . . . . . . . rr_1jdk 1
. 24 . 4810 . 1 1 13 THR N N 1.561 5.969 -3.996 . . . 1.0 . . . . . . . . . . . . A . 13 THR N . . . . . . . . . rr_1jdk 1
. 24 . 4811 . 1 1 13 THR O O -0.013 7.898 -5.663 . . . 1.0 . . . . . . . . . . . . A . 13 THR O . . . . . . . . . rr_1jdk 1
. 24 . 4812 . 1 1 13 THR OG1 O -0.570 5.028 -5.774 . . . 1.0 . . . . . . . . . . . . A . 13 THR OG1 . . . . . . . . . rr_1jdk 1
. 24 . 4813 . 1 1 14 ALA C C 1.121 9.895 -8.085 . . . 1.0 . . . . . . . . . . . . A . 14 ALA C . . . . . . . . . rr_1jdk 1
. 24 . 4814 . 1 1 14 ALA CA C 1.796 9.806 -6.695 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CA . . . . . . . . . rr_1jdk 1
. 24 . 4815 . 1 1 14 ALA CB C 3.117 10.596 -6.626 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CB . . . . . . . . . rr_1jdk 1
. 24 . 4816 . 1 1 14 ALA H H 3.036 8.009 -6.397 . . . 1.0 . . . . . . . . . . . . A . 14 ALA H . . . . . . . . . rr_1jdk 1
. 24 . 4817 . 1 1 14 ALA HXT H -0.550 9.713 -7.094 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HXT . . . . . . . . . rr_1jdk 1
. 24 . 4818 . 1 1 14 ALA HA H 1.116 10.257 -5.944 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HA . . . . . . . . . rr_1jdk 1
. 24 . 4819 . 1 1 14 ALA HB1 H 3.573 10.552 -5.620 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB1 . . . . . . . . . rr_1jdk 1
. 24 . 4820 . 1 1 14 ALA HB2 H 3.871 10.221 -7.344 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB2 . . . . . . . . . rr_1jdk 1
. 24 . 4821 . 1 1 14 ALA HB3 H 2.960 11.665 -6.855 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB3 . . . . . . . . . rr_1jdk 1
. 24 . 4822 . 1 1 14 ALA N N 2.091 8.401 -6.323 . . . 1.0 . . . . . . . . . . . . A . 14 ALA N . . . . . . . . . rr_1jdk 1
. 24 . 4823 . 1 1 14 ALA O O 1.734 10.007 -9.148 . . . 1.0 . . . . . . . . . . . . A . 14 ALA O . . . . . . . . . rr_1jdk 1
. 24 . 4824 . 1 1 14 ALA OXT O -0.247 9.821 -8.000 . . . 1.0 . . . . . . . . . . . . A . 14 ALA OXT . . . . . . . . . rr_1jdk 1
. 25 . 4825 . 1 1 1 ACE C C 3.851 15.222 -3.299 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . rr_1jdk 1
. 25 . 4826 . 1 1 1 ACE CH3 C 5.314 15.621 -3.115 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . rr_1jdk 1
. 25 . 4827 . 1 1 1 ACE H1 H 6.007 14.758 -3.090 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . rr_1jdk 1
. 25 . 4828 . 1 1 1 ACE H2 H 5.640 16.285 -3.936 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . rr_1jdk 1
. 25 . 4829 . 1 1 1 ACE H3 H 5.450 16.174 -2.168 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . rr_1jdk 1
. 25 . 4830 . 1 1 1 ACE O O 2.960 16.044 -3.076 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . rr_1jdk 1
. 25 . 4831 . 1 1 2 ILE C C 2.268 11.889 -3.647 . . . 1.0 . . . . . . . . . . . . A . 2 ILE C . . . . . . . . . rr_1jdk 1
. 25 . 4832 . 1 1 2 ILE CA C 2.255 13.425 -3.950 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CA . . . . . . . . . rr_1jdk 1
. 25 . 4833 . 1 1 2 ILE CB C 1.700 13.861 -5.364 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CB . . . . . . . . . rr_1jdk 1
. 25 . 4834 . 1 1 2 ILE CD1 C -0.588 14.917 -4.785 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CD1 . . . . . . . . . rr_1jdk 1
. 25 . 4835 . 1 1 2 ILE CG1 C 0.152 13.760 -5.474 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG1 . . . . . . . . . rr_1jdk 1
. 25 . 4836 . 1 1 2 ILE CG2 C 2.360 13.203 -6.603 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG2 . . . . . . . . . rr_1jdk 1
. 25 . 4837 . 1 1 2 ILE H H 4.463 13.388 -3.783 . . . 1.0 . . . . . . . . . . . . A . 2 ILE H . . . . . . . . . rr_1jdk 1
. 25 . 4838 . 1 1 2 ILE HA H 1.589 13.895 -3.198 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HA . . . . . . . . . rr_1jdk 1
. 25 . 4839 . 1 1 2 ILE HB H 1.937 14.938 -5.481 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HB . . . . . . . . . rr_1jdk 1
. 25 . 4840 . 1 1 2 ILE HD11 H -0.288 15.895 -5.208 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD11 . . . . . . . . . rr_1jdk 1
. 25 . 4841 . 1 1 2 ILE HD12 H -1.681 14.829 -4.918 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD12 . . . . . . . . . rr_1jdk 1
. 25 . 4842 . 1 1 2 ILE HD13 H -0.388 14.954 -3.699 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD13 . . . . . . . . . rr_1jdk 1
. 25 . 4843 . 1 1 2 ILE HG12 H -0.164 13.767 -6.536 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG12 . . . . . . . . . rr_1jdk 1
. 25 . 4844 . 1 1 2 ILE HG13 H -0.204 12.790 -5.078 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG13 . . . . . . . . . rr_1jdk 1
. 25 . 4845 . 1 1 2 ILE HG21 H 2.109 12.133 -6.697 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG21 . . . . . . . . . rr_1jdk 1
. 25 . 4846 . 1 1 2 ILE HG22 H 2.031 13.685 -7.544 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG22 . . . . . . . . . rr_1jdk 1
. 25 . 4847 . 1 1 2 ILE HG23 H 3.462 13.283 -6.578 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG23 . . . . . . . . . rr_1jdk 1
. 25 . 4848 . 1 1 2 ILE N N 3.623 13.968 -3.714 . . . 1.0 . . . . . . . . . . . . A . 2 ILE N . . . . . . . . . rr_1jdk 1
. 25 . 4849 . 1 1 2 ILE O O 2.784 11.100 -4.446 . . . 1.0 . . . . . . . . . . . . A . 2 ILE O . . . . . . . . . rr_1jdk 1
. 25 . 4850 . 1 1 3 TRP C C 0.187 9.707 -1.732 . . . 1.0 . . . . . . . . . . . . A . 3 TRP C . . . . . . . . . rr_1jdk 1
. 25 . 4851 . 1 1 3 TRP CA C 1.665 10.029 -2.086 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CA . . . . . . . . . rr_1jdk 1
. 25 . 4852 . 1 1 3 TRP CB C 2.618 9.674 -0.912 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CB . . . . . . . . . rr_1jdk 1
. 25 . 4853 . 1 1 3 TRP CD1 C 5.085 9.014 -1.606 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD1 . . . . . . . . . rr_1jdk 1
. 25 . 4854 . 1 1 3 TRP CD2 C 4.788 11.103 -0.914 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD2 . . . . . . . . . rr_1jdk 1
. 25 . 4855 . 1 1 3 TRP CE2 C 6.157 10.898 -1.204 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE2 . . . . . . . . . rr_1jdk 1
. 25 . 4856 . 1 1 3 TRP CE3 C 4.323 12.363 -0.472 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE3 . . . . . . . . . rr_1jdk 1
. 25 . 4857 . 1 1 3 TRP CG C 4.110 9.927 -1.154 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CG . . . . . . . . . rr_1jdk 1
. 25 . 4858 . 1 1 3 TRP CH2 C 6.613 13.189 -0.567 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CH2 . . . . . . . . . rr_1jdk 1
. 25 . 4859 . 1 1 3 TRP CZ2 C 7.083 11.955 -1.026 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ2 . . . . . . . . . rr_1jdk 1
. 25 . 4860 . 1 1 3 TRP CZ3 C 5.252 13.390 -0.297 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ3 . . . . . . . . . rr_1jdk 1
. 25 . 4861 . 1 1 3 TRP H H 1.472 12.198 -1.812 . . . 1.0 . . . . . . . . . . . . A . 3 TRP H . . . . . . . . . rr_1jdk 1
. 25 . 4862 . 1 1 3 TRP HA H 1.986 9.379 -2.925 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HA . . . . . . . . . rr_1jdk 1
. 25 . 4863 . 1 1 3 TRP HB2 H 2.307 10.218 0.002 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB2 . . . . . . . . . rr_1jdk 1
. 25 . 4864 . 1 1 3 TRP HB3 H 2.484 8.610 -0.649 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB3 . . . . . . . . . rr_1jdk 1
. 25 . 4865 . 1 1 3 TRP HD1 H 4.884 7.990 -1.881 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HD1 . . . . . . . . . rr_1jdk 1
. 25 . 4866 . 1 1 3 TRP HE1 H 7.254 9.165 -1.923 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE1 . . . . . . . . . rr_1jdk 1
. 25 . 4867 . 1 1 3 TRP HE3 H 3.258 12.510 -0.327 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE3 . . . . . . . . . rr_1jdk 1
. 25 . 4868 . 1 1 3 TRP HH2 H 7.307 14.005 -0.430 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HH2 . . . . . . . . . rr_1jdk 1
. 25 . 4869 . 1 1 3 TRP HZ2 H 8.133 11.814 -1.240 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ2 . . . . . . . . . rr_1jdk 1
. 25 . 4870 . 1 1 3 TRP HZ3 H 4.912 14.362 0.032 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ3 . . . . . . . . . rr_1jdk 1
. 25 . 4871 . 1 1 3 TRP N N 1.719 11.466 -2.486 . . . 1.0 . . . . . . . . . . . . A . 3 TRP N . . . . . . . . . rr_1jdk 1
. 25 . 4872 . 1 1 3 TRP NE1 N 6.367 9.600 -1.645 . . . 1.0 . . . . . . . . . . . . A . 3 TRP NE1 . . . . . . . . . rr_1jdk 1
. 25 . 4873 . 1 1 3 TRP O O -0.262 9.895 -0.595 . . . 1.0 . . . . . . . . . . . . A . 3 TRP O . . . . . . . . . rr_1jdk 1
. 25 . 4874 . 1 1 4 GLY C C -2.222 7.459 -1.983 . . . 1.0 . . . . . . . . . . . . A . 4 GLY C . . . . . . . . . rr_1jdk 1
. 25 . 4875 . 1 1 4 GLY CA C -1.996 8.865 -2.578 . . . 1.0 . . . . . . . . . . . . A . 4 GLY CA . . . . . . . . . rr_1jdk 1
. 25 . 4876 . 1 1 4 GLY H H -0.038 9.227 -3.622 . . . 1.0 . . . . . . . . . . . . A . 4 GLY H . . . . . . . . . rr_1jdk 1
. 25 . 4877 . 1 1 4 GLY HA2 H -2.519 9.596 -1.927 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA2 . . . . . . . . . rr_1jdk 1
. 25 . 4878 . 1 1 4 GLY HA3 H -2.510 8.973 -3.553 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA3 . . . . . . . . . rr_1jdk 1
. 25 . 4879 . 1 1 4 GLY N N -0.560 9.228 -2.736 . . . 1.0 . . . . . . . . . . . . A . 4 GLY N . . . . . . . . . rr_1jdk 1
. 25 . 4880 . 1 1 4 GLY O O -1.847 7.215 -0.832 . . . 1.0 . . . . . . . . . . . . A . 4 GLY O . . . . . . . . . rr_1jdk 1
. 25 . 4881 . 1 1 5 GLU C C -3.047 4.135 -3.454 . . . 1.0 . . . . . . . . . . . . A . 5 GLU C . . . . . . . . . rr_1jdk 1
. 25 . 4882 . 1 1 5 GLU CA C -3.147 5.166 -2.283 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CA . . . . . . . . . rr_1jdk 1
. 25 . 4883 . 1 1 5 GLU CB C -4.528 5.089 -1.546 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CB . . . . . . . . . rr_1jdk 1
. 25 . 4884 . 1 1 5 GLU CD C -4.061 3.134 0.113 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CD . . . . . . . . . rr_1jdk 1
. 25 . 4885 . 1 1 5 GLU CG C -4.482 4.609 -0.071 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CG . . . . . . . . . rr_1jdk 1
. 25 . 4886 . 1 1 5 GLU H H -3.098 6.866 -3.698 . . . 1.0 . . . . . . . . . . . . A . 5 GLU H . . . . . . . . . rr_1jdk 1
. 25 . 4887 . 1 1 5 GLU HA H -2.377 4.916 -1.535 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HA . . . . . . . . . rr_1jdk 1
. 25 . 4888 . 1 1 5 GLU HB2 H -5.026 6.079 -1.545 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB2 . . . . . . . . . rr_1jdk 1
. 25 . 4889 . 1 1 5 GLU HB3 H -5.243 4.453 -2.104 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB3 . . . . . . . . . rr_1jdk 1
. 25 . 4890 . 1 1 5 GLU HG2 H -3.856 5.293 0.537 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG2 . . . . . . . . . rr_1jdk 1
. 25 . 4891 . 1 1 5 GLU HG3 H -5.494 4.728 0.370 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG3 . . . . . . . . . rr_1jdk 1
. 25 . 4892 . 1 1 5 GLU N N -2.855 6.551 -2.753 . . . 1.0 . . . . . . . . . . . . A . 5 GLU N . . . . . . . . . rr_1jdk 1
. 25 . 4893 . 1 1 5 GLU O O -3.621 4.350 -4.527 . . . 1.0 . . . . . . . . . . . . A . 5 GLU O . . . . . . . . . rr_1jdk 1
. 25 . 4894 . 1 1 5 GLU OE1 O -4.881 2.240 -0.108 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE1 . . . . . . . . . rr_1jdk 1
. 25 . 4895 . 1 1 6 SER C C -2.486 0.576 -3.524 . . . 1.0 . . . . . . . . . . . . A . 6 SER C . . . . . . . . . rr_1jdk 1
. 25 . 4896 . 1 1 6 SER CA C -2.165 1.921 -4.247 . . . 1.0 . . . . . . . . . . . . A . 6 SER CA . . . . . . . . . rr_1jdk 1
. 25 . 4897 . 1 1 6 SER CB C -0.851 2.000 -5.081 . . . 1.0 . . . . . . . . . . . . A . 6 SER CB . . . . . . . . . rr_1jdk 1
. 25 . 4898 . 1 1 6 SER H H -1.948 2.952 -2.279 . . . 1.0 . . . . . . . . . . . . A . 6 SER H . . . . . . . . . rr_1jdk 1
. 25 . 4899 . 1 1 6 SER HA H -2.974 2.012 -4.999 . . . 1.0 . . . . . . . . . . . . A . 6 SER HA . . . . . . . . . rr_1jdk 1
. 25 . 4900 . 1 1 6 SER HB2 H 0.050 1.797 -4.475 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB2 . . . . . . . . . rr_1jdk 1
. 25 . 4901 . 1 1 6 SER HB3 H -0.843 1.219 -5.872 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB3 . . . . . . . . . rr_1jdk 1
. 25 . 4902 . 1 1 6 SER HG H -1.581 3.495 -6.064 . . . 1.0 . . . . . . . . . . . . A . 6 SER HG . . . . . . . . . rr_1jdk 1
. 25 . 4903 . 1 1 6 SER N N -2.322 3.016 -3.236 . . . 1.0 . . . . . . . . . . . . A . 6 SER N . . . . . . . . . rr_1jdk 1
. 25 . 4904 . 1 1 6 SER O O -3.654 0.397 -3.158 . . . 1.0 . . . . . . . . . . . . A . 6 SER O . . . . . . . . . rr_1jdk 1
. 25 . 4905 . 1 1 6 SER OG O -0.716 3.271 -5.710 . . . 1.0 . . . . . . . . . . . . A . 6 SER OG . . . . . . . . . rr_1jdk 1
. 25 . 4906 . 1 1 7 GLY C C -0.771 -2.703 -2.536 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . rr_1jdk 1
. 25 . 4907 . 1 1 7 GLY CA C -1.874 -1.634 -2.607 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . rr_1jdk 1
. 25 . 4908 . 1 1 7 GLY H H -0.621 -0.206 -3.736 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . rr_1jdk 1
. 25 . 4909 . 1 1 7 GLY HA2 H -2.179 -1.393 -1.570 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . rr_1jdk 1
. 25 . 4910 . 1 1 7 GLY HA3 H -2.781 -2.085 -3.059 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . rr_1jdk 1
. 25 . 4911 . 1 1 7 GLY N N -1.539 -0.369 -3.305 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . rr_1jdk 1
. 25 . 4912 . 1 1 7 GLY O O -0.108 -2.832 -1.503 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . rr_1jdk 1
. 25 . 4913 . 1 1 8 LYS C C 1.871 -4.282 -3.338 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . rr_1jdk 1
. 25 . 4914 . 1 1 8 LYS CA C 0.389 -4.590 -3.723 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . rr_1jdk 1
. 25 . 4915 . 1 1 8 LYS CB C 0.290 -5.280 -5.115 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . rr_1jdk 1
. 25 . 4916 . 1 1 8 LYS CD C -1.053 -6.694 -6.794 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . rr_1jdk 1
. 25 . 4917 . 1 1 8 LYS CE C -2.380 -7.416 -7.083 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . rr_1jdk 1
. 25 . 4918 . 1 1 8 LYS CG C -1.041 -6.011 -5.412 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . rr_1jdk 1
. 25 . 4919 . 1 1 8 LYS H H -1.225 -3.242 -4.409 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . rr_1jdk 1
. 25 . 4920 . 1 1 8 LYS HA H 0.053 -5.348 -2.987 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . rr_1jdk 1
. 25 . 4921 . 1 1 8 LYS HB2 H 0.495 -4.541 -5.914 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . rr_1jdk 1
. 25 . 4922 . 1 1 8 LYS HB3 H 1.104 -6.025 -5.205 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . rr_1jdk 1
. 25 . 4923 . 1 1 8 LYS HD2 H -0.861 -5.937 -7.579 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . rr_1jdk 1
. 25 . 4924 . 1 1 8 LYS HD3 H -0.213 -7.413 -6.856 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . rr_1jdk 1
. 25 . 4925 . 1 1 8 LYS HE2 H -2.578 -8.186 -6.312 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . rr_1jdk 1
. 25 . 4926 . 1 1 8 LYS HE3 H -3.226 -6.705 -7.035 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . rr_1jdk 1
. 25 . 4927 . 1 1 8 LYS HG2 H -1.230 -6.765 -4.624 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . rr_1jdk 1
. 25 . 4928 . 1 1 8 LYS HG3 H -1.883 -5.294 -5.350 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . rr_1jdk 1
. 25 . 4929 . 1 1 8 LYS HZ1 H -3.232 -8.566 -8.578 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . rr_1jdk 1
. 25 . 4930 . 1 1 8 LYS HZ2 H -1.612 -8.756 -8.457 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . rr_1jdk 1
. 25 . 4931 . 1 1 8 LYS N N -0.596 -3.467 -3.631 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . rr_1jdk 1
. 25 . 4932 . 1 1 8 LYS NZ N -2.358 -8.053 -8.412 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . rr_1jdk 1
. 25 . 4933 . 1 1 8 LYS O O 2.384 -4.906 -2.406 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . rr_1jdk 1
. 25 . 4934 . 1 1 9 LEU C C 4.096 -2.099 -2.455 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . rr_1jdk 1
. 25 . 4935 . 1 1 9 LEU CA C 3.966 -2.987 -3.733 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . rr_1jdk 1
. 25 . 4936 . 1 1 9 LEU CB C 4.609 -2.381 -5.019 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . rr_1jdk 1
. 25 . 4937 . 1 1 9 LEU CD1 C 7.020 -3.284 -4.792 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . rr_1jdk 1
. 25 . 4938 . 1 1 9 LEU CD2 C 6.552 -1.258 -6.218 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . rr_1jdk 1
. 25 . 4939 . 1 1 9 LEU CG C 6.126 -2.039 -4.960 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . rr_1jdk 1
. 25 . 4940 . 1 1 9 LEU H H 2.016 -2.896 -4.785 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . rr_1jdk 1
. 25 . 4941 . 1 1 9 LEU HA H 4.513 -3.928 -3.527 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . rr_1jdk 1
. 25 . 4942 . 1 1 9 LEU HB2 H 4.440 -3.069 -5.871 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . rr_1jdk 1
. 25 . 4943 . 1 1 9 LEU HB3 H 4.050 -1.463 -5.288 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . rr_1jdk 1
. 25 . 4944 . 1 1 9 LEU HD11 H 6.883 -4.010 -5.616 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . rr_1jdk 1
. 25 . 4945 . 1 1 9 LEU HD12 H 8.093 -3.016 -4.767 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . rr_1jdk 1
. 25 . 4946 . 1 1 9 LEU HD13 H 6.810 -3.816 -3.847 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . rr_1jdk 1
. 25 . 4947 . 1 1 9 LEU HD21 H 5.970 -0.324 -6.334 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . rr_1jdk 1
. 25 . 4948 . 1 1 9 LEU HD22 H 7.617 -0.962 -6.175 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . rr_1jdk 1
. 25 . 4949 . 1 1 9 LEU HD23 H 6.413 -1.848 -7.144 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . rr_1jdk 1
. 25 . 4950 . 1 1 9 LEU HG H 6.303 -1.375 -4.093 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . rr_1jdk 1
. 25 . 4951 . 1 1 9 LEU N N 2.550 -3.347 -4.035 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . rr_1jdk 1
. 25 . 4952 . 1 1 9 LEU O O 4.743 -2.514 -1.487 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . rr_1jdk 1
. 25 . 4953 . 1 1 10 ILE C C 2.215 0.891 -1.400 . . . 1.0 . . . . . . . . . . . . A . 10 ILE C . . . . . . . . . rr_1jdk 1
. 25 . 4954 . 1 1 10 ILE CA C 3.535 0.059 -1.322 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CA . . . . . . . . . rr_1jdk 1
. 25 . 4955 . 1 1 10 ILE CB C 4.873 0.902 -1.314 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CB . . . . . . . . . rr_1jdk 1
. 25 . 4956 . 1 1 10 ILE CD1 C 6.034 0.295 0.919 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CD1 . . . . . . . . . rr_1jdk 1
. 25 . 4957 . 1 1 10 ILE CG1 C 5.292 1.372 0.109 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CG1 . . . . . . . . . rr_1jdk 1
. 25 . 4958 . 1 1 10 ILE CG2 C 4.928 2.097 -2.301 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CG2 . . . . . . . . . rr_1jdk 1
. 25 . 4959 . 1 1 10 ILE H H 2.967 -0.693 -3.314 . . . 1.0 . . . . . . . . . . . . A . 10 ILE H . . . . . . . . . rr_1jdk 1
. 25 . 4960 . 1 1 10 ILE HA H 3.502 -0.543 -0.391 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HA . . . . . . . . . rr_1jdk 1
. 25 . 4961 . 1 1 10 ILE HB H 5.687 0.234 -1.660 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HB . . . . . . . . . rr_1jdk 1
. 25 . 4962 . 1 1 10 ILE HD11 H 5.424 -0.614 1.069 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD11 . . . . . . . . . rr_1jdk 1
. 25 . 4963 . 1 1 10 ILE HD12 H 6.968 -0.019 0.413 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD12 . . . . . . . . . rr_1jdk 1
. 25 . 4964 . 1 1 10 ILE HD13 H 6.326 0.670 1.917 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD13 . . . . . . . . . rr_1jdk 1
. 25 . 4965 . 1 1 10 ILE HG12 H 5.968 2.246 0.050 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG12 . . . . . . . . . rr_1jdk 1
. 25 . 4966 . 1 1 10 ILE HG13 H 4.411 1.736 0.671 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG13 . . . . . . . . . rr_1jdk 1
. 25 . 4967 . 1 1 10 ILE HG21 H 4.226 2.905 -2.017 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG21 . . . . . . . . . rr_1jdk 1
. 25 . 4968 . 1 1 10 ILE HG22 H 5.937 2.550 -2.344 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG22 . . . . . . . . . rr_1jdk 1
. 25 . 4969 . 1 1 10 ILE HG23 H 4.676 1.788 -3.332 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG23 . . . . . . . . . rr_1jdk 1
. 25 . 4970 . 1 1 10 ILE N N 3.502 -0.892 -2.464 . . . 1.0 . . . . . . . . . . . . A . 10 ILE N . . . . . . . . . rr_1jdk 1
. 25 . 4971 . 1 1 10 ILE O O 1.908 1.456 -2.457 . . . 1.0 . . . . . . . . . . . . A . 10 ILE O . . . . . . . . . rr_1jdk 1
. 25 . 4972 . 1 1 11 . C C 0.386 3.319 -0.466 . . . 1.0 . . . . . . . . . . . . A . 11 DAB C . . . . . . . . . rr_1jdk 1
. 25 . 4973 . 1 1 11 . CA C 0.161 1.780 -0.312 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CA . . . . . . . . . rr_1jdk 1
. 25 . 4974 . 1 1 11 . CB C -0.750 1.408 0.896 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CB . . . . . . . . . rr_1jdk 1
. 25 . 4975 . 1 1 11 . CG C -2.278 1.512 0.660 . . . 1.0 . . . . . . . . . . . . A . 11 DAB CG . . . . . . . . . rr_1jdk 1
. 25 . 4976 . 1 1 11 . H H 1.624 0.329 0.452 . . . 1.0 . . . . . . . . . . . . A . 11 DAB H . . . . . . . . . rr_1jdk 1
. 25 . 4977 . 1 1 11 . HA H -0.393 1.455 -1.216 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HA . . . . . . . . . rr_1jdk 1
. 25 . 4978 . 1 1 11 . HB2 H -0.569 0.352 1.178 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HB2 . . . . . . . . . rr_1jdk 1
. 25 . 4979 . 1 1 11 . HB3 H -0.461 1.981 1.798 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HB3 . . . . . . . . . rr_1jdk 1
. 25 . 4980 . 1 1 11 . HD2 H -2.212 3.721 0.653 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HD2 . . . . . . . . . rr_1jdk 1
. 25 . 4981 . 1 1 11 . HG2 H -2.552 0.900 -0.222 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HG2 . . . . . . . . . rr_1jdk 1
. 25 . 4982 . 1 1 11 . HG3 H -2.800 1.037 1.513 . . . 1.0 . . . . . . . . . . . . A . 11 DAB HG3 . . . . . . . . . rr_1jdk 1
. 25 . 4983 . 1 1 11 . N N 1.426 0.988 -0.307 . . . 1.0 . . . . . . . . . . . . A . 11 DAB N . . . . . . . . . rr_1jdk 1
. 25 . 4984 . 1 1 11 . ND N -2.797 2.891 0.503 . . . 1.0 . . . . . . . . . . . . A . 11 DAB ND . . . . . . . . . rr_1jdk 1
. 25 . 4985 . 1 1 11 . O O -0.282 3.912 -1.309 . . . 1.0 . . . . . . . . . . . . A . 11 DAB O . . . . . . . . . rr_1jdk 1
. 25 . 4986 . 1 1 12 THR C C 2.379 5.798 -1.123 . . . 1.0 . . . . . . . . . . . . A . 12 THR C . . . . . . . . . rr_1jdk 1
. 25 . 4987 . 1 1 12 THR CA C 1.552 5.441 0.157 . . . 1.0 . . . . . . . . . . . . A . 12 THR CA . . . . . . . . . rr_1jdk 1
. 25 . 4988 . 1 1 12 THR CB C 2.178 6.027 1.462 . . . 1.0 . . . . . . . . . . . . A . 12 THR CB . . . . . . . . . rr_1jdk 1
. 25 . 4989 . 1 1 12 THR CG2 C 1.246 6.004 2.686 . . . 1.0 . . . . . . . . . . . . A . 12 THR CG2 . . . . . . . . . rr_1jdk 1
. 25 . 4990 . 1 1 12 THR H H 1.877 3.377 0.892 . . . 1.0 . . . . . . . . . . . . A . 12 THR H . . . . . . . . . rr_1jdk 1
. 25 . 4991 . 1 1 12 THR HA H 0.567 5.947 0.064 . . . 1.0 . . . . . . . . . . . . A . 12 THR HA . . . . . . . . . rr_1jdk 1
. 25 . 4992 . 1 1 12 THR HB H 2.426 7.089 1.278 . . . 1.0 . . . . . . . . . . . . A . 12 THR HB . . . . . . . . . rr_1jdk 1
. 25 . 4993 . 1 1 12 THR HG1 H 3.713 5.781 2.601 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG1 . . . . . . . . . rr_1jdk 1
. 25 . 4994 . 1 1 12 THR HG21 H 1.720 6.479 3.564 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG21 . . . . . . . . . rr_1jdk 1
. 25 . 4995 . 1 1 12 THR HG22 H 0.304 6.550 2.490 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG22 . . . . . . . . . rr_1jdk 1
. 25 . 4996 . 1 1 12 THR HG23 H 0.975 4.972 2.979 . . . 1.0 . . . . . . . . . . . . A . 12 THR HG23 . . . . . . . . . rr_1jdk 1
. 25 . 4997 . 1 1 12 THR N N 1.309 3.969 0.276 . . . 1.0 . . . . . . . . . . . . A . 12 THR N . . . . . . . . . rr_1jdk 1
. 25 . 4998 . 1 1 12 THR O O 3.609 5.902 -1.090 . . . 1.0 . . . . . . . . . . . . A . 12 THR O . . . . . . . . . rr_1jdk 1
. 25 . 4999 . 1 1 12 THR OG1 O 3.386 5.352 1.807 . . . 1.0 . . . . . . . . . . . . A . 12 THR OG1 . . . . . . . . . rr_1jdk 1
. 25 . 5000 . 1 1 13 THR C C 1.066 6.725 -4.526 . . . 1.0 . . . . . . . . . . . . A . 13 THR C . . . . . . . . . rr_1jdk 1
. 25 . 5001 . 1 1 13 THR CA C 2.244 6.329 -3.579 . . . 1.0 . . . . . . . . . . . . A . 13 THR CA . . . . . . . . . rr_1jdk 1
. 25 . 5002 . 1 1 13 THR CB C 3.173 5.229 -4.192 . . . 1.0 . . . . . . . . . . . . A . 13 THR CB . . . . . . . . . rr_1jdk 1
. 25 . 5003 . 1 1 13 THR CG2 C 2.489 3.931 -4.656 . . . 1.0 . . . . . . . . . . . . A . 13 THR CG2 . . . . . . . . . rr_1jdk 1
. 25 . 5004 . 1 1 13 THR H H 0.661 5.789 -2.144 . . . 1.0 . . . . . . . . . . . . A . 13 THR H . . . . . . . . . rr_1jdk 1
. 25 . 5005 . 1 1 13 THR HA H 2.878 7.224 -3.416 . . . 1.0 . . . . . . . . . . . . A . 13 THR HA . . . . . . . . . rr_1jdk 1
. 25 . 5006 . 1 1 13 THR HB H 3.930 4.946 -3.437 . . . 1.0 . . . . . . . . . . . . A . 13 THR HB . . . . . . . . . rr_1jdk 1
. 25 . 5007 . 1 1 13 THR HG1 H 4.484 6.425 -4.945 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG1 . . . . . . . . . rr_1jdk 1
. 25 . 5008 . 1 1 13 THR HG21 H 1.848 3.509 -3.863 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG21 . . . . . . . . . rr_1jdk 1
. 25 . 5009 . 1 1 13 THR HG22 H 1.846 4.100 -5.540 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG22 . . . . . . . . . rr_1jdk 1
. 25 . 5010 . 1 1 13 THR HG23 H 3.229 3.157 -4.934 . . . 1.0 . . . . . . . . . . . . A . 13 THR HG23 . . . . . . . . . rr_1jdk 1
. 25 . 5011 . 1 1 13 THR N N 1.664 5.980 -2.251 . . . 1.0 . . . . . . . . . . . . A . 13 THR N . . . . . . . . . rr_1jdk 1
. 25 . 5012 . 1 1 13 THR O O 0.010 6.079 -4.536 . . . 1.0 . . . . . . . . . . . . A . 13 THR O . . . . . . . . . rr_1jdk 1
. 25 . 5013 . 1 1 13 THR OG1 O 3.882 5.768 -5.303 . . . 1.0 . . . . . . . . . . . . A . 13 THR OG1 . . . . . . . . . rr_1jdk 1
. 25 . 5014 . 1 1 14 ALA C C 0.158 7.406 -7.589 . . . 1.0 . . . . . . . . . . . . A . 14 ALA C . . . . . . . . . rr_1jdk 1
. 25 . 5015 . 1 1 14 ALA CA C 0.218 8.252 -6.294 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CA . . . . . . . . . rr_1jdk 1
. 25 . 5016 . 1 1 14 ALA CB C 0.451 9.741 -6.593 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CB . . . . . . . . . rr_1jdk 1
. 25 . 5017 . 1 1 14 ALA H H 2.170 8.241 -5.253 . . . 1.0 . . . . . . . . . . . . A . 14 ALA H . . . . . . . . . rr_1jdk 1
. 25 . 5018 . 1 1 14 ALA HXT H 2.037 7.856 -7.806 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HXT . . . . . . . . . rr_1jdk 1
. 25 . 5019 . 1 1 14 ALA HA H -0.775 8.181 -5.808 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HA . . . . . . . . . rr_1jdk 1
. 25 . 5020 . 1 1 14 ALA HB1 H 0.420 10.353 -5.672 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB1 . . . . . . . . . rr_1jdk 1
. 25 . 5021 . 1 1 14 ALA HB2 H 1.429 9.923 -7.077 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB2 . . . . . . . . . rr_1jdk 1
. 25 . 5022 . 1 1 14 ALA HB3 H -0.327 10.147 -7.266 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB3 . . . . . . . . . rr_1jdk 1
. 25 . 5023 . 1 1 14 ALA N N 1.259 7.777 -5.344 . . . 1.0 . . . . . . . . . . . . A . 14 ALA N . . . . . . . . . rr_1jdk 1
. 25 . 5024 . 1 1 14 ALA O O -0.865 6.834 -7.965 . . . 1.0 . . . . . . . . . . . . A . 14 ALA O . . . . . . . . . rr_1jdk 1
. 25 . 5025 . 1 1 14 ALA OXT O 1.353 7.364 -8.265 . . . 1.0 . . . . . . . . . . . . A . 14 ALA OXT . . . . . . . . . rr_1jdk 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_1jdk
_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 1jdk.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1jdk 1
1 1jdk.mr . . DYANA/DIANA 2 distance NOE simple 65 rr_1jdk 1
1 1jdk.mr . . DYANA/DIANA 3 distance NOE simple 65 rr_1jdk 1
1 1jdk.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1jdk 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_1jdk
_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: '1jdk'" . . . . distance "general distance" . 42 rr_1jdk 1
2 "From CCPN project: '1jdk'" . . . . distance "general distance" . 42 rr_1jdk 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 1jdk.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1jdk 1
1 1jdk.mr . . DYANA/DIANA 2 distance NOE simple 65 rr_1jdk 1
1 1jdk.mr . . DYANA/DIANA 3 distance NOE simple 65 rr_1jdk 1
1 1jdk.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1jdk 1
stop_
save_
save_DYANA/DIANA_distance_constraints_2
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_2
_Gen_dist_constraint_list.Entry_ID rr_1jdk
_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_1jdk 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 2 2 ILE H H . . . 1 1 2 2 ILE HA H . . . . . . . 3.80 . . . . . A . 2 ILE H . . A . 2 ILE HA . . . 2 ILE HN . . . . . 2 ILE HA . . rr_1jdk 1
2 1 . . 1 1 2 2 ILE H H . . . 1 1 2 2 ILE HB H . . . . . . . 3.80 . . . . . A . 2 ILE H . . A . 2 ILE HB . . . 2 ILE HN . . . . . 2 ILE HB . . rr_1jdk 1
3 1 . . 1 1 2 2 ILE H H . . . 1 1 2 2 ILE MG H . . . . . . . 5.50 . . . . . A . 2 ILE H . . A . 2 ILE MG . . . 2 ILE HN . . . . . 2 ILE QG2 . . rr_1jdk 1
4 1 OR . 1 1 2 2 ILE H H . . . 1 1 2 2 ILE HG12 H . . . . . . . 5.50 . . . . . A . 2 ILE H . . A . 2 ILE HG12 . . . 2 ILE HN . . . . . 2 ILE QG1 . . rr_1jdk 1
4 2 OR . 1 1 2 2 ILE H H . . . 1 1 2 2 ILE HG13 H . . . . . . . 5.50 . . . . . A . 2 ILE H . . A . 2 ILE HG13 . . . 2 ILE HN . . . . . 2 ILE QG1 . . rr_1jdk 1
5 1 . . 1 1 2 2 ILE H H . . . 1 1 2 2 ILE MD H . . . . . . . 5.50 . . . . . A . 2 ILE H . . A . 2 ILE MD . . . 2 ILE HN . . . . . 2 ILE QD1 . . rr_1jdk 1
6 1 . . 1 1 2 2 ILE H H . . . 1 1 3 3 TRP H H . . . . . . . 5.50 . . . . . A . 2 ILE H . . A . 3 TRP H . . . 2 ILE HN . . . . . 3 TRP HN . . rr_1jdk 1
7 1 . . 1 1 2 2 ILE HA H . . . 1 1 3 3 TRP H H . . . . . . . 3.20 . . . . . A . 2 ILE HA . . A . 3 TRP H . . . 2 ILE HA . . . . . 3 TRP HN . . rr_1jdk 1
8 1 . . 1 1 2 2 ILE HB H . . . 1 1 3 3 TRP H H . . . . . . . 4.80 . . . . . A . 2 ILE HB . . A . 3 TRP H . . . 2 ILE HB . . . . . 3 TRP HN . . rr_1jdk 1
9 1 . . 1 1 2 2 ILE MD H . . . 1 1 3 3 TRP H H . . . . . . . 5.50 . . . . . A . 2 ILE MD . . A . 3 TRP H . . . 2 ILE QD1 . . . . . 3 TRP HN . . rr_1jdk 1
10 1 . . 1 1 3 3 TRP H H . . . 1 1 3 3 TRP HA H . . . . . . . 3.80 . . . . . A . 3 TRP H . . A . 3 TRP HA . . . 3 TRP HN . . . . . 3 TRP HA . . rr_1jdk 1
11 1 OR . 1 1 3 3 TRP H H . . . 1 1 3 3 TRP HB2 H . . . . . . . 4.14 . . . . . A . 3 TRP H . . A . 3 TRP HB2 . . . 3 TRP HN . . . . . 3 TRP QB . . rr_1jdk 1
11 2 OR . 1 1 3 3 TRP H H . . . 1 1 3 3 TRP HB3 H . . . . . . . 4.14 . . . . . A . 3 TRP H . . A . 3 TRP HB3 . . . 3 TRP HN . . . . . 3 TRP QB . . rr_1jdk 1
12 1 . . 1 1 3 3 TRP H H . . . 1 1 3 3 TRP HD1 H . . . . . . . 5.50 . . . . . A . 3 TRP H . . A . 3 TRP HD1 . . . 3 TRP HN . . . . . 3 TRP HD1 . . rr_1jdk 1
13 1 . . 1 1 3 3 TRP H H . . . 1 1 4 4 GLY H H . . . . . . . 5.50 . . . . . A . 3 TRP H . . A . 4 GLY H . . . 3 TRP HN . . . . . 4 GLY HN . . rr_1jdk 1
14 1 . . 1 1 3 3 TRP HA H . . . 1 1 4 4 GLY H H . . . . . . . 3.20 . . . . . A . 3 TRP HA . . A . 4 GLY H . . . 3 TRP HA . . . . . 4 GLY HN . . rr_1jdk 1
15 1 OR . 1 1 4 4 GLY H H . . . 1 1 3 3 TRP HB2 H . . . . . . . 4.26 . . . . . A . 3 TRP HB2 . . A . 4 GLY H . . . 3 TRP QB . . . . . 4 GLY HN . . rr_1jdk 1
15 2 OR . 1 1 3 3 TRP HB3 H . . . 1 1 4 4 GLY H H . . . . . . . 4.26 . . . . . A . 3 TRP HB3 . . A . 4 GLY H . . . 3 TRP QB . . . . . 4 GLY HN . . rr_1jdk 1
16 1 . . 1 1 3 3 TRP HD1 H . . . 1 1 4 4 GLY H H . . . . . . . 5.50 . . . . . A . 3 TRP HD1 . . A . 4 GLY H . . . 3 TRP HD1 . . . . . 4 GLY HN . . rr_1jdk 1
17 1 . . 1 1 3 3 TRP HE3 H . . . 1 1 3 3 TRP HZ2 H . . . . . . . 5.50 . . . . . A . 3 TRP HE3 . . A . 3 TRP HZ2 . . . 3 TRP HE3 . . . . . 3 TRP HZ2 . . rr_1jdk 1
18 1 . . 1 1 3 3 TRP HE3 H . . . 1 1 3 3 TRP HH2 H . . . . . . . 5.50 . . . . . A . 3 TRP HE3 . . A . 3 TRP HH2 . . . 3 TRP HE3 . . . . . 3 TRP HH2 . . rr_1jdk 1
19 1 . . 1 1 4 4 GLY H H . . . 1 1 3 3 TRP HE3 H . . . . . . . 5.50 . . . . . A . 3 TRP HE3 . . A . 4 GLY H . . . 3 TRP HE3 . . . . . 4 GLY HN . . rr_1jdk 1
20 1 OR . 1 1 4 4 GLY H H . . . 1 1 4 4 GLY HA2 H . . . . . . . 3.77 . . . . . A . 4 GLY H . . A . 4 GLY HA2 . . . 4 GLY HN . . . . . 4 GLY QA . . rr_1jdk 1
20 2 OR . 1 1 4 4 GLY H H . . . 1 1 4 4 GLY HA3 H . . . . . . . 3.77 . . . . . A . 4 GLY H . . A . 4 GLY HA3 . . . 4 GLY HN . . . . . 4 GLY QA . . rr_1jdk 1
21 1 OR . 1 1 5 5 GLU H H . . . 1 1 4 4 GLY HA2 H . . . . . . . 3.67 . . . . . A . 4 GLY HA2 . . A . 5 GLU H . . . 4 GLY QA . . . . . 5 GLS HN . . rr_1jdk 1
21 2 OR . 1 1 4 4 GLY HA3 H . . . 1 1 5 5 GLU H H . . . . . . . 3.67 . . . . . A . 4 GLY HA3 . . A . 5 GLU H . . . 4 GLY QA . . . . . 5 GLS HN . . rr_1jdk 1
22 1 . . 1 1 5 5 GLU H H . . . 1 1 5 5 GLU HA H . . . . . . . 3.80 . . . . . A . 5 GLU H . . A . 5 GLU HA . . . 5 GLS HN . . . . . 5 GLS HA . . rr_1jdk 1
23 1 OR . 1 1 5 5 GLU H H . . . 1 1 5 5 GLU HB2 H . . . . . . . 3.98 . . . . . A . 5 GLU H . . A . 5 GLU HB2 . . . 5 GLS HN . . . . . 5 GLS QB . . rr_1jdk 1
23 2 OR . 1 1 5 5 GLU H H . . . 1 1 5 5 GLU HB3 H . . . . . . . 3.98 . . . . . A . 5 GLU H . . A . 5 GLU HB3 . . . 5 GLS HN . . . . . 5 GLS QB . . rr_1jdk 1
24 1 OR . 1 1 5 5 GLU H H . . . 1 1 5 5 GLU HG2 H . . . . . . . 5.50 . . . . . A . 5 GLU H . . A . 5 GLU HG2 . . . 5 GLS HN . . . . . 5 GLS QG . . rr_1jdk 1
24 2 OR . 1 1 5 5 GLU H H . . . 1 1 5 5 GLU HG3 H . . . . . . . 5.50 . . . . . A . 5 GLU H . . A . 5 GLU HG3 . . . 5 GLS HN . . . . . 5 GLS QG . . rr_1jdk 1
25 1 . . 1 1 5 5 GLU HA H . . . 1 1 6 6 SER H H . . . . . . . 3.30 . . . . . A . 5 GLU HA . . A . 6 SER H . . . 5 GLS HA . . . . . 6 SER HN . . rr_1jdk 1
26 1 OR . 1 1 6 6 SER H H . . . 1 1 5 5 GLU HB2 H . . . . . . . 4.48 . . . . . A . 5 GLU HB2 . . A . 6 SER H . . . 5 GLS QB . . . . . 6 SER HN . . rr_1jdk 1
26 2 OR . 1 1 5 5 GLU HB3 H . . . 1 1 6 6 SER H H . . . . . . . 4.48 . . . . . A . 5 GLU HB3 . . A . 6 SER H . . . 5 GLS QB . . . . . 6 SER HN . . rr_1jdk 1
27 1 OR . 1 1 6 6 SER H H . . . 1 1 5 5 GLU HG2 H . . . . . . . 5.50 . . . . . A . 5 GLU HG2 . . A . 6 SER H . . . 5 GLS QG . . . . . 6 SER HN . . rr_1jdk 1
27 2 OR . 1 1 5 5 GLU HG3 H . . . 1 1 6 6 SER H H . . . . . . . 5.50 . . . . . A . 5 GLU HG3 . . A . 6 SER H . . . 5 GLS QG . . . . . 6 SER HN . . rr_1jdk 1
28 1 . . 1 1 6 6 SER H H . . . 1 1 6 6 SER HA H . . . . . . . 3.80 . . . . . A . 6 SER H . . A . 6 SER HA . . . 6 SER HN . . . . . 6 SER HA . . rr_1jdk 1
29 1 OR . 1 1 6 6 SER H H . . . 1 1 6 6 SER HB2 H . . . . . . . 4.80 . . . . . A . 6 SER H . . A . 6 SER HB2 . . . 6 SER HN . . . . . 6 SER QB . . rr_1jdk 1
29 2 OR . 1 1 6 6 SER H H . . . 1 1 6 6 SER HB3 H . . . . . . . 4.80 . . . . . A . 6 SER H . . A . 6 SER HB3 . . . 6 SER HN . . . . . 6 SER QB . . rr_1jdk 1
30 1 . . 1 1 6 6 SER H H . . . 1 1 7 7 GLY H H . . . . . . . 5.50 . . . . . A . 6 SER H . . A . 7 GLY H . . . 6 SER HN . . . . . 7 GLY HN . . rr_1jdk 1
31 1 . . 1 1 6 6 SER HA H . . . 1 1 7 7 GLY H H . . . . . . . 3.80 . . . . . A . 6 SER HA . . A . 7 GLY H . . . 6 SER HA . . . . . 7 GLY HN . . rr_1jdk 1
32 1 OR . 1 1 7 7 GLY H H . . . 1 1 7 7 GLY HA2 H . . . . . . . 3.30 . . . . . A . 7 GLY H . . A . 7 GLY HA2 . . . 7 GLY HN . . . . . 7 GLY QA . . rr_1jdk 1
32 2 OR . 1 1 7 7 GLY H H . . . 1 1 7 7 GLY HA3 H . . . . . . . 3.30 . . . . . A . 7 GLY H . . A . 7 GLY HA3 . . . 7 GLY HN . . . . . 7 GLY QA . . rr_1jdk 1
33 1 . . 1 1 7 7 GLY H H . . . 1 1 8 8 LYS H H . . . . . . . 3.80 . . . . . A . 7 GLY H . . A . 8 LYS H . . . 7 GLY HN . . . . . 8 LYS HN . . rr_1jdk 1
34 1 OR . 1 1 8 8 LYS H H . . . 1 1 7 7 GLY HA2 H . . . . . . . 3.80 . . . . . A . 7 GLY HA2 . . A . 8 LYS H . . . 7 GLY QA . . . . . 8 LYS HN . . rr_1jdk 1
34 2 OR . 1 1 7 7 GLY HA3 H . . . 1 1 8 8 LYS H H . . . . . . . 3.80 . . . . . A . 7 GLY HA3 . . A . 8 LYS H . . . 7 GLY QA . . . . . 8 LYS HN . . rr_1jdk 1
35 1 . . 1 1 9 9 LEU HG H . . . 1 1 10 10 ILE H H . . . . . . . 3.80 . . . . . A . 9 LEU HG . . A . 10 ILE H . . . 9 LEU HG . . . . . 10 ILE HN . . rr_1jdk 1
36 1 . . 1 1 10 10 ILE H H . . . 1 1 10 10 ILE HA H . . . . . . . 3.80 . . . . . A . 10 ILE H . . A . 10 ILE HA . . . 10 ILE HN . . . . . 10 ILE HA . . rr_1jdk 1
37 1 . . 1 1 10 10 ILE H H . . . 1 1 10 10 ILE HB H . . . . . . . 3.80 . . . . . A . 10 ILE H . . A . 10 ILE HB . . . 10 ILE HN . . . . . 10 ILE HB . . rr_1jdk 1
38 1 . . 1 1 10 10 ILE H H . . . 1 1 10 10 ILE MG H . . . . . . . 5.50 . . . . . A . 10 ILE H . . A . 10 ILE MG . . . 10 ILE HN . . . . . 10 ILE QG2 . . rr_1jdk 1
39 1 . . 1 1 10 10 ILE H H . . . 1 1 10 10 ILE MD H . . . . . . . 5.50 . . . . . A . 10 ILE H . . A . 10 ILE MD . . . 10 ILE HN . . . . . 10 ILE QD1 . . rr_1jdk 1
40 1 . . 1 1 10 10 ILE MD H . . . 1 1 12 12 THR H H . . . . . . . 5.50 . . . . . A . 10 ILE MD . . A . 12 THR H . . . 10 ILE QD1 . . . . . 12 THR HN . . rr_1jdk 1
41 1 . . 1 1 12 12 THR H H . . . 1 1 12 12 THR HA H . . . . . . . 3.80 . . . . . A . 12 THR H . . A . 12 THR HA . . . 12 THR HN . . . . . 12 THR HA . . rr_1jdk 1
42 1 . . 1 1 12 12 THR H H . . . 1 1 12 12 THR HB H . . . . . . . 3.80 . . . . . A . 12 THR H . . A . 12 THR HB . . . 12 THR HN . . . . . 12 THR HB . . rr_1jdk 1
stop_
loop_
_Gen_dist_constraint_comment_org.ID
_Gen_dist_constraint_comment_org.Comment_text
_Gen_dist_constraint_comment_org.Comment_begin_line
_Gen_dist_constraint_comment_org.Comment_begin_column
_Gen_dist_constraint_comment_org.Comment_end_line
_Gen_dist_constraint_comment_org.Comment_end_column
_Gen_dist_constraint_comment_org.Entry_ID
_Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID
1 "NMR restraints used for structure calculations of EDAB analogue" 2 1 2 65 rr_1jdk 1
2 "atom1 atom2 upper limit distance" 5 1 5 51 rr_1jdk 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) ' .11.HD' (nmrStar names) not linked" rr_1jdk 1
2 2 28 1 "Not handling restraint 28, item 1, resonance(s) ' .11.HD' (nmrStar names) not linked" rr_1jdk 1
3 2 29 1 "Not handling restraint 29, item 1, resonance(s) ' .11.HD' (nmrStar names) not linked" rr_1jdk 1
4 2 29 1 "Not handling restraint 29, item 1, resonance(s) ' .11.HD' (nmrStar names) not linked" rr_1jdk 1
5 2 30 1 "Not handling restraint 30, item 1, resonance(s) ' .11.HD' (nmrStar names) not linked" rr_1jdk 1
6 2 43 1 "Not handling restraint 43, item 1, resonance(s) ' .11.HN' (nmrStar names) not linked" rr_1jdk 1
7 2 44 1 "Not handling restraint 44, item 1, resonance(s) ' .11.HN' (nmrStar names) not linked" rr_1jdk 1
8 2 45 1 "Not handling restraint 45, item 1, resonance(s) ' .11.HN' (nmrStar names) not linked" rr_1jdk 1
9 2 46 1 "Not handling restraint 46, item 1, resonance(s) ' .11.HN' (nmrStar names) not linked" rr_1jdk 1
10 2 47 1 "Not handling restraint 47, item 1, resonance(s) ' .11.HN' (nmrStar names) not linked" rr_1jdk 1
11 2 49 1 "Not handling restraint 49, item 1, resonance(s) ' .11.HN' (nmrStar names),' .11.HA' (nmrStar names) not linked" rr_1jdk 1
12 2 50 1 "Not handling restraint 50, item 1, resonance(s) ' .11.HN' (nmrStar names),' .11.QG' (nmrStar names) not linked" rr_1jdk 1
13 2 51 1 "Not handling restraint 51, item 1, resonance(s) ' .11.HD' (nmrStar names),' .11.HN' (nmrStar names) not linked" rr_1jdk 1
14 2 52 1 "Not handling restraint 52, item 1, resonance(s) ' .11.HN' (nmrStar names) not linked" rr_1jdk 1
15 2 53 1 "Not handling restraint 53, item 1, resonance(s) ' .11.QB' (nmrStar names) not linked" rr_1jdk 1
16 2 54 1 "Not handling restraint 54, item 1, resonance(s) ' .11.QG' (nmrStar names) not linked" rr_1jdk 1
17 2 55 1 "Not handling restraint 55, item 1, resonance(s) ' .11.HD' (nmrStar names) not linked" rr_1jdk 1
18 2 58 1 "Not handling restraint 58, item 1, resonance(s) ' .11.ND' (nmrStar names) not linked" rr_1jdk 1
19 2 59 1 "Not handling restraint 59, item 1, resonance(s) ' .11.HD' (nmrStar names),' .5.OD1' (nmrStar names) not linked" rr_1jdk 1
20 2 60 1 "Not handling restraint 60, item 1, resonance(s) ' .11.ND' (nmrStar names) not linked" rr_1jdk 1
21 2 61 1 "Not handling restraint 61, item 1, resonance(s) ' .11.ND' (nmrStar names),' .5.OD1' (nmrStar names) not linked" rr_1jdk 1
22 2 62 1 "Not handling restraint 62, item 1, resonance(s) ' .11.CG' (nmrStar names) not linked" rr_1jdk 1
23 2 63 1 "Not handling restraint 63, item 1, resonance(s) ' .11.HD' (nmrStar names) not linked" rr_1jdk 1
24 2 64 1 "Not handling restraint 64, item 1, resonance(s) ' .11.HD' (nmrStar names) not linked" rr_1jdk 1
25 2 65 1 "Not handling restraint 65, item 1, resonance(s) ' .5.OD1' (nmrStar names),' .11.CG' (nmrStar names) not linked" rr_1jdk 1
stop_
save_
save_DYANA/DIANA_distance_constraints_3
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_3
_Gen_dist_constraint_list.Entry_ID rr_1jdk
_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_1jdk 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 . . 1 1 2 2 ILE H H . . . 1 1 2 2 ILE HA H . . . . . . 2.80 . . . . . . A . 2 ILE H . . A . 2 ILE HA . . . 2 ILE HN . . . . . 2 ILE HA . . rr_1jdk 2
2 1 . . 1 1 2 2 ILE H H . . . 1 1 2 2 ILE HB H . . . . . . 2.80 . . . . . . A . 2 ILE H . . A . 2 ILE HB . . . 2 ILE HN . . . . . 2 ILE HB . . rr_1jdk 2
3 1 . . 1 1 2 2 ILE H H . . . 1 1 2 2 ILE MG H . . . . . . 3.80 . . . . . . A . 2 ILE H . . A . 2 ILE MG . . . 2 ILE HN . . . . . 2 ILE QG2 . . rr_1jdk 2
4 1 OR . 1 1 2 2 ILE H H . . . 1 1 2 2 ILE HG12 H . . . . . . 4.80 . . . . . . A . 2 ILE H . . A . 2 ILE HG12 . . . 2 ILE HN . . . . . 2 ILE QG1 . . rr_1jdk 2
4 2 OR . 1 1 2 2 ILE H H . . . 1 1 2 2 ILE HG13 H . . . . . . 4.80 . . . . . . A . 2 ILE H . . A . 2 ILE HG13 . . . 2 ILE HN . . . . . 2 ILE QG1 . . rr_1jdk 2
5 1 . . 1 1 2 2 ILE H H . . . 1 1 2 2 ILE MD H . . . . . . 4.80 . . . . . . A . 2 ILE H . . A . 2 ILE MD . . . 2 ILE HN . . . . . 2 ILE QD1 . . rr_1jdk 2
6 1 . . 1 1 2 2 ILE H H . . . 1 1 3 3 TRP H H . . . . . . 3.80 . . . . . . A . 2 ILE H . . A . 3 TRP H . . . 2 ILE HN . . . . . 3 TRP HN . . rr_1jdk 2
7 1 . . 1 1 2 2 ILE HA H . . . 1 1 3 3 TRP H H . . . . . . 2.20 . . . . . . A . 2 ILE HA . . A . 3 TRP H . . . 2 ILE HA . . . . . 3 TRP HN . . rr_1jdk 2
8 1 . . 1 1 2 2 ILE HB H . . . 1 1 3 3 TRP H H . . . . . . 3.80 . . . . . . A . 2 ILE HB . . A . 3 TRP H . . . 2 ILE HB . . . . . 3 TRP HN . . rr_1jdk 2
9 1 . . 1 1 2 2 ILE MD H . . . 1 1 3 3 TRP H H . . . . . . 4.80 . . . . . . A . 2 ILE MD . . A . 3 TRP H . . . 2 ILE QD1 . . . . . 3 TRP HN . . rr_1jdk 2
10 1 . . 1 1 3 3 TRP H H . . . 1 1 3 3 TRP HA H . . . . . . 2.80 . . . . . . A . 3 TRP H . . A . 3 TRP HA . . . 3 TRP HN . . . . . 3 TRP HA . . rr_1jdk 2
11 1 OR . 1 1 3 3 TRP H H . . . 1 1 3 3 TRP HB2 H . . . . . . 3.14 . . . . . . A . 3 TRP H . . A . 3 TRP HB2 . . . 3 TRP HN . . . . . 3 TRP QB . . rr_1jdk 2
11 2 OR . 1 1 3 3 TRP H H . . . 1 1 3 3 TRP HB3 H . . . . . . 3.14 . . . . . . A . 3 TRP H . . A . 3 TRP HB3 . . . 3 TRP HN . . . . . 3 TRP QB . . rr_1jdk 2
12 1 . . 1 1 3 3 TRP H H . . . 1 1 3 3 TRP HD1 H . . . . . . 4.80 . . . . . . A . 3 TRP H . . A . 3 TRP HD1 . . . 3 TRP HN . . . . . 3 TRP HD1 . . rr_1jdk 2
13 1 . . 1 1 3 3 TRP H H . . . 1 1 4 4 GLY H H . . . . . . 3.80 . . . . . . A . 3 TRP H . . A . 4 GLY H . . . 3 TRP HN . . . . . 4 GLY HN . . rr_1jdk 2
14 1 . . 1 1 3 3 TRP HA H . . . 1 1 4 4 GLY H H . . . . . . 2.20 . . . . . . A . 3 TRP HA . . A . 4 GLY H . . . 3 TRP HA . . . . . 4 GLY HN . . rr_1jdk 2
15 1 OR . 1 1 4 4 GLY H H . . . 1 1 3 3 TRP HB2 H . . . . . . 3.16 . . . . . . A . 3 TRP HB2 . . A . 4 GLY H . . . 3 TRP QB . . . . . 4 GLY HN . . rr_1jdk 2
15 2 OR . 1 1 3 3 TRP HB3 H . . . 1 1 4 4 GLY H H . . . . . . 3.16 . . . . . . A . 3 TRP HB3 . . A . 4 GLY H . . . 3 TRP QB . . . . . 4 GLY HN . . rr_1jdk 2
16 1 . . 1 1 3 3 TRP HD1 H . . . 1 1 4 4 GLY H H . . . . . . 4.80 . . . . . . A . 3 TRP HD1 . . A . 4 GLY H . . . 3 TRP HD1 . . . . . 4 GLY HN . . rr_1jdk 2
17 1 . . 1 1 3 3 TRP HE3 H . . . 1 1 3 3 TRP HZ2 H . . . . . . 4.80 . . . . . . A . 3 TRP HE3 . . A . 3 TRP HZ2 . . . 3 TRP HE3 . . . . . 3 TRP HZ2 . . rr_1jdk 2
18 1 . . 1 1 3 3 TRP HE3 H . . . 1 1 3 3 TRP HH2 H . . . . . . 3.80 . . . . . . A . 3 TRP HE3 . . A . 3 TRP HH2 . . . 3 TRP HE3 . . . . . 3 TRP HH2 . . rr_1jdk 2
19 1 . . 1 1 4 4 GLY H H . . . 1 1 3 3 TRP HE3 H . . . . . . 4.80 . . . . . . A . 3 TRP HE3 . . A . 4 GLY H . . . 3 TRP HE3 . . . . . 4 GLY HN . . rr_1jdk 2
20 1 OR . 1 1 4 4 GLY H H . . . 1 1 4 4 GLY HA2 H . . . . . . 2.77 . . . . . . A . 4 GLY H . . A . 4 GLY HA2 . . . 4 GLY HN . . . . . 4 GLY QA . . rr_1jdk 2
20 2 OR . 1 1 4 4 GLY H H . . . 1 1 4 4 GLY HA3 H . . . . . . 2.77 . . . . . . A . 4 GLY H . . A . 4 GLY HA3 . . . 4 GLY HN . . . . . 4 GLY QA . . rr_1jdk 2
21 1 OR . 1 1 5 5 GLU H H . . . 1 1 4 4 GLY HA2 H . . . . . . 2.67 . . . . . . A . 4 GLY HA2 . . A . 5 GLU H . . . 4 GLY QA . . . . . 5 GLS HN . . rr_1jdk 2
21 2 OR . 1 1 4 4 GLY HA3 H . . . 1 1 5 5 GLU H H . . . . . . 2.67 . . . . . . A . 4 GLY HA3 . . A . 5 GLU H . . . 4 GLY QA . . . . . 5 GLS HN . . rr_1jdk 2
22 1 . . 1 1 5 5 GLU H H . . . 1 1 5 5 GLU HA H . . . . . . 2.80 . . . . . . A . 5 GLU H . . A . 5 GLU HA . . . 5 GLS HN . . . . . 5 GLS HA . . rr_1jdk 2
23 1 OR . 1 1 5 5 GLU H H . . . 1 1 5 5 GLU HB2 H . . . . . . 2.98 . . . . . . A . 5 GLU H . . A . 5 GLU HB2 . . . 5 GLS HN . . . . . 5 GLS QB . . rr_1jdk 2
23 2 OR . 1 1 5 5 GLU H H . . . 1 1 5 5 GLU HB3 H . . . . . . 2.98 . . . . . . A . 5 GLU H . . A . 5 GLU HB3 . . . 5 GLS HN . . . . . 5 GLS QB . . rr_1jdk 2
24 1 OR . 1 1 5 5 GLU H H . . . 1 1 5 5 GLU HG2 H . . . . . . 4.80 . . . . . . A . 5 GLU H . . A . 5 GLU HG2 . . . 5 GLS HN . . . . . 5 GLS QG . . rr_1jdk 2
24 2 OR . 1 1 5 5 GLU H H . . . 1 1 5 5 GLU HG3 H . . . . . . 4.80 . . . . . . A . 5 GLU H . . A . 5 GLU HG3 . . . 5 GLS HN . . . . . 5 GLS QG . . rr_1jdk 2
25 1 . . 1 1 5 5 GLU HA H . . . 1 1 6 6 SER H H . . . . . . 2.20 . . . . . . A . 5 GLU HA . . A . 6 SER H . . . 5 GLS HA . . . . . 6 SER HN . . rr_1jdk 2
26 1 OR . 1 1 6 6 SER H H . . . 1 1 5 5 GLU HB2 H . . . . . . 3.48 . . . . . . A . 5 GLU HB2 . . A . 6 SER H . . . 5 GLS QB . . . . . 6 SER HN . . rr_1jdk 2
26 2 OR . 1 1 5 5 GLU HB3 H . . . 1 1 6 6 SER H H . . . . . . 3.48 . . . . . . A . 5 GLU HB3 . . A . 6 SER H . . . 5 GLS QB . . . . . 6 SER HN . . rr_1jdk 2
27 1 OR . 1 1 6 6 SER H H . . . 1 1 5 5 GLU HG2 H . . . . . . 4.50 . . . . . . A . 5 GLU HG2 . . A . 6 SER H . . . 5 GLS QG . . . . . 6 SER HN . . rr_1jdk 2
27 2 OR . 1 1 5 5 GLU HG3 H . . . 1 1 6 6 SER H H . . . . . . 4.50 . . . . . . A . 5 GLU HG3 . . A . 6 SER H . . . 5 GLS QG . . . . . 6 SER HN . . rr_1jdk 2
28 1 . . 1 1 6 6 SER H H . . . 1 1 6 6 SER HA H . . . . . . 2.80 . . . . . . A . 6 SER H . . A . 6 SER HA . . . 6 SER HN . . . . . 6 SER HA . . rr_1jdk 2
29 1 OR . 1 1 6 6 SER H H . . . 1 1 6 6 SER HB2 H . . . . . . 3.80 . . . . . . A . 6 SER H . . A . 6 SER HB2 . . . 6 SER HN . . . . . 6 SER QB . . rr_1jdk 2
29 2 OR . 1 1 6 6 SER H H . . . 1 1 6 6 SER HB3 H . . . . . . 3.80 . . . . . . A . 6 SER H . . A . 6 SER HB3 . . . 6 SER HN . . . . . 6 SER QB . . rr_1jdk 2
30 1 . . 1 1 6 6 SER H H . . . 1 1 7 7 GLY H H . . . . . . 3.80 . . . . . . A . 6 SER H . . A . 7 GLY H . . . 6 SER HN . . . . . 7 GLY HN . . rr_1jdk 2
31 1 . . 1 1 6 6 SER HA H . . . 1 1 7 7 GLY H H . . . . . . 2.80 . . . . . . A . 6 SER HA . . A . 7 GLY H . . . 6 SER HA . . . . . 7 GLY HN . . rr_1jdk 2
32 1 OR . 1 1 7 7 GLY H H . . . 1 1 7 7 GLY HA2 H . . . . . . 2.30 . . . . . . A . 7 GLY H . . A . 7 GLY HA2 . . . 7 GLY HN . . . . . 7 GLY QA . . rr_1jdk 2
32 2 OR . 1 1 7 7 GLY H H . . . 1 1 7 7 GLY HA3 H . . . . . . 2.30 . . . . . . A . 7 GLY H . . A . 7 GLY HA3 . . . 7 GLY HN . . . . . 7 GLY QA . . rr_1jdk 2
33 1 . . 1 1 7 7 GLY H H . . . 1 1 8 8 LYS H H . . . . . . 2.80 . . . . . . A . 7 GLY H . . A . 8 LYS H . . . 7 GLY HN . . . . . 8 LYS HN . . rr_1jdk 2
34 1 OR . 1 1 8 8 LYS H H . . . 1 1 7 7 GLY HA2 H . . . . . . 2.80 . . . . . . A . 7 GLY HA2 . . A . 8 LYS H . . . 7 GLY QA . . . . . 8 LYS HN . . rr_1jdk 2
34 2 OR . 1 1 7 7 GLY HA3 H . . . 1 1 8 8 LYS H H . . . . . . 2.80 . . . . . . A . 7 GLY HA3 . . A . 8 LYS H . . . 7 GLY QA . . . . . 8 LYS HN . . rr_1jdk 2
35 1 . . 1 1 9 9 LEU HG H . . . 1 1 10 10 ILE H H . . . . . . 2.80 . . . . . . A . 9 LEU HG . . A . 10 ILE H . . . 9 LEU HG . . . . . 10 ILE HN . . rr_1jdk 2
36 1 . . 1 1 10 10 ILE H H . . . 1 1 10 10 ILE HA H . . . . . . 2.80 . . . . . . A . 10 ILE H . . A . 10 ILE HA . . . 10 ILE HN . . . . . 10 ILE HA . . rr_1jdk 2
37 1 . . 1 1 10 10 ILE H H . . . 1 1 10 10 ILE HB H . . . . . . 2.80 . . . . . . A . 10 ILE H . . A . 10 ILE HB . . . 10 ILE HN . . . . . 10 ILE HB . . rr_1jdk 2
38 1 . . 1 1 10 10 ILE H H . . . 1 1 10 10 ILE MG H . . . . . . 3.80 . . . . . . A . 10 ILE H . . A . 10 ILE MG . . . 10 ILE HN . . . . . 10 ILE QG2 . . rr_1jdk 2
39 1 . . 1 1 10 10 ILE H H . . . 1 1 10 10 ILE MD H . . . . . . 3.80 . . . . . . A . 10 ILE H . . A . 10 ILE MD . . . 10 ILE HN . . . . . 10 ILE QD1 . . rr_1jdk 2
40 1 . . 1 1 10 10 ILE MD H . . . 1 1 12 12 THR H H . . . . . . 4.80 . . . . . . A . 10 ILE MD . . A . 12 THR H . . . 10 ILE QD1 . . . . . 12 THR HN . . rr_1jdk 2
41 1 . . 1 1 12 12 THR H H . . . 1 1 12 12 THR HA H . . . . . . 2.80 . . . . . . A . 12 THR H . . A . 12 THR HA . . . 12 THR HN . . . . . 12 THR HA . . rr_1jdk 2
42 1 . . 1 1 12 12 THR H H . . . 1 1 12 12 THR HB H . . . . . . 2.80 . . . . . . A . 12 THR H . . A . 12 THR HB . . . 12 THR HN . . . . . 12 THR HB . . rr_1jdk 2
stop_
loop_
_Gen_dist_constraint_comment_org.ID
_Gen_dist_constraint_comment_org.Comment_text
_Gen_dist_constraint_comment_org.Comment_begin_line
_Gen_dist_constraint_comment_org.Comment_begin_column
_Gen_dist_constraint_comment_org.Comment_end_line
_Gen_dist_constraint_comment_org.Comment_end_column
_Gen_dist_constraint_comment_org.Entry_ID
_Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID
1 "atom1 atom2 lower limit distance" 4 1 4 52 rr_1jdk 2
stop_
loop_
_Gen_dist_constraint_conv_err.ID
_Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID
_Gen_dist_constraint_conv_err.Parse_file_constraint_ID
_Gen_dist_constraint_conv_err.Conv_error_type
_Gen_dist_constraint_conv_err.Conv_error_note
_Gen_dist_constraint_conv_err.Entry_ID
_Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID
1 3 28 1 "Not handling restraint 28, item 1, resonance(s) ' .11.HD' (nmrStar names) not linked" rr_1jdk 2
2 3 28 1 "Not handling restraint 28, item 1, resonance(s) ' .11.HD' (nmrStar names) not linked" rr_1jdk 2
3 3 29 1 "Not handling restraint 29, item 1, resonance(s) ' .11.HD' (nmrStar names) not linked" rr_1jdk 2
4 3 29 1 "Not handling restraint 29, item 1, resonance(s) ' .11.HD' (nmrStar names) not linked" rr_1jdk 2
5 3 30 1 "Not handling restraint 30, item 1, resonance(s) ' .11.HD' (nmrStar names) not linked" rr_1jdk 2
6 3 43 1 "Not handling restraint 43, item 1, resonance(s) ' .11.HN' (nmrStar names) not linked" rr_1jdk 2
7 3 44 1 "Not handling restraint 44, item 1, resonance(s) ' .11.HN' (nmrStar names) not linked" rr_1jdk 2
8 3 45 1 "Not handling restraint 45, item 1, resonance(s) ' .11.HN' (nmrStar names) not linked" rr_1jdk 2
9 3 46 1 "Not handling restraint 46, item 1, resonance(s) ' .11.HN' (nmrStar names) not linked" rr_1jdk 2
10 3 47 1 "Not handling restraint 47, item 1, resonance(s) ' .11.HN' (nmrStar names) not linked" rr_1jdk 2
11 3 49 1 "Not handling restraint 49, item 1, resonance(s) ' .11.HN' (nmrStar names),' .11.HA' (nmrStar names) not linked" rr_1jdk 2
12 3 50 1 "Not handling restraint 50, item 1, resonance(s) ' .11.HN' (nmrStar names),' .11.QG' (nmrStar names) not linked" rr_1jdk 2
13 3 51 1 "Not handling restraint 51, item 1, resonance(s) ' .11.HD' (nmrStar names),' .11.HN' (nmrStar names) not linked" rr_1jdk 2
14 3 52 1 "Not handling restraint 52, item 1, resonance(s) ' .11.HN' (nmrStar names) not linked" rr_1jdk 2
15 3 53 1 "Not handling restraint 53, item 1, resonance(s) ' .11.QB' (nmrStar names) not linked" rr_1jdk 2
16 3 54 1 "Not handling restraint 54, item 1, resonance(s) ' .11.QG' (nmrStar names) not linked" rr_1jdk 2
17 3 55 1 "Not handling restraint 55, item 1, resonance(s) ' .11.HD' (nmrStar names) not linked" rr_1jdk 2
18 3 58 1 "Not handling restraint 58, item 1, resonance(s) ' .11.ND' (nmrStar names) not linked" rr_1jdk 2
19 3 59 1 "Not handling restraint 59, item 1, resonance(s) ' .11.HD' (nmrStar names),' .5.OD1' (nmrStar names) not linked" rr_1jdk 2
20 3 60 1 "Not handling restraint 60, item 1, resonance(s) ' .11.ND' (nmrStar names) not linked" rr_1jdk 2
21 3 61 1 "Not handling restraint 61, item 1, resonance(s) ' .11.ND' (nmrStar names),' .5.OD1' (nmrStar names) not linked" rr_1jdk 2
22 3 62 1 "Not handling restraint 62, item 1, resonance(s) ' .11.CG' (nmrStar names) not linked" rr_1jdk 2
23 3 63 1 "Not handling restraint 63, item 1, resonance(s) ' .11.HD' (nmrStar names) not linked" rr_1jdk 2
24 3 64 1 "Not handling restraint 64, item 1, resonance(s) ' .11.HD' (nmrStar names) not linked" rr_1jdk 2
25 3 65 1 "Not handling restraint 65, item 1, resonance(s) ' .5.OD1' (nmrStar names),' .11.CG' (nmrStar names) not linked" rr_1jdk 2
stop_
save_
save_DYANA/DIANA_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_2_1
_Distance_constraint_list.Entry_ID rr_1jdk
_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_1jdk 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_1jdk 1
2 1 . . . rr_1jdk 1
3 1 . . . rr_1jdk 1
4 1 2 . OR rr_1jdk 1
4 2 . 3 . rr_1jdk 1
4 3 . . . rr_1jdk 1
5 1 . . . rr_1jdk 1
6 1 . . . rr_1jdk 1
7 1 . . . rr_1jdk 1
8 1 . . . rr_1jdk 1
9 1 . . . rr_1jdk 1
10 1 . . . rr_1jdk 1
11 1 2 . OR rr_1jdk 1
11 2 . 3 . rr_1jdk 1
11 3 . . . rr_1jdk 1
12 1 . . . rr_1jdk 1
13 1 . . . rr_1jdk 1
14 1 . . . rr_1jdk 1
15 1 2 . OR rr_1jdk 1
15 2 . 3 . rr_1jdk 1
15 3 . . . rr_1jdk 1
16 1 . . . rr_1jdk 1
17 1 . . . rr_1jdk 1
18 1 . . . rr_1jdk 1
19 1 . . . rr_1jdk 1
20 1 2 . OR rr_1jdk 1
20 2 . 3 . rr_1jdk 1
20 3 . . . rr_1jdk 1
21 1 2 . OR rr_1jdk 1
21 2 . 3 . rr_1jdk 1
21 3 . . . rr_1jdk 1
22 1 . . . rr_1jdk 1
23 1 2 . OR rr_1jdk 1
23 2 . 3 . rr_1jdk 1
23 3 . . . rr_1jdk 1
24 1 2 . OR rr_1jdk 1
24 2 . 3 . rr_1jdk 1
24 3 . . . rr_1jdk 1
25 1 . . . rr_1jdk 1
26 1 2 . OR rr_1jdk 1
26 2 . 3 . rr_1jdk 1
26 3 . . . rr_1jdk 1
27 1 2 . OR rr_1jdk 1
27 2 . 3 . rr_1jdk 1
27 3 . . . rr_1jdk 1
28 1 . . . rr_1jdk 1
29 1 2 . OR rr_1jdk 1
29 2 . 3 . rr_1jdk 1
29 3 . . . rr_1jdk 1
30 1 . . . rr_1jdk 1
31 1 . . . rr_1jdk 1
32 1 2 . OR rr_1jdk 1
32 2 . 3 . rr_1jdk 1
32 3 . . . rr_1jdk 1
33 1 . . . rr_1jdk 1
34 1 2 . OR rr_1jdk 1
34 2 . 3 . rr_1jdk 1
34 3 . . . rr_1jdk 1
35 1 . . . rr_1jdk 1
36 1 . . . rr_1jdk 1
37 1 . . . rr_1jdk 1
38 1 . . . rr_1jdk 1
39 1 . . . rr_1jdk 1
40 1 . . . rr_1jdk 1
41 1 . . . rr_1jdk 1
42 1 . . . rr_1jdk 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 2 2 ILE H H . . . . 2 ILE HN rr_1jdk 1
1 1 . 2 . 1 1 2 2 ILE HA H . . . . 2 ILE HA rr_1jdk 1
2 1 . 1 . 1 1 2 2 ILE H H . . . . 2 ILE HN rr_1jdk 1
2 1 . 2 . 1 1 2 2 ILE HB H . . . . 2 ILE HB rr_1jdk 1
3 1 . 1 . 1 1 2 2 ILE H H . . . . 2 ILE HN rr_1jdk 1
3 1 . 2 . 1 1 2 2 ILE MG H . . . . 2 ILE QG2 rr_1jdk 1
4 2 . 1 . 1 1 2 2 ILE H H . . . . 2 ILE HN rr_1jdk 1
4 2 . 2 . 1 1 2 2 ILE HG12 H . . . . 2 ILE QG1 rr_1jdk 1
4 3 . 1 . 1 1 2 2 ILE H H . . . . 2 ILE HN rr_1jdk 1
4 3 . 2 . 1 1 2 2 ILE HG13 H . . . . 2 ILE QG1 rr_1jdk 1
5 1 . 1 . 1 1 2 2 ILE H H . . . . 2 ILE HN rr_1jdk 1
5 1 . 2 . 1 1 2 2 ILE MD H . . . . 2 ILE QD1 rr_1jdk 1
6 1 . 1 . 1 1 2 2 ILE H H . . . . 2 ILE HN rr_1jdk 1
6 1 . 2 . 1 1 3 3 TRP H H . . . . 3 TRP HN rr_1jdk 1
7 1 . 1 . 1 1 2 2 ILE HA H . . . . 2 ILE HA rr_1jdk 1
7 1 . 2 . 1 1 3 3 TRP H H . . . . 3 TRP HN rr_1jdk 1
8 1 . 1 . 1 1 2 2 ILE HB H . . . . 2 ILE HB rr_1jdk 1
8 1 . 2 . 1 1 3 3 TRP H H . . . . 3 TRP HN rr_1jdk 1
9 1 . 1 . 1 1 2 2 ILE MD H . . . . 2 ILE QD1 rr_1jdk 1
9 1 . 2 . 1 1 3 3 TRP H H . . . . 3 TRP HN rr_1jdk 1
10 1 . 1 . 1 1 3 3 TRP H H . . . . 3 TRP HN rr_1jdk 1
10 1 . 2 . 1 1 3 3 TRP HA H . . . . 3 TRP HA rr_1jdk 1
11 2 . 1 . 1 1 3 3 TRP H H . . . . 3 TRP HN rr_1jdk 1
11 2 . 2 . 1 1 3 3 TRP HB2 H . . . . 3 TRP QB rr_1jdk 1
11 3 . 1 . 1 1 3 3 TRP H H . . . . 3 TRP HN rr_1jdk 1
11 3 . 2 . 1 1 3 3 TRP HB3 H . . . . 3 TRP QB rr_1jdk 1
12 1 . 1 . 1 1 3 3 TRP H H . . . . 3 TRP HN rr_1jdk 1
12 1 . 2 . 1 1 3 3 TRP HD1 H . . . . 3 TRP HD1 rr_1jdk 1
13 1 . 1 . 1 1 3 3 TRP H H . . . . 3 TRP HN rr_1jdk 1
13 1 . 2 . 1 1 4 4 GLY H H . . . . 4 GLY HN rr_1jdk 1
14 1 . 1 . 1 1 3 3 TRP HA H . . . . 3 TRP HA rr_1jdk 1
14 1 . 2 . 1 1 4 4 GLY H H . . . . 4 GLY HN rr_1jdk 1
15 2 . 1 . 1 1 3 3 TRP HB2 H . . . . 3 TRP QB rr_1jdk 1
15 2 . 2 . 1 1 4 4 GLY H H . . . . 4 GLY HN rr_1jdk 1
15 3 . 1 . 1 1 3 3 TRP HB3 H . . . . 3 TRP QB rr_1jdk 1
15 3 . 2 . 1 1 4 4 GLY H H . . . . 4 GLY HN rr_1jdk 1
16 1 . 1 . 1 1 3 3 TRP HD1 H . . . . 3 TRP HD1 rr_1jdk 1
16 1 . 2 . 1 1 4 4 GLY H H . . . . 4 GLY HN rr_1jdk 1
17 1 . 1 . 1 1 3 3 TRP HE3 H . . . . 3 TRP HE3 rr_1jdk 1
17 1 . 2 . 1 1 3 3 TRP HZ2 H . . . . 3 TRP HZ2 rr_1jdk 1
18 1 . 1 . 1 1 3 3 TRP HE3 H . . . . 3 TRP HE3 rr_1jdk 1
18 1 . 2 . 1 1 3 3 TRP HH2 H . . . . 3 TRP HH2 rr_1jdk 1
19 1 . 1 . 1 1 3 3 TRP HE3 H . . . . 3 TRP HE3 rr_1jdk 1
19 1 . 2 . 1 1 4 4 GLY H H . . . . 4 GLY HN rr_1jdk 1
20 2 . 1 . 1 1 4 4 GLY H H . . . . 4 GLY HN rr_1jdk 1
20 2 . 2 . 1 1 4 4 GLY HA2 H . . . . 4 GLY QA rr_1jdk 1
20 3 . 1 . 1 1 4 4 GLY H H . . . . 4 GLY HN rr_1jdk 1
20 3 . 2 . 1 1 4 4 GLY HA3 H . . . . 4 GLY QA rr_1jdk 1
21 2 . 1 . 1 1 4 4 GLY HA2 H . . . . 4 GLY QA rr_1jdk 1
21 2 . 2 . 1 1 5 5 GLU H H . . . . 5 GLS HN rr_1jdk 1
21 3 . 1 . 1 1 4 4 GLY HA3 H . . . . 4 GLY QA rr_1jdk 1
21 3 . 2 . 1 1 5 5 GLU H H . . . . 5 GLS HN rr_1jdk 1
22 1 . 1 . 1 1 5 5 GLU H H . . . . 5 GLS HN rr_1jdk 1
22 1 . 2 . 1 1 5 5 GLU HA H . . . . 5 GLS HA rr_1jdk 1
23 2 . 1 . 1 1 5 5 GLU H H . . . . 5 GLS HN rr_1jdk 1
23 2 . 2 . 1 1 5 5 GLU HB2 H . . . . 5 GLS QB rr_1jdk 1
23 3 . 1 . 1 1 5 5 GLU H H . . . . 5 GLS HN rr_1jdk 1
23 3 . 2 . 1 1 5 5 GLU HB3 H . . . . 5 GLS QB rr_1jdk 1
24 2 . 1 . 1 1 5 5 GLU H H . . . . 5 GLS HN rr_1jdk 1
24 2 . 2 . 1 1 5 5 GLU HG2 H . . . . 5 GLS QG rr_1jdk 1
24 3 . 1 . 1 1 5 5 GLU H H . . . . 5 GLS HN rr_1jdk 1
24 3 . 2 . 1 1 5 5 GLU HG3 H . . . . 5 GLS QG rr_1jdk 1
25 1 . 1 . 1 1 5 5 GLU HA H . . . . 5 GLS HA rr_1jdk 1
25 1 . 2 . 1 1 6 6 SER H H . . . . 6 SER HN rr_1jdk 1
26 2 . 1 . 1 1 5 5 GLU HB2 H . . . . 5 GLS QB rr_1jdk 1
26 2 . 2 . 1 1 6 6 SER H H . . . . 6 SER HN rr_1jdk 1
26 3 . 1 . 1 1 5 5 GLU HB3 H . . . . 5 GLS QB rr_1jdk 1
26 3 . 2 . 1 1 6 6 SER H H . . . . 6 SER HN rr_1jdk 1
27 2 . 1 . 1 1 5 5 GLU HG2 H . . . . 5 GLS QG rr_1jdk 1
27 2 . 2 . 1 1 6 6 SER H H . . . . 6 SER HN rr_1jdk 1
27 3 . 1 . 1 1 5 5 GLU HG3 H . . . . 5 GLS QG rr_1jdk 1
27 3 . 2 . 1 1 6 6 SER H H . . . . 6 SER HN rr_1jdk 1
28 1 . 1 . 1 1 6 6 SER H H . . . . 6 SER HN rr_1jdk 1
28 1 . 2 . 1 1 6 6 SER HA H . . . . 6 SER HA rr_1jdk 1
29 2 . 1 . 1 1 6 6 SER H H . . . . 6 SER HN rr_1jdk 1
29 2 . 2 . 1 1 6 6 SER HB2 H . . . . 6 SER QB rr_1jdk 1
29 3 . 1 . 1 1 6 6 SER H H . . . . 6 SER HN rr_1jdk 1
29 3 . 2 . 1 1 6 6 SER HB3 H . . . . 6 SER QB rr_1jdk 1
30 1 . 1 . 1 1 6 6 SER H H . . . . 6 SER HN rr_1jdk 1
30 1 . 2 . 1 1 7 7 GLY H H . . . . 7 GLY HN rr_1jdk 1
31 1 . 1 . 1 1 6 6 SER HA H . . . . 6 SER HA rr_1jdk 1
31 1 . 2 . 1 1 7 7 GLY H H . . . . 7 GLY HN rr_1jdk 1
32 2 . 1 . 1 1 7 7 GLY H H . . . . 7 GLY HN rr_1jdk 1
32 2 . 2 . 1 1 7 7 GLY HA2 H . . . . 7 GLY QA rr_1jdk 1
32 3 . 1 . 1 1 7 7 GLY H H . . . . 7 GLY HN rr_1jdk 1
32 3 . 2 . 1 1 7 7 GLY HA3 H . . . . 7 GLY QA rr_1jdk 1
33 1 . 1 . 1 1 7 7 GLY H H . . . . 7 GLY HN rr_1jdk 1
33 1 . 2 . 1 1 8 8 LYS H H . . . . 8 LYS HN rr_1jdk 1
34 2 . 1 . 1 1 7 7 GLY HA2 H . . . . 7 GLY QA rr_1jdk 1
34 2 . 2 . 1 1 8 8 LYS H H . . . . 8 LYS HN rr_1jdk 1
34 3 . 1 . 1 1 7 7 GLY HA3 H . . . . 7 GLY QA rr_1jdk 1
34 3 . 2 . 1 1 8 8 LYS H H . . . . 8 LYS HN rr_1jdk 1
35 1 . 1 . 1 1 9 9 LEU HG H . . . . 9 LEU HG rr_1jdk 1
35 1 . 2 . 1 1 10 10 ILE H H . . . . 10 ILE HN rr_1jdk 1
36 1 . 1 . 1 1 10 10 ILE H H . . . . 10 ILE HN rr_1jdk 1
36 1 . 2 . 1 1 10 10 ILE HA H . . . . 10 ILE HA rr_1jdk 1
37 1 . 1 . 1 1 10 10 ILE H H . . . . 10 ILE HN rr_1jdk 1
37 1 . 2 . 1 1 10 10 ILE HB H . . . . 10 ILE HB rr_1jdk 1
38 1 . 1 . 1 1 10 10 ILE H H . . . . 10 ILE HN rr_1jdk 1
38 1 . 2 . 1 1 10 10 ILE MG H . . . . 10 ILE QG2 rr_1jdk 1
39 1 . 1 . 1 1 10 10 ILE H H . . . . 10 ILE HN rr_1jdk 1
39 1 . 2 . 1 1 10 10 ILE MD H . . . . 10 ILE QD1 rr_1jdk 1
40 1 . 1 . 1 1 10 10 ILE MD H . . . . 10 ILE QD1 rr_1jdk 1
40 1 . 2 . 1 1 12 12 THR H H . . . . 12 THR HN rr_1jdk 1
41 1 . 1 . 1 1 12 12 THR H H . . . . 12 THR HN rr_1jdk 1
41 1 . 2 . 1 1 12 12 THR HA H . . . . 12 THR HA rr_1jdk 1
42 1 . 1 . 1 1 12 12 THR H H . . . . 12 THR HN rr_1jdk 1
42 1 . 2 . 1 1 12 12 THR HB H . . . . 12 THR HB rr_1jdk 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . . . 3.80 rr_1jdk 1
2 1 . . . . . . . . 3.80 rr_1jdk 1
3 1 . . . . . . . . 5.50 rr_1jdk 1
4 2 . . . . . . . . 5.50 rr_1jdk 1
4 3 . . . . . . . . 5.50 rr_1jdk 1
5 1 . . . . . . . . 5.50 rr_1jdk 1
6 1 . . . . . . . . 5.50 rr_1jdk 1
7 1 . . . . . . . . 3.20 rr_1jdk 1
8 1 . . . . . . . . 4.80 rr_1jdk 1
9 1 . . . . . . . . 5.50 rr_1jdk 1
10 1 . . . . . . . . 3.80 rr_1jdk 1
11 2 . . . . . . . . 4.14 rr_1jdk 1
11 3 . . . . . . . . 4.14 rr_1jdk 1
12 1 . . . . . . . . 5.50 rr_1jdk 1
13 1 . . . . . . . . 5.50 rr_1jdk 1
14 1 . . . . . . . . 3.20 rr_1jdk 1
15 2 . . . . . . . . 4.26 rr_1jdk 1
15 3 . . . . . . . . 4.26 rr_1jdk 1
16 1 . . . . . . . . 5.50 rr_1jdk 1
17 1 . . . . . . . . 5.50 rr_1jdk 1
18 1 . . . . . . . . 5.50 rr_1jdk 1
19 1 . . . . . . . . 5.50 rr_1jdk 1
20 2 . . . . . . . . 3.77 rr_1jdk 1
20 3 . . . . . . . . 3.77 rr_1jdk 1
21 2 . . . . . . . . 3.67 rr_1jdk 1
21 3 . . . . . . . . 3.67 rr_1jdk 1
22 1 . . . . . . . . 3.80 rr_1jdk 1
23 2 . . . . . . . . 3.98 rr_1jdk 1
23 3 . . . . . . . . 3.98 rr_1jdk 1
24 2 . . . . . . . . 5.50 rr_1jdk 1
24 3 . . . . . . . . 5.50 rr_1jdk 1
25 1 . . . . . . . . 3.30 rr_1jdk 1
26 2 . . . . . . . . 4.48 rr_1jdk 1
26 3 . . . . . . . . 4.48 rr_1jdk 1
27 2 . . . . . . . . 5.50 rr_1jdk 1
27 3 . . . . . . . . 5.50 rr_1jdk 1
28 1 . . . . . . . . 3.80 rr_1jdk 1
29 2 . . . . . . . . 4.80 rr_1jdk 1
29 3 . . . . . . . . 4.80 rr_1jdk 1
30 1 . . . . . . . . 5.50 rr_1jdk 1
31 1 . . . . . . . . 3.80 rr_1jdk 1
32 2 . . . . . . . . 3.30 rr_1jdk 1
32 3 . . . . . . . . 3.30 rr_1jdk 1
33 1 . . . . . . . . 3.80 rr_1jdk 1
34 2 . . . . . . . . 3.80 rr_1jdk 1
34 3 . . . . . . . . 3.80 rr_1jdk 1
35 1 . . . . . . . . 3.80 rr_1jdk 1
36 1 . . . . . . . . 3.80 rr_1jdk 1
37 1 . . . . . . . . 3.80 rr_1jdk 1
38 1 . . . . . . . . 5.50 rr_1jdk 1
39 1 . . . . . . . . 5.50 rr_1jdk 1
40 1 . . . . . . . . 5.50 rr_1jdk 1
41 1 . . . . . . . . 3.80 rr_1jdk 1
42 1 . . . . . . . . 3.80 rr_1jdk 1
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 "NMR restraints used for structure calculations of EDAB analogue" 2 1 2 65 rr_1jdk 1
2 "atom1 atom2 upper limit distance" 5 1 5 51 rr_1jdk 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) ' .11.HD' (nmrStar names) not linked" rr_1jdk 1
2 2 28 1 "Not handling restraint 28, item 1, resonance(s) ' .11.HD' (nmrStar names) not linked" rr_1jdk 1
3 2 29 1 "Not handling restraint 29, item 1, resonance(s) ' .11.HD' (nmrStar names) not linked" rr_1jdk 1
4 2 29 1 "Not handling restraint 29, item 1, resonance(s) ' .11.HD' (nmrStar names) not linked" rr_1jdk 1
5 2 30 1 "Not handling restraint 30, item 1, resonance(s) ' .11.HD' (nmrStar names) not linked" rr_1jdk 1
6 2 43 1 "Not handling restraint 43, item 1, resonance(s) ' .11.HN' (nmrStar names) not linked" rr_1jdk 1
7 2 44 1 "Not handling restraint 44, item 1, resonance(s) ' .11.HN' (nmrStar names) not linked" rr_1jdk 1
8 2 45 1 "Not handling restraint 45, item 1, resonance(s) ' .11.HN' (nmrStar names) not linked" rr_1jdk 1
9 2 46 1 "Not handling restraint 46, item 1, resonance(s) ' .11.HN' (nmrStar names) not linked" rr_1jdk 1
10 2 47 1 "Not handling restraint 47, item 1, resonance(s) ' .11.HN' (nmrStar names) not linked" rr_1jdk 1
11 2 49 1 "Not handling restraint 49, item 1, resonance(s) ' .11.HN' (nmrStar names),' .11.HA' (nmrStar names) not linked" rr_1jdk 1
12 2 50 1 "Not handling restraint 50, item 1, resonance(s) ' .11.HN' (nmrStar names),' .11.QG' (nmrStar names) not linked" rr_1jdk 1
13 2 51 1 "Not handling restraint 51, item 1, resonance(s) ' .11.HD' (nmrStar names),' .11.HN' (nmrStar names) not linked" rr_1jdk 1
14 2 52 1 "Not handling restraint 52, item 1, resonance(s) ' .11.HN' (nmrStar names) not linked" rr_1jdk 1
15 2 53 1 "Not handling restraint 53, item 1, resonance(s) ' .11.QB' (nmrStar names) not linked" rr_1jdk 1
16 2 54 1 "Not handling restraint 54, item 1, resonance(s) ' .11.QG' (nmrStar names) not linked" rr_1jdk 1
17 2 55 1 "Not handling restraint 55, item 1, resonance(s) ' .11.HD' (nmrStar names) not linked" rr_1jdk 1
18 2 58 1 "Not handling restraint 58, item 1, resonance(s) ' .11.ND' (nmrStar names) not linked" rr_1jdk 1
19 2 59 1 "Not handling restraint 59, item 1, resonance(s) ' .11.HD' (nmrStar names),' .5.OD1' (nmrStar names) not linked" rr_1jdk 1
20 2 60 1 "Not handling restraint 60, item 1, resonance(s) ' .11.ND' (nmrStar names) not linked" rr_1jdk 1
21 2 61 1 "Not handling restraint 61, item 1, resonance(s) ' .11.ND' (nmrStar names),' .5.OD1' (nmrStar names) not linked" rr_1jdk 1
22 2 62 1 "Not handling restraint 62, item 1, resonance(s) ' .11.CG' (nmrStar names) not linked" rr_1jdk 1
23 2 63 1 "Not handling restraint 63, item 1, resonance(s) ' .11.HD' (nmrStar names) not linked" rr_1jdk 1
24 2 64 1 "Not handling restraint 64, item 1, resonance(s) ' .11.HD' (nmrStar names) not linked" rr_1jdk 1
25 2 65 1 "Not handling restraint 65, item 1, resonance(s) ' .5.OD1' (nmrStar names),' .11.CG' (nmrStar names) not linked" rr_1jdk 1
stop_
save_
save_DYANA/DIANA_distance_constraints_3_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_3_1
_Distance_constraint_list.Entry_ID rr_1jdk
_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_1jdk 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 . . . rr_1jdk 2
2 1 . . . rr_1jdk 2
3 1 . . . rr_1jdk 2
4 1 2 . OR rr_1jdk 2
4 2 . 3 . rr_1jdk 2
4 3 . . . rr_1jdk 2
5 1 . . . rr_1jdk 2
6 1 . . . rr_1jdk 2
7 1 . . . rr_1jdk 2
8 1 . . . rr_1jdk 2
9 1 . . . rr_1jdk 2
10 1 . . . rr_1jdk 2
11 1 2 . OR rr_1jdk 2
11 2 . 3 . rr_1jdk 2
11 3 . . . rr_1jdk 2
12 1 . . . rr_1jdk 2
13 1 . . . rr_1jdk 2
14 1 . . . rr_1jdk 2
15 1 2 . OR rr_1jdk 2
15 2 . 3 . rr_1jdk 2
15 3 . . . rr_1jdk 2
16 1 . . . rr_1jdk 2
17 1 . . . rr_1jdk 2
18 1 . . . rr_1jdk 2
19 1 . . . rr_1jdk 2
20 1 2 . OR rr_1jdk 2
20 2 . 3 . rr_1jdk 2
20 3 . . . rr_1jdk 2
21 1 2 . OR rr_1jdk 2
21 2 . 3 . rr_1jdk 2
21 3 . . . rr_1jdk 2
22 1 . . . rr_1jdk 2
23 1 2 . OR rr_1jdk 2
23 2 . 3 . rr_1jdk 2
23 3 . . . rr_1jdk 2
24 1 2 . OR rr_1jdk 2
24 2 . 3 . rr_1jdk 2
24 3 . . . rr_1jdk 2
25 1 . . . rr_1jdk 2
26 1 2 . OR rr_1jdk 2
26 2 . 3 . rr_1jdk 2
26 3 . . . rr_1jdk 2
27 1 2 . OR rr_1jdk 2
27 2 . 3 . rr_1jdk 2
27 3 . . . rr_1jdk 2
28 1 . . . rr_1jdk 2
29 1 2 . OR rr_1jdk 2
29 2 . 3 . rr_1jdk 2
29 3 . . . rr_1jdk 2
30 1 . . . rr_1jdk 2
31 1 . . . rr_1jdk 2
32 1 2 . OR rr_1jdk 2
32 2 . 3 . rr_1jdk 2
32 3 . . . rr_1jdk 2
33 1 . . . rr_1jdk 2
34 1 2 . OR rr_1jdk 2
34 2 . 3 . rr_1jdk 2
34 3 . . . rr_1jdk 2
35 1 . . . rr_1jdk 2
36 1 . . . rr_1jdk 2
37 1 . . . rr_1jdk 2
38 1 . . . rr_1jdk 2
39 1 . . . rr_1jdk 2
40 1 . . . rr_1jdk 2
41 1 . . . rr_1jdk 2
42 1 . . . rr_1jdk 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 1 . 1 . 1 1 2 2 ILE H H . . . . 2 ILE HN rr_1jdk 2
1 1 . 2 . 1 1 2 2 ILE HA H . . . . 2 ILE HA rr_1jdk 2
2 1 . 1 . 1 1 2 2 ILE H H . . . . 2 ILE HN rr_1jdk 2
2 1 . 2 . 1 1 2 2 ILE HB H . . . . 2 ILE HB rr_1jdk 2
3 1 . 1 . 1 1 2 2 ILE H H . . . . 2 ILE HN rr_1jdk 2
3 1 . 2 . 1 1 2 2 ILE MG H . . . . 2 ILE QG2 rr_1jdk 2
4 2 . 1 . 1 1 2 2 ILE H H . . . . 2 ILE HN rr_1jdk 2
4 2 . 2 . 1 1 2 2 ILE HG12 H . . . . 2 ILE QG1 rr_1jdk 2
4 3 . 1 . 1 1 2 2 ILE H H . . . . 2 ILE HN rr_1jdk 2
4 3 . 2 . 1 1 2 2 ILE HG13 H . . . . 2 ILE QG1 rr_1jdk 2
5 1 . 1 . 1 1 2 2 ILE H H . . . . 2 ILE HN rr_1jdk 2
5 1 . 2 . 1 1 2 2 ILE MD H . . . . 2 ILE QD1 rr_1jdk 2
6 1 . 1 . 1 1 2 2 ILE H H . . . . 2 ILE HN rr_1jdk 2
6 1 . 2 . 1 1 3 3 TRP H H . . . . 3 TRP HN rr_1jdk 2
7 1 . 1 . 1 1 2 2 ILE HA H . . . . 2 ILE HA rr_1jdk 2
7 1 . 2 . 1 1 3 3 TRP H H . . . . 3 TRP HN rr_1jdk 2
8 1 . 1 . 1 1 2 2 ILE HB H . . . . 2 ILE HB rr_1jdk 2
8 1 . 2 . 1 1 3 3 TRP H H . . . . 3 TRP HN rr_1jdk 2
9 1 . 1 . 1 1 2 2 ILE MD H . . . . 2 ILE QD1 rr_1jdk 2
9 1 . 2 . 1 1 3 3 TRP H H . . . . 3 TRP HN rr_1jdk 2
10 1 . 1 . 1 1 3 3 TRP H H . . . . 3 TRP HN rr_1jdk 2
10 1 . 2 . 1 1 3 3 TRP HA H . . . . 3 TRP HA rr_1jdk 2
11 2 . 1 . 1 1 3 3 TRP H H . . . . 3 TRP HN rr_1jdk 2
11 2 . 2 . 1 1 3 3 TRP HB2 H . . . . 3 TRP QB rr_1jdk 2
11 3 . 1 . 1 1 3 3 TRP H H . . . . 3 TRP HN rr_1jdk 2
11 3 . 2 . 1 1 3 3 TRP HB3 H . . . . 3 TRP QB rr_1jdk 2
12 1 . 1 . 1 1 3 3 TRP H H . . . . 3 TRP HN rr_1jdk 2
12 1 . 2 . 1 1 3 3 TRP HD1 H . . . . 3 TRP HD1 rr_1jdk 2
13 1 . 1 . 1 1 3 3 TRP H H . . . . 3 TRP HN rr_1jdk 2
13 1 . 2 . 1 1 4 4 GLY H H . . . . 4 GLY HN rr_1jdk 2
14 1 . 1 . 1 1 3 3 TRP HA H . . . . 3 TRP HA rr_1jdk 2
14 1 . 2 . 1 1 4 4 GLY H H . . . . 4 GLY HN rr_1jdk 2
15 2 . 1 . 1 1 3 3 TRP HB2 H . . . . 3 TRP QB rr_1jdk 2
15 2 . 2 . 1 1 4 4 GLY H H . . . . 4 GLY HN rr_1jdk 2
15 3 . 1 . 1 1 3 3 TRP HB3 H . . . . 3 TRP QB rr_1jdk 2
15 3 . 2 . 1 1 4 4 GLY H H . . . . 4 GLY HN rr_1jdk 2
16 1 . 1 . 1 1 3 3 TRP HD1 H . . . . 3 TRP HD1 rr_1jdk 2
16 1 . 2 . 1 1 4 4 GLY H H . . . . 4 GLY HN rr_1jdk 2
17 1 . 1 . 1 1 3 3 TRP HE3 H . . . . 3 TRP HE3 rr_1jdk 2
17 1 . 2 . 1 1 3 3 TRP HZ2 H . . . . 3 TRP HZ2 rr_1jdk 2
18 1 . 1 . 1 1 3 3 TRP HE3 H . . . . 3 TRP HE3 rr_1jdk 2
18 1 . 2 . 1 1 3 3 TRP HH2 H . . . . 3 TRP HH2 rr_1jdk 2
19 1 . 1 . 1 1 3 3 TRP HE3 H . . . . 3 TRP HE3 rr_1jdk 2
19 1 . 2 . 1 1 4 4 GLY H H . . . . 4 GLY HN rr_1jdk 2
20 2 . 1 . 1 1 4 4 GLY H H . . . . 4 GLY HN rr_1jdk 2
20 2 . 2 . 1 1 4 4 GLY HA2 H . . . . 4 GLY QA rr_1jdk 2
20 3 . 1 . 1 1 4 4 GLY H H . . . . 4 GLY HN rr_1jdk 2
20 3 . 2 . 1 1 4 4 GLY HA3 H . . . . 4 GLY QA rr_1jdk 2
21 2 . 1 . 1 1 4 4 GLY HA2 H . . . . 4 GLY QA rr_1jdk 2
21 2 . 2 . 1 1 5 5 GLU H H . . . . 5 GLS HN rr_1jdk 2
21 3 . 1 . 1 1 4 4 GLY HA3 H . . . . 4 GLY QA rr_1jdk 2
21 3 . 2 . 1 1 5 5 GLU H H . . . . 5 GLS HN rr_1jdk 2
22 1 . 1 . 1 1 5 5 GLU H H . . . . 5 GLS HN rr_1jdk 2
22 1 . 2 . 1 1 5 5 GLU HA H . . . . 5 GLS HA rr_1jdk 2
23 2 . 1 . 1 1 5 5 GLU H H . . . . 5 GLS HN rr_1jdk 2
23 2 . 2 . 1 1 5 5 GLU HB2 H . . . . 5 GLS QB rr_1jdk 2
23 3 . 1 . 1 1 5 5 GLU H H . . . . 5 GLS HN rr_1jdk 2
23 3 . 2 . 1 1 5 5 GLU HB3 H . . . . 5 GLS QB rr_1jdk 2
24 2 . 1 . 1 1 5 5 GLU H H . . . . 5 GLS HN rr_1jdk 2
24 2 . 2 . 1 1 5 5 GLU HG2 H . . . . 5 GLS QG rr_1jdk 2
24 3 . 1 . 1 1 5 5 GLU H H . . . . 5 GLS HN rr_1jdk 2
24 3 . 2 . 1 1 5 5 GLU HG3 H . . . . 5 GLS QG rr_1jdk 2
25 1 . 1 . 1 1 5 5 GLU HA H . . . . 5 GLS HA rr_1jdk 2
25 1 . 2 . 1 1 6 6 SER H H . . . . 6 SER HN rr_1jdk 2
26 2 . 1 . 1 1 5 5 GLU HB2 H . . . . 5 GLS QB rr_1jdk 2
26 2 . 2 . 1 1 6 6 SER H H . . . . 6 SER HN rr_1jdk 2
26 3 . 1 . 1 1 5 5 GLU HB3 H . . . . 5 GLS QB rr_1jdk 2
26 3 . 2 . 1 1 6 6 SER H H . . . . 6 SER HN rr_1jdk 2
27 2 . 1 . 1 1 5 5 GLU HG2 H . . . . 5 GLS QG rr_1jdk 2
27 2 . 2 . 1 1 6 6 SER H H . . . . 6 SER HN rr_1jdk 2
27 3 . 1 . 1 1 5 5 GLU HG3 H . . . . 5 GLS QG rr_1jdk 2
27 3 . 2 . 1 1 6 6 SER H H . . . . 6 SER HN rr_1jdk 2
28 1 . 1 . 1 1 6 6 SER H H . . . . 6 SER HN rr_1jdk 2
28 1 . 2 . 1 1 6 6 SER HA H . . . . 6 SER HA rr_1jdk 2
29 2 . 1 . 1 1 6 6 SER H H . . . . 6 SER HN rr_1jdk 2
29 2 . 2 . 1 1 6 6 SER HB2 H . . . . 6 SER QB rr_1jdk 2
29 3 . 1 . 1 1 6 6 SER H H . . . . 6 SER HN rr_1jdk 2
29 3 . 2 . 1 1 6 6 SER HB3 H . . . . 6 SER QB rr_1jdk 2
30 1 . 1 . 1 1 6 6 SER H H . . . . 6 SER HN rr_1jdk 2
30 1 . 2 . 1 1 7 7 GLY H H . . . . 7 GLY HN rr_1jdk 2
31 1 . 1 . 1 1 6 6 SER HA H . . . . 6 SER HA rr_1jdk 2
31 1 . 2 . 1 1 7 7 GLY H H . . . . 7 GLY HN rr_1jdk 2
32 2 . 1 . 1 1 7 7 GLY H H . . . . 7 GLY HN rr_1jdk 2
32 2 . 2 . 1 1 7 7 GLY HA2 H . . . . 7 GLY QA rr_1jdk 2
32 3 . 1 . 1 1 7 7 GLY H H . . . . 7 GLY HN rr_1jdk 2
32 3 . 2 . 1 1 7 7 GLY HA3 H . . . . 7 GLY QA rr_1jdk 2
33 1 . 1 . 1 1 7 7 GLY H H . . . . 7 GLY HN rr_1jdk 2
33 1 . 2 . 1 1 8 8 LYS H H . . . . 8 LYS HN rr_1jdk 2
34 2 . 1 . 1 1 7 7 GLY HA2 H . . . . 7 GLY QA rr_1jdk 2
34 2 . 2 . 1 1 8 8 LYS H H . . . . 8 LYS HN rr_1jdk 2
34 3 . 1 . 1 1 7 7 GLY HA3 H . . . . 7 GLY QA rr_1jdk 2
34 3 . 2 . 1 1 8 8 LYS H H . . . . 8 LYS HN rr_1jdk 2
35 1 . 1 . 1 1 9 9 LEU HG H . . . . 9 LEU HG rr_1jdk 2
35 1 . 2 . 1 1 10 10 ILE H H . . . . 10 ILE HN rr_1jdk 2
36 1 . 1 . 1 1 10 10 ILE H H . . . . 10 ILE HN rr_1jdk 2
36 1 . 2 . 1 1 10 10 ILE HA H . . . . 10 ILE HA rr_1jdk 2
37 1 . 1 . 1 1 10 10 ILE H H . . . . 10 ILE HN rr_1jdk 2
37 1 . 2 . 1 1 10 10 ILE HB H . . . . 10 ILE HB rr_1jdk 2
38 1 . 1 . 1 1 10 10 ILE H H . . . . 10 ILE HN rr_1jdk 2
38 1 . 2 . 1 1 10 10 ILE MG H . . . . 10 ILE QG2 rr_1jdk 2
39 1 . 1 . 1 1 10 10 ILE H H . . . . 10 ILE HN rr_1jdk 2
39 1 . 2 . 1 1 10 10 ILE MD H . . . . 10 ILE QD1 rr_1jdk 2
40 1 . 1 . 1 1 10 10 ILE MD H . . . . 10 ILE QD1 rr_1jdk 2
40 1 . 2 . 1 1 12 12 THR H H . . . . 12 THR HN rr_1jdk 2
41 1 . 1 . 1 1 12 12 THR H H . . . . 12 THR HN rr_1jdk 2
41 1 . 2 . 1 1 12 12 THR HA H . . . . 12 THR HA rr_1jdk 2
42 1 . 1 . 1 1 12 12 THR H H . . . . 12 THR HN rr_1jdk 2
42 1 . 2 . 1 1 12 12 THR HB H . . . . 12 THR HB rr_1jdk 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 1 . . . . . . . 2.80 . rr_1jdk 2
2 1 . . . . . . . 2.80 . rr_1jdk 2
3 1 . . . . . . . 3.80 . rr_1jdk 2
4 2 . . . . . . . 4.80 . rr_1jdk 2
4 3 . . . . . . . 4.80 . rr_1jdk 2
5 1 . . . . . . . 4.80 . rr_1jdk 2
6 1 . . . . . . . 3.80 . rr_1jdk 2
7 1 . . . . . . . 2.20 . rr_1jdk 2
8 1 . . . . . . . 3.80 . rr_1jdk 2
9 1 . . . . . . . 4.80 . rr_1jdk 2
10 1 . . . . . . . 2.80 . rr_1jdk 2
11 2 . . . . . . . 3.14 . rr_1jdk 2
11 3 . . . . . . . 3.14 . rr_1jdk 2
12 1 . . . . . . . 4.80 . rr_1jdk 2
13 1 . . . . . . . 3.80 . rr_1jdk 2
14 1 . . . . . . . 2.20 . rr_1jdk 2
15 2 . . . . . . . 3.16 . rr_1jdk 2
15 3 . . . . . . . 3.16 . rr_1jdk 2
16 1 . . . . . . . 4.80 . rr_1jdk 2
17 1 . . . . . . . 4.80 . rr_1jdk 2
18 1 . . . . . . . 3.80 . rr_1jdk 2
19 1 . . . . . . . 4.80 . rr_1jdk 2
20 2 . . . . . . . 2.77 . rr_1jdk 2
20 3 . . . . . . . 2.77 . rr_1jdk 2
21 2 . . . . . . . 2.67 . rr_1jdk 2
21 3 . . . . . . . 2.67 . rr_1jdk 2
22 1 . . . . . . . 2.80 . rr_1jdk 2
23 2 . . . . . . . 2.98 . rr_1jdk 2
23 3 . . . . . . . 2.98 . rr_1jdk 2
24 2 . . . . . . . 4.80 . rr_1jdk 2
24 3 . . . . . . . 4.80 . rr_1jdk 2
25 1 . . . . . . . 2.20 . rr_1jdk 2
26 2 . . . . . . . 3.48 . rr_1jdk 2
26 3 . . . . . . . 3.48 . rr_1jdk 2
27 2 . . . . . . . 4.50 . rr_1jdk 2
27 3 . . . . . . . 4.50 . rr_1jdk 2
28 1 . . . . . . . 2.80 . rr_1jdk 2
29 2 . . . . . . . 3.80 . rr_1jdk 2
29 3 . . . . . . . 3.80 . rr_1jdk 2
30 1 . . . . . . . 3.80 . rr_1jdk 2
31 1 . . . . . . . 2.80 . rr_1jdk 2
32 2 . . . . . . . 2.30 . rr_1jdk 2
32 3 . . . . . . . 2.30 . rr_1jdk 2
33 1 . . . . . . . 2.80 . rr_1jdk 2
34 2 . . . . . . . 2.80 . rr_1jdk 2
34 3 . . . . . . . 2.80 . rr_1jdk 2
35 1 . . . . . . . 2.80 . rr_1jdk 2
36 1 . . . . . . . 2.80 . rr_1jdk 2
37 1 . . . . . . . 2.80 . rr_1jdk 2
38 1 . . . . . . . 3.80 . rr_1jdk 2
39 1 . . . . . . . 3.80 . rr_1jdk 2
40 1 . . . . . . . 4.80 . rr_1jdk 2
41 1 . . . . . . . 2.80 . rr_1jdk 2
42 1 . . . . . . . 2.80 . rr_1jdk 2
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 "atom1 atom2 lower limit distance" 4 1 4 52 rr_1jdk 2
stop_
loop_
_Dist_constraint_conv_err.ID
_Dist_constraint_conv_err.Dist_constraint_parse_file_ID
_Dist_constraint_conv_err.Parse_file_constraint_ID
_Dist_constraint_conv_err.Conv_error_type
_Dist_constraint_conv_err.Conv_error_note
_Dist_constraint_conv_err.Entry_ID
_Dist_constraint_conv_err.Distance_constraint_list_ID
1 3 28 1 "Not handling restraint 28, item 1, resonance(s) ' .11.HD' (nmrStar names) not linked" rr_1jdk 2
2 3 28 1 "Not handling restraint 28, item 1, resonance(s) ' .11.HD' (nmrStar names) not linked" rr_1jdk 2
3 3 29 1 "Not handling restraint 29, item 1, resonance(s) ' .11.HD' (nmrStar names) not linked" rr_1jdk 2
4 3 29 1 "Not handling restraint 29, item 1, resonance(s) ' .11.HD' (nmrStar names) not linked" rr_1jdk 2
5 3 30 1 "Not handling restraint 30, item 1, resonance(s) ' .11.HD' (nmrStar names) not linked" rr_1jdk 2
6 3 43 1 "Not handling restraint 43, item 1, resonance(s) ' .11.HN' (nmrStar names) not linked" rr_1jdk 2
7 3 44 1 "Not handling restraint 44, item 1, resonance(s) ' .11.HN' (nmrStar names) not linked" rr_1jdk 2
8 3 45 1 "Not handling restraint 45, item 1, resonance(s) ' .11.HN' (nmrStar names) not linked" rr_1jdk 2
9 3 46 1 "Not handling restraint 46, item 1, resonance(s) ' .11.HN' (nmrStar names) not linked" rr_1jdk 2
10 3 47 1 "Not handling restraint 47, item 1, resonance(s) ' .11.HN' (nmrStar names) not linked" rr_1jdk 2
11 3 49 1 "Not handling restraint 49, item 1, resonance(s) ' .11.HN' (nmrStar names),' .11.HA' (nmrStar names) not linked" rr_1jdk 2
12 3 50 1 "Not handling restraint 50, item 1, resonance(s) ' .11.HN' (nmrStar names),' .11.QG' (nmrStar names) not linked" rr_1jdk 2
13 3 51 1 "Not handling restraint 51, item 1, resonance(s) ' .11.HD' (nmrStar names),' .11.HN' (nmrStar names) not linked" rr_1jdk 2
14 3 52 1 "Not handling restraint 52, item 1, resonance(s) ' .11.HN' (nmrStar names) not linked" rr_1jdk 2
15 3 53 1 "Not handling restraint 53, item 1, resonance(s) ' .11.QB' (nmrStar names) not linked" rr_1jdk 2
16 3 54 1 "Not handling restraint 54, item 1, resonance(s) ' .11.QG' (nmrStar names) not linked" rr_1jdk 2
17 3 55 1 "Not handling restraint 55, item 1, resonance(s) ' .11.HD' (nmrStar names) not linked" rr_1jdk 2
18 3 58 1 "Not handling restraint 58, item 1, resonance(s) ' .11.ND' (nmrStar names) not linked" rr_1jdk 2
19 3 59 1 "Not handling restraint 59, item 1, resonance(s) ' .11.HD' (nmrStar names),' .5.OD1' (nmrStar names) not linked" rr_1jdk 2
20 3 60 1 "Not handling restraint 60, item 1, resonance(s) ' .11.ND' (nmrStar names) not linked" rr_1jdk 2
21 3 61 1 "Not handling restraint 61, item 1, resonance(s) ' .11.ND' (nmrStar names),' .5.OD1' (nmrStar names) not linked" rr_1jdk 2
22 3 62 1 "Not handling restraint 62, item 1, resonance(s) ' .11.CG' (nmrStar names) not linked" rr_1jdk 2
23 3 63 1 "Not handling restraint 63, item 1, resonance(s) ' .11.HD' (nmrStar names) not linked" rr_1jdk 2
24 3 64 1 "Not handling restraint 64, item 1, resonance(s) ' .11.HD' (nmrStar names) not linked" rr_1jdk 2
25 3 65 1 "Not handling restraint 65, item 1, resonance(s) ' .5.OD1' (nmrStar names),' .11.CG' (nmrStar names) not linked" rr_1jdk 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_1jdk
_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 VIRUS/VIRAL PROTEIN 14-JUN-01 1JDK *TITLE SOLUTION STRUCTURE OF LACTAM ANALOGUE (EDAP) OF HIV GP41 *TITLE 2 600-612 LOOP. *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: ACETYL GROUP; *COMPND 3 CHAIN: NULL; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 OTHER_DETAILS: THE PARENT PEPTIDE IWGCSGKLICTTA OCCURS *SOURCE 4 NATURALLY IN HIV GP41 GLYCOPROTEIN *KEYWDS CYCLIC PEPTIDE, PEPTIDOMIMETICS, HIV, GP41, LACTAM BOND *EXPDTA NMR, 25 STRUCTURES *AUTHOR A.PHAN CHAN DU, D.LIMAL, V.SEMETEY, H.DALI, M.JOLIVET, *AUTHOR 2 C.DESGRANGES, M.T.CUNG, J.P.BRIAND, M.C.PETIT, S.MULLER *REVDAT 1 08-JUL-03 1JDK 1 REPROCESSED CONSTRAINTS FILE *REVDAT 1 01-JUL-03 1JDK 0"
save_
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