NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype |
|
|
284685 |
1arr   |
395 | cing | 4-filtered-FRED | STAR | entry | full |
data_FRED_restraints_with_modified_coordinates_PDB_code_1arr
# This FRED archive file contains, for PDB entry <1arr>:
#
# - 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 and the filtering process
# used in creating these files, the NMR restraints information in these files
# may differ significantly from that in the originally deposited file. Other
# 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_1arr
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 1arr"
_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 1arr"
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_1arr
_Assembly.ID 1
_Assembly.Name 1arr
_Assembly.Number_of_components 2
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 0
_Assembly.Non_standard_bonds no
_Assembly.Paramagnetic no
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 12426.2412
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 "ARC REPRESSOR" 1 $ARC_REPRESSOR A . no . . . . . . rr_1arr 1
2 "ARC REPRESSOR" 1 $ARC_REPRESSOR B . no . . . . . . rr_1arr 1
stop_
save_
save_ARC_REPRESSOR
_Entity.Sf_category entity
_Entity.Sf_framecode ARC_REPRESSOR
_Entity.Entry_ID rr_1arr
_Entity.ID 1
_Entity.Name ARC_REPRESSOR
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_strand_ID A,B
_Entity.Polymer_seq_one_letter_code
;MKGMSKMPQFNLRWPREVLD
LVRKVAEENGRSVNSEIYQR
VMESFKKEGRIGA
;
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Number_of_monomers 53
_Entity.Paramagnetic no
_Entity.Thiol_state "not present"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 6213.1206
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 . MET . rr_1arr 1
2 . LYS . rr_1arr 1
3 . GLY . rr_1arr 1
4 . MET . rr_1arr 1
5 . SER . rr_1arr 1
6 . LYS . rr_1arr 1
7 . MET . rr_1arr 1
8 . PRO . rr_1arr 1
9 . GLN . rr_1arr 1
10 . PHE . rr_1arr 1
11 . ASN . rr_1arr 1
12 . LEU . rr_1arr 1
13 . ARG . rr_1arr 1
14 . TRP . rr_1arr 1
15 . PRO . rr_1arr 1
16 . ARG . rr_1arr 1
17 . GLU . rr_1arr 1
18 . VAL . rr_1arr 1
19 . LEU . rr_1arr 1
20 . ASP . rr_1arr 1
21 . LEU . rr_1arr 1
22 . VAL . rr_1arr 1
23 . ARG . rr_1arr 1
24 . LYS . rr_1arr 1
25 . VAL . rr_1arr 1
26 . ALA . rr_1arr 1
27 . GLU . rr_1arr 1
28 . GLU . rr_1arr 1
29 . ASN . rr_1arr 1
30 . GLY . rr_1arr 1
31 . ARG . rr_1arr 1
32 . SER . rr_1arr 1
33 . VAL . rr_1arr 1
34 . ASN . rr_1arr 1
35 . SER . rr_1arr 1
36 . GLU . rr_1arr 1
37 . ILE . rr_1arr 1
38 . TYR . rr_1arr 1
39 . GLN . rr_1arr 1
40 . ARG . rr_1arr 1
41 . VAL . rr_1arr 1
42 . MET . rr_1arr 1
43 . GLU . rr_1arr 1
44 . SER . rr_1arr 1
45 . PHE . rr_1arr 1
46 . LYS . rr_1arr 1
47 . LYS . rr_1arr 1
48 . GLU . rr_1arr 1
49 . GLY . rr_1arr 1
50 . ARG . rr_1arr 1
51 . ILE . rr_1arr 1
52 . GLY . rr_1arr 1
53 . ALA . rr_1arr 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
. MET 1 1 rr_1arr 1
. LYS 2 2 rr_1arr 1
. GLY 3 3 rr_1arr 1
. MET 4 4 rr_1arr 1
. SER 5 5 rr_1arr 1
. LYS 6 6 rr_1arr 1
. MET 7 7 rr_1arr 1
. PRO 8 8 rr_1arr 1
. GLN 9 9 rr_1arr 1
. PHE 10 10 rr_1arr 1
. ASN 11 11 rr_1arr 1
. LEU 12 12 rr_1arr 1
. ARG 13 13 rr_1arr 1
. TRP 14 14 rr_1arr 1
. PRO 15 15 rr_1arr 1
. ARG 16 16 rr_1arr 1
. GLU 17 17 rr_1arr 1
. VAL 18 18 rr_1arr 1
. LEU 19 19 rr_1arr 1
. ASP 20 20 rr_1arr 1
. LEU 21 21 rr_1arr 1
. VAL 22 22 rr_1arr 1
. ARG 23 23 rr_1arr 1
. LYS 24 24 rr_1arr 1
. VAL 25 25 rr_1arr 1
. ALA 26 26 rr_1arr 1
. GLU 27 27 rr_1arr 1
. GLU 28 28 rr_1arr 1
. ASN 29 29 rr_1arr 1
. GLY 30 30 rr_1arr 1
. ARG 31 31 rr_1arr 1
. SER 32 32 rr_1arr 1
. VAL 33 33 rr_1arr 1
. ASN 34 34 rr_1arr 1
. SER 35 35 rr_1arr 1
. GLU 36 36 rr_1arr 1
. ILE 37 37 rr_1arr 1
. TYR 38 38 rr_1arr 1
. GLN 39 39 rr_1arr 1
. ARG 40 40 rr_1arr 1
. VAL 41 41 rr_1arr 1
. MET 42 42 rr_1arr 1
. GLU 43 43 rr_1arr 1
. SER 44 44 rr_1arr 1
. PHE 45 45 rr_1arr 1
. LYS 46 46 rr_1arr 1
. LYS 47 47 rr_1arr 1
. GLU 48 48 rr_1arr 1
. GLY 49 49 rr_1arr 1
. ARG 50 50 rr_1arr 1
. ILE 51 51 rr_1arr 1
. GLY 52 52 rr_1arr 1
. ALA 53 53 rr_1arr 1
stop_
save_
save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID rr_1arr
_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 1
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_1arr
_Conformer_family_coord_set.ID 1
loop_
_Conformer_family_refinement.Refine_method
_Conformer_family_refinement.Refine_details
_Conformer_family_refinement.Entry_ID
_Conformer_family_refinement.Conformer_family_coord_set_ID
1 . rr_1arr 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_1arr 1
stop_
loop_
_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_atom_name
_Atom_site.PDB_ins_code
_Atom_site.PDB_model_num
_Atom_site.PDB_residue_name
_Atom_site.PDB_residue_no
_Atom_site.PDB_strand_id
_Atom_site.Auth_asym_ID
_Atom_site.Auth_chain_ID
_Atom_site.Auth_entity_assembly_ID
_Atom_site.Auth_seq_ID
_Atom_site.Auth_comp_ID
_Atom_site.Auth_atom_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 MET C C -20.705 -13.276 -2.433 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 MET C . . rr_1arr 1
1 . 2 . 1 1 1 MET CA C -19.633 -12.363 -3.047 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 MET CA . . rr_1arr 1
1 . 3 . 1 1 1 MET CB C -19.626 -12.454 -4.591 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 MET CB . . rr_1arr 1
1 . 4 . 1 1 1 MET CE C -18.924 -16.469 -5.575 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 MET CE . . rr_1arr 1
1 . 5 . 1 1 1 MET CG C -19.017 -13.741 -5.169 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 MET CG . . rr_1arr 1
1 . 6 . 1 1 1 MET N N -18.265 -12.514 -2.498 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 MET N . . rr_1arr 1
1 . 7 . 1 1 1 MET O O -21.855 -12.862 -2.282 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 MET O . . rr_1arr 1
1 . 8 . 1 1 1 MET SD S -20.069 -15.236 -5.005 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 MET SD . . rr_1arr 1
1 . 9 . 1 1 2 LYS C C -21.887 -14.878 -0.039 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS C . . rr_1arr 1
1 . 10 . 1 1 2 LYS CA C -21.094 -15.427 -1.233 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CA . . rr_1arr 1
1 . 11 . 1 1 2 LYS CB C -20.272 -16.680 -0.924 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CB . . rr_1arr 1
1 . 12 . 1 1 2 LYS CD C -19.440 -16.806 1.470 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CD . . rr_1arr 1
1 . 13 . 1 1 2 LYS CE C -18.300 -16.510 2.445 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CE . . rr_1arr 1
1 . 14 . 1 1 2 LYS CG C -19.069 -16.489 0.023 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CG . . rr_1arr 1
1 . 15 . 1 1 2 LYS N N -20.246 -14.394 -1.883 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS N . . rr_1arr 1
1 . 16 . 1 1 2 LYS NZ N -18.101 -15.055 2.578 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS NZ . . rr_1arr 1
1 . 17 . 1 1 2 LYS O O -22.972 -15.359 0.275 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS O . . rr_1arr 1
1 . 18 . 1 1 3 GLY C C -21.270 -11.724 1.543 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 GLY C . . rr_1arr 1
1 . 19 . 1 1 3 GLY CA C -21.819 -13.134 1.757 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 GLY CA . . rr_1arr 1
1 . 20 . 1 1 3 GLY N N -21.228 -13.991 0.705 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 GLY N . . rr_1arr 1
1 . 21 . 1 1 3 GLY O O -20.793 -11.092 2.476 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 GLY O . . rr_1arr 1
1 . 22 . 1 1 4 MET C C -19.346 -9.761 0.339 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 MET C . . rr_1arr 1
1 . 23 . 1 1 4 MET CA C -20.759 -10.008 -0.187 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 MET CA . . rr_1arr 1
1 . 24 . 1 1 4 MET CB C -21.730 -8.833 -0.097 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 MET CB . . rr_1arr 1
1 . 25 . 1 1 4 MET CE C -23.332 -8.875 -3.937 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 MET CE . . rr_1arr 1
1 . 26 . 1 1 4 MET CG C -22.282 -8.389 -1.454 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 MET CG . . rr_1arr 1
1 . 27 . 1 1 4 MET N N -21.476 -11.212 0.321 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 MET N . . rr_1arr 1
1 . 28 . 1 1 4 MET O O -18.877 -8.638 0.494 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 MET O . . rr_1arr 1
1 . 29 . 1 1 4 MET SD S -23.226 -9.671 -2.348 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 MET SD . . rr_1arr 1
1 . 30 . 1 1 5 SER C C -16.267 -10.692 -0.799 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 SER C . . rr_1arr 1
1 . 31 . 1 1 5 SER CA C -17.206 -11.003 0.353 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 SER CA . . rr_1arr 1
1 . 32 . 1 1 5 SER CB C -17.070 -12.455 0.861 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 SER CB . . rr_1arr 1
1 . 33 . 1 1 5 SER N N -18.609 -10.786 -0.038 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 SER N . . rr_1arr 1
1 . 34 . 1 1 5 SER O O -15.368 -11.428 -1.199 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 SER O . . rr_1arr 1
1 . 35 . 1 1 5 SER OG O -17.619 -13.402 -0.064 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 SER OG . . rr_1arr 1
1 . 36 . 1 1 6 LYS C C -14.306 -8.238 -2.032 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 LYS C . . rr_1arr 1
1 . 37 . 1 1 6 LYS CA C -15.701 -8.806 -2.263 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 LYS CA . . rr_1arr 1
1 . 38 . 1 1 6 LYS CB C -16.644 -7.867 -3.010 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 LYS CB . . rr_1arr 1
1 . 39 . 1 1 6 LYS CD C -18.852 -7.429 -4.257 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 LYS CD . . rr_1arr 1
1 . 40 . 1 1 6 LYS CE C -19.353 -6.170 -3.540 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 LYS CE . . rr_1arr 1
1 . 41 . 1 1 6 LYS CG C -18.054 -8.378 -3.364 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 LYS CG . . rr_1arr 1
1 . 42 . 1 1 6 LYS N N -16.334 -9.394 -1.083 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 LYS N . . rr_1arr 1
1 . 43 . 1 1 6 LYS NZ N -20.237 -5.435 -4.452 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 LYS NZ . . rr_1arr 1
1 . 44 . 1 1 6 LYS O O -14.032 -7.041 -2.156 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 LYS O . . rr_1arr 1
1 . 45 . 1 1 7 MET C C -11.163 -10.128 -2.713 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 MET C . . rr_1arr 1
1 . 46 . 1 1 7 MET CA C -11.992 -9.139 -1.864 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 MET CA . . rr_1arr 1
1 . 47 . 1 1 7 MET CB C -11.867 -9.339 -0.362 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 MET CB . . rr_1arr 1
1 . 48 . 1 1 7 MET CE C -10.817 -6.667 1.458 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 MET CE . . rr_1arr 1
1 . 49 . 1 1 7 MET CG C -10.429 -9.090 0.127 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 MET CG . . rr_1arr 1
1 . 50 . 1 1 7 MET N N -13.450 -9.237 -2.153 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 MET N . . rr_1arr 1
1 . 51 . 1 1 7 MET O O -10.960 -11.279 -2.323 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 MET O . . rr_1arr 1
1 . 52 . 1 1 7 MET SD S -9.900 -7.329 0.082 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 MET SD . . rr_1arr 1
1 . 53 . 1 1 8 PRO C C -8.434 -9.884 -4.539 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 PRO C . . rr_1arr 1
1 . 54 . 1 1 8 PRO CA C -9.834 -10.386 -4.822 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 PRO CA . . rr_1arr 1
1 . 55 . 1 1 8 PRO CB C -10.336 -10.100 -6.241 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 PRO CB . . rr_1arr 1
1 . 56 . 1 1 8 PRO CD C -11.612 -8.755 -4.726 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 PRO CD . . rr_1arr 1
1 . 57 . 1 1 8 PRO CG C -11.695 -9.421 -6.094 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 PRO CG . . rr_1arr 1
1 . 58 . 1 1 8 PRO N N -10.821 -9.718 -3.944 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 PRO N . . rr_1arr 1
1 . 59 . 1 1 8 PRO O O -8.176 -8.828 -3.972 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 PRO O . . rr_1arr 1
1 . 60 . 1 1 9 GLN C C -5.529 -11.013 -6.066 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 GLN C . . rr_1arr 1
1 . 61 . 1 1 9 GLN CA C -6.157 -10.978 -4.642 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 GLN CA . . rr_1arr 1
1 . 62 . 1 1 9 GLN CB C -5.701 -12.154 -3.768 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 GLN CB . . rr_1arr 1
1 . 63 . 1 1 9 GLN CD C -5.414 -14.611 -3.365 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 GLN CD . . rr_1arr 1
1 . 64 . 1 1 9 GLN CG C -6.245 -13.551 -4.075 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 GLN CG . . rr_1arr 1
1 . 65 . 1 1 9 GLN N N -7.623 -10.904 -4.724 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 GLN N . . rr_1arr 1
1 . 66 . 1 1 9 GLN NE2 N -5.945 -15.134 -2.274 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 GLN NE2 . . rr_1arr 1
1 . 67 . 1 1 9 GLN O O -5.982 -11.772 -6.926 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 GLN O . . rr_1arr 1
1 . 68 . 1 1 9 GLN OE1 O -4.302 -14.938 -3.749 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 GLN OE1 . . rr_1arr 1
1 . 69 . 1 1 10 PHE C C -2.340 -9.756 -7.426 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 PHE C . . rr_1arr 1
1 . 70 . 1 1 10 PHE CA C -3.846 -10.014 -7.595 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 PHE CA . . rr_1arr 1
1 . 71 . 1 1 10 PHE CB C -4.475 -8.833 -8.390 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 PHE CB . . rr_1arr 1
1 . 72 . 1 1 10 PHE CD1 C -5.128 -7.063 -6.586 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 PHE CD1 . . rr_1arr 1
1 . 73 . 1 1 10 PHE CD2 C -3.510 -6.618 -8.366 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 PHE CD2 . . rr_1arr 1
1 . 74 . 1 1 10 PHE CE1 C -4.890 -5.781 -6.024 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 PHE CE1 . . rr_1arr 1
1 . 75 . 1 1 10 PHE CE2 C -3.278 -5.316 -7.819 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 PHE CE2 . . rr_1arr 1
1 . 76 . 1 1 10 PHE CG C -4.405 -7.472 -7.729 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 PHE CG . . rr_1arr 1
1 . 77 . 1 1 10 PHE CZ C -3.931 -4.942 -6.631 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 PHE CZ . . rr_1arr 1
1 . 78 . 1 1 10 PHE N N -4.523 -10.183 -6.299 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 PHE N . . rr_1arr 1
1 . 79 . 1 1 10 PHE O O -1.901 -9.180 -6.418 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 PHE O . . rr_1arr 1
1 . 80 . 1 1 11 ASN C C 0.402 -8.956 -9.272 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 ASN C . . rr_1arr 1
1 . 81 . 1 1 11 ASN CA C -0.111 -10.130 -8.458 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 ASN CA . . rr_1arr 1
1 . 82 . 1 1 11 ASN CB C 0.268 -11.439 -9.081 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 ASN CB . . rr_1arr 1
1 . 83 . 1 1 11 ASN CG C 1.730 -11.816 -8.751 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 ASN CG . . rr_1arr 1
1 . 84 . 1 1 11 ASN N N -1.585 -10.163 -8.432 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 ASN N . . rr_1arr 1
1 . 85 . 1 1 11 ASN ND2 N 2.010 -12.553 -7.679 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 ASN ND2 . . rr_1arr 1
1 . 86 . 1 1 11 ASN O O -0.042 -8.670 -10.389 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 ASN O . . rr_1arr 1
1 . 87 . 1 1 11 ASN OD1 O 2.657 -11.390 -9.432 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 11 ASN OD1 . . rr_1arr 1
1 . 88 . 1 1 12 LEU C C 3.696 -7.692 -9.438 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 LEU C . . rr_1arr 1
1 . 89 . 1 1 12 LEU CA C 2.200 -7.325 -9.261 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 LEU CA . . rr_1arr 1
1 . 90 . 1 1 12 LEU CB C 2.255 -5.956 -8.552 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 LEU CB . . rr_1arr 1
1 . 91 . 1 1 12 LEU CD1 C 0.872 -4.208 -7.355 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 LEU CD1 . . rr_1arr 1
1 . 92 . 1 1 12 LEU CD2 C -0.071 -5.099 -9.459 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 LEU CD2 . . rr_1arr 1
1 . 93 . 1 1 12 LEU CG C 0.860 -5.466 -8.330 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 LEU CG . . rr_1arr 1
1 . 94 . 1 1 12 LEU N N 1.407 -8.383 -8.662 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 LEU N . . rr_1arr 1
1 . 95 . 1 1 12 LEU O O 4.224 -8.378 -8.556 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 12 LEU O . . rr_1arr 1
1 . 96 . 1 1 13 ARG C C 6.583 -6.209 -10.970 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 ARG C . . rr_1arr 1
1 . 97 . 1 1 13 ARG CA C 5.794 -7.502 -10.682 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 ARG CA . . rr_1arr 1
1 . 98 . 1 1 13 ARG CB C 6.247 -8.685 -11.569 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 ARG CB . . rr_1arr 1
1 . 99 . 1 1 13 ARG CD C 4.158 -8.561 -13.223 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 ARG CD . . rr_1arr 1
1 . 100 . 1 1 13 ARG CG C 5.653 -8.852 -12.973 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 ARG CG . . rr_1arr 1
1 . 101 . 1 1 13 ARG CZ C 2.617 -10.543 -13.282 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 ARG CZ . . rr_1arr 1
1 . 102 . 1 1 13 ARG N N 4.358 -7.215 -10.496 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 ARG N . . rr_1arr 1
1 . 103 . 1 1 13 ARG NE N 3.205 -9.525 -12.628 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 ARG NE . . rr_1arr 1
1 . 104 . 1 1 13 ARG NH1 N 2.706 -10.687 -14.594 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 ARG NH1 . . rr_1arr 1
1 . 105 . 1 1 13 ARG NH2 N 2.045 -11.519 -12.586 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 ARG NH2 . . rr_1arr 1
1 . 106 . 1 1 13 ARG O O 6.378 -5.572 -12.018 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 13 ARG O . . rr_1arr 1
1 . 107 . 1 1 14 TRP C C 9.621 -4.853 -9.633 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 TRP C . . rr_1arr 1
1 . 108 . 1 1 14 TRP CA C 8.136 -4.574 -9.961 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 TRP CA . . rr_1arr 1
1 . 109 . 1 1 14 TRP CB C 7.609 -3.639 -8.863 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 TRP CB . . rr_1arr 1
1 . 110 . 1 1 14 TRP CD1 C 5.505 -3.172 -10.244 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 TRP CD1 . . rr_1arr 1
1 . 111 . 1 1 14 TRP CD2 C 5.437 -2.434 -8.182 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 TRP CD2 . . rr_1arr 1
1 . 112 . 1 1 14 TRP CE2 C 4.233 -2.158 -8.842 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 TRP CE2 . . rr_1arr 1
1 . 113 . 1 1 14 TRP CE3 C 5.703 -1.938 -6.899 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 TRP CE3 . . rr_1arr 1
1 . 114 . 1 1 14 TRP CG C 6.209 -3.098 -9.118 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 TRP CG . . rr_1arr 1
1 . 115 . 1 1 14 TRP CH2 C 3.465 -0.881 -6.958 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 TRP CH2 . . rr_1arr 1
1 . 116 . 1 1 14 TRP CZ2 C 3.277 -1.350 -8.267 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 TRP CZ2 . . rr_1arr 1
1 . 117 . 1 1 14 TRP CZ3 C 4.690 -1.137 -6.289 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 TRP CZ3 . . rr_1arr 1
1 . 118 . 1 1 14 TRP N N 7.406 -5.847 -9.995 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 TRP N . . rr_1arr 1
1 . 119 . 1 1 14 TRP NE1 N 4.294 -2.654 -10.064 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 TRP NE1 . . rr_1arr 1
1 . 120 . 1 1 14 TRP O O 9.901 -5.911 -9.063 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 14 TRP O . . rr_1arr 1
1 . 121 . 1 1 15 PRO C C 12.233 -4.177 -8.135 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 PRO C . . rr_1arr 1
1 . 122 . 1 1 15 PRO CA C 11.968 -4.132 -9.652 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 PRO CA . . rr_1arr 1
1 . 123 . 1 1 15 PRO CB C 12.723 -3.011 -10.357 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 PRO CB . . rr_1arr 1
1 . 124 . 1 1 15 PRO CD C 10.367 -2.879 -10.996 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 PRO CD . . rr_1arr 1
1 . 125 . 1 1 15 PRO CG C 11.783 -2.539 -11.472 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 PRO CG . . rr_1arr 1
1 . 126 . 1 1 15 PRO N N 10.554 -3.971 -10.015 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 PRO N . . rr_1arr 1
1 . 127 . 1 1 15 PRO O O 11.631 -3.454 -7.340 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 15 PRO O . . rr_1arr 1
1 . 128 . 1 1 16 ARG C C 13.831 -4.053 -5.540 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 ARG C . . rr_1arr 1
1 . 129 . 1 1 16 ARG CA C 13.744 -5.295 -6.476 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 ARG CA . . rr_1arr 1
1 . 130 . 1 1 16 ARG CB C 14.241 -6.659 -6.058 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 ARG CB . . rr_1arr 1
1 . 131 . 1 1 16 ARG CD C 15.701 -8.035 -4.489 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 ARG CD . . rr_1arr 1
1 . 132 . 1 1 16 ARG CG C 14.971 -6.705 -4.727 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 ARG CG . . rr_1arr 1
1 . 133 . 1 1 16 ARG CZ C 13.871 -9.769 -4.152 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 ARG CZ . . rr_1arr 1
1 . 134 . 1 1 16 ARG N N 13.204 -5.031 -7.795 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 ARG N . . rr_1arr 1
1 . 135 . 1 1 16 ARG NE N 14.892 -9.222 -4.810 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 ARG NE . . rr_1arr 1
1 . 136 . 1 1 16 ARG NH1 N 13.383 -9.283 -3.012 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 ARG NH1 . . rr_1arr 1
1 . 137 . 1 1 16 ARG NH2 N 13.369 -10.915 -4.594 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 ARG NH2 . . rr_1arr 1
1 . 138 . 1 1 16 ARG O O 13.096 -3.919 -4.562 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 16 ARG O . . rr_1arr 1
1 . 139 . 1 1 17 GLU C C 13.427 -0.894 -5.064 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 GLU C . . rr_1arr 1
1 . 140 . 1 1 17 GLU CA C 14.640 -1.715 -5.452 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 GLU CA . . rr_1arr 1
1 . 141 . 1 1 17 GLU CB C 15.638 -0.936 -6.311 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 GLU CB . . rr_1arr 1
1 . 142 . 1 1 17 GLU CD C 17.079 -2.344 -7.968 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 GLU CD . . rr_1arr 1
1 . 143 . 1 1 17 GLU CG C 16.985 -1.631 -6.599 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 GLU CG . . rr_1arr 1
1 . 144 . 1 1 17 GLU N N 14.378 -2.998 -6.129 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 GLU N . . rr_1arr 1
1 . 145 . 1 1 17 GLU O O 13.333 -0.436 -3.932 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 GLU O . . rr_1arr 1
1 . 146 . 1 1 17 GLU OE1 O 16.246 -3.243 -8.223 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 GLU OE1 . . rr_1arr 1
1 . 147 . 1 1 17 GLU OE2 O 17.999 -1.967 -8.715 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 GLU OE2 . . rr_1arr 1
1 . 148 . 1 1 18 VAL C C 10.373 -1.076 -4.459 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 VAL C . . rr_1arr 1
1 . 149 . 1 1 18 VAL CA C 11.089 -0.388 -5.634 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 VAL CA . . rr_1arr 1
1 . 150 . 1 1 18 VAL CB C 10.301 -0.429 -6.918 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 VAL CB . . rr_1arr 1
1 . 151 . 1 1 18 VAL CG1 C 8.878 0.123 -6.801 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 VAL CG1 . . rr_1arr 1
1 . 152 . 1 1 18 VAL CG2 C 10.951 0.381 -8.018 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 VAL CG2 . . rr_1arr 1
1 . 153 . 1 1 18 VAL N N 12.376 -1.076 -5.850 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 VAL N . . rr_1arr 1
1 . 154 . 1 1 18 VAL O O 10.099 -0.426 -3.460 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 18 VAL O . . rr_1arr 1
1 . 155 . 1 1 19 LEU C C 10.535 -2.883 -2.040 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 LEU C . . rr_1arr 1
1 . 156 . 1 1 19 LEU CA C 9.927 -3.266 -3.393 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 LEU CA . . rr_1arr 1
1 . 157 . 1 1 19 LEU CB C 10.274 -4.739 -3.660 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 LEU CB . . rr_1arr 1
1 . 158 . 1 1 19 LEU CD1 C 8.878 -5.099 -5.889 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 LEU CD1 . . rr_1arr 1
1 . 159 . 1 1 19 LEU CD2 C 8.889 -6.655 -3.822 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 LEU CD2 . . rr_1arr 1
1 . 160 . 1 1 19 LEU CG C 9.045 -5.236 -4.411 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 LEU CG . . rr_1arr 1
1 . 161 . 1 1 19 LEU N N 10.450 -2.395 -4.477 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 LEU N . . rr_1arr 1
1 . 162 . 1 1 19 LEU O O 9.818 -2.408 -1.161 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 19 LEU O . . rr_1arr 1
1 . 163 . 1 1 20 ASP C C 12.410 -0.992 -0.419 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 ASP C . . rr_1arr 1
1 . 164 . 1 1 20 ASP CA C 12.759 -2.356 -1.027 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 ASP CA . . rr_1arr 1
1 . 165 . 1 1 20 ASP CB C 14.148 -2.552 -1.579 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 ASP CB . . rr_1arr 1
1 . 166 . 1 1 20 ASP CG C 14.612 -3.967 -1.972 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 ASP CG . . rr_1arr 1
1 . 167 . 1 1 20 ASP N N 11.846 -2.680 -2.121 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 ASP N . . rr_1arr 1
1 . 168 . 1 1 20 ASP O O 12.059 -0.909 0.748 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 ASP O . . rr_1arr 1
1 . 169 . 1 1 20 ASP OD1 O 14.097 -4.935 -1.382 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 ASP OD1 . . rr_1arr 1
1 . 170 . 1 1 20 ASP OD2 O 15.523 -4.020 -2.828 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 20 ASP OD2 . . rr_1arr 1
1 . 171 . 1 1 21 LEU C C 10.487 1.510 -0.380 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 LEU C . . rr_1arr 1
1 . 172 . 1 1 21 LEU CA C 11.894 1.372 -1.009 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 LEU CA . . rr_1arr 1
1 . 173 . 1 1 21 LEU CB C 12.314 2.227 -2.103 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 LEU CB . . rr_1arr 1
1 . 174 . 1 1 21 LEU CD1 C 12.551 4.330 -0.798 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 LEU CD1 . . rr_1arr 1
1 . 175 . 1 1 21 LEU CD2 C 11.896 4.331 -3.325 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 LEU CD2 . . rr_1arr 1
1 . 176 . 1 1 21 LEU CG C 11.798 3.690 -1.948 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 LEU CG . . rr_1arr 1
1 . 177 . 1 1 21 LEU N N 12.110 -0.056 -1.319 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 LEU N . . rr_1arr 1
1 . 178 . 1 1 21 LEU O O 10.360 2.059 0.714 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 21 LEU O . . rr_1arr 1
1 . 179 . 1 1 22 VAL C C 8.075 0.249 0.884 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 VAL C . . rr_1arr 1
1 . 180 . 1 1 22 VAL CA C 8.104 0.886 -0.522 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 VAL CA . . rr_1arr 1
1 . 181 . 1 1 22 VAL CB C 7.248 -0.020 -1.400 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 VAL CB . . rr_1arr 1
1 . 182 . 1 1 22 VAL CG1 C 5.789 -0.150 -0.931 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 VAL CG1 . . rr_1arr 1
1 . 183 . 1 1 22 VAL CG2 C 7.167 0.215 -2.892 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 VAL CG2 . . rr_1arr 1
1 . 184 . 1 1 22 VAL N N 9.479 0.895 -1.004 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 VAL N . . rr_1arr 1
1 . 185 . 1 1 22 VAL O O 7.551 0.855 1.808 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 22 VAL O . . rr_1arr 1
1 . 186 . 1 1 23 ARG C C 9.441 -0.667 3.452 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 ARG C . . rr_1arr 1
1 . 187 . 1 1 23 ARG CA C 8.914 -1.571 2.340 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 ARG CA . . rr_1arr 1
1 . 188 . 1 1 23 ARG CB C 9.797 -2.828 2.220 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 ARG CB . . rr_1arr 1
1 . 189 . 1 1 23 ARG CD C 10.183 -5.089 1.189 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 ARG CD . . rr_1arr 1
1 . 190 . 1 1 23 ARG CG C 9.156 -3.996 1.448 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 ARG CG . . rr_1arr 1
1 . 191 . 1 1 23 ARG CZ C 9.442 -7.342 0.354 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 ARG CZ . . rr_1arr 1
1 . 192 . 1 1 23 ARG N N 8.803 -0.867 1.049 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 ARG N . . rr_1arr 1
1 . 193 . 1 1 23 ARG NE N 9.634 -6.024 0.201 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 ARG NE . . rr_1arr 1
1 . 194 . 1 1 23 ARG NH1 N 9.802 -7.985 1.452 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 ARG NH1 . . rr_1arr 1
1 . 195 . 1 1 23 ARG NH2 N 8.838 -8.041 -0.605 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 ARG NH2 . . rr_1arr 1
1 . 196 . 1 1 23 ARG O O 8.680 -0.344 4.358 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 23 ARG O . . rr_1arr 1
1 . 197 . 1 1 24 LYS C C 10.185 2.082 4.428 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 LYS C . . rr_1arr 1
1 . 198 . 1 1 24 LYS CA C 11.188 1.000 3.991 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 LYS CA . . rr_1arr 1
1 . 199 . 1 1 24 LYS CB C 12.398 1.660 3.391 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 LYS CB . . rr_1arr 1
1 . 200 . 1 1 24 LYS CD C 14.869 1.545 2.891 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 LYS CD . . rr_1arr 1
1 . 201 . 1 1 24 LYS CE C 15.613 2.067 4.138 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 LYS CE . . rr_1arr 1
1 . 202 . 1 1 24 LYS CG C 13.609 0.732 3.202 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 LYS CG . . rr_1arr 1
1 . 203 . 1 1 24 LYS N N 10.527 0.013 3.099 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 LYS N . . rr_1arr 1
1 . 204 . 1 1 24 LYS NZ N 14.864 3.090 4.881 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 LYS NZ . . rr_1arr 1
1 . 205 . 1 1 24 LYS O O 9.898 2.209 5.616 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 24 LYS O . . rr_1arr 1
1 . 206 . 1 1 25 VAL C C 7.388 3.479 4.309 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 VAL C . . rr_1arr 1
1 . 207 . 1 1 25 VAL CA C 8.704 3.896 3.606 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 VAL CA . . rr_1arr 1
1 . 208 . 1 1 25 VAL CB C 8.509 4.559 2.301 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 VAL CB . . rr_1arr 1
1 . 209 . 1 1 25 VAL CG1 C 7.880 5.923 2.661 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 VAL CG1 . . rr_1arr 1
1 . 210 . 1 1 25 VAL CG2 C 9.676 4.964 1.418 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 VAL CG2 . . rr_1arr 1
1 . 211 . 1 1 25 VAL N N 9.610 2.773 3.449 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 VAL N . . rr_1arr 1
1 . 212 . 1 1 25 VAL O O 6.979 4.133 5.261 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 25 VAL O . . rr_1arr 1
1 . 213 . 1 1 26 ALA C C 5.756 1.569 6.011 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 ALA C . . rr_1arr 1
1 . 214 . 1 1 26 ALA CA C 5.564 1.786 4.498 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 ALA CA . . rr_1arr 1
1 . 215 . 1 1 26 ALA CB C 5.215 0.513 3.799 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 ALA CB . . rr_1arr 1
1 . 216 . 1 1 26 ALA N N 6.817 2.342 3.929 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 ALA N . . rr_1arr 1
1 . 217 . 1 1 26 ALA O O 5.005 2.055 6.853 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 26 ALA O . . rr_1arr 1
1 . 218 . 1 1 27 GLU C C 7.621 2.009 8.449 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 GLU C . . rr_1arr 1
1 . 219 . 1 1 27 GLU CA C 7.505 0.724 7.608 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 GLU CA . . rr_1arr 1
1 . 220 . 1 1 27 GLU CB C 8.704 -0.143 7.561 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 GLU CB . . rr_1arr 1
1 . 221 . 1 1 27 GLU CD C 9.414 -2.477 7.040 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 GLU CD . . rr_1arr 1
1 . 222 . 1 1 27 GLU CG C 8.198 -1.566 7.252 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 GLU CG . . rr_1arr 1
1 . 223 . 1 1 27 GLU N N 6.931 1.021 6.270 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 GLU N . . rr_1arr 1
1 . 224 . 1 1 27 GLU O O 7.007 2.136 9.505 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 GLU O . . rr_1arr 1
1 . 225 . 1 1 27 GLU OE1 O 9.930 -2.508 5.907 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 GLU OE1 . . rr_1arr 1
1 . 226 . 1 1 27 GLU OE2 O 9.820 -3.109 8.041 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 27 GLU OE2 . . rr_1arr 1
1 . 227 . 1 1 28 GLU C C 7.260 4.999 8.691 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 28 GLU C . . rr_1arr 1
1 . 228 . 1 1 28 GLU CA C 8.590 4.352 8.210 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 28 GLU CA . . rr_1arr 1
1 . 229 . 1 1 28 GLU CB C 9.315 5.062 7.135 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 28 GLU CB . . rr_1arr 1
1 . 230 . 1 1 28 GLU CD C 10.751 7.037 6.713 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 28 GLU CD . . rr_1arr 1
1 . 231 . 1 1 28 GLU CG C 9.657 6.442 7.623 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 28 GLU CG . . rr_1arr 1
1 . 232 . 1 1 28 GLU N N 8.302 2.946 7.813 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 28 GLU N . . rr_1arr 1
1 . 233 . 1 1 28 GLU O O 7.233 5.734 9.678 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 28 GLU O . . rr_1arr 1
1 . 234 . 1 1 28 GLU OE1 O 10.369 7.511 5.617 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 28 GLU OE1 . . rr_1arr 1
1 . 235 . 1 1 28 GLU OE2 O 11.937 6.908 7.063 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 28 GLU OE2 . . rr_1arr 1
1 . 236 . 1 1 29 ASN C C 4.093 4.770 9.044 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 ASN C . . rr_1arr 1
1 . 237 . 1 1 29 ASN CA C 4.921 5.462 7.944 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 ASN CA . . rr_1arr 1
1 . 238 . 1 1 29 ASN CB C 4.133 5.620 6.630 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 ASN CB . . rr_1arr 1
1 . 239 . 1 1 29 ASN CG C 4.825 6.130 5.387 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 ASN CG . . rr_1arr 1
1 . 240 . 1 1 29 ASN N N 6.275 4.896 7.800 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 ASN N . . rr_1arr 1
1 . 241 . 1 1 29 ASN ND2 N 5.599 7.167 5.543 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 ASN ND2 . . rr_1arr 1
1 . 242 . 1 1 29 ASN O O 3.170 5.395 9.580 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 ASN O . . rr_1arr 1
1 . 243 . 1 1 29 ASN OD1 O 4.536 5.721 4.271 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 29 ASN OD1 . . rr_1arr 1
1 . 244 . 1 1 30 GLY C C 2.637 1.798 9.847 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 GLY C . . rr_1arr 1
1 . 245 . 1 1 30 GLY CA C 3.765 2.690 10.383 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 GLY CA . . rr_1arr 1
1 . 246 . 1 1 30 GLY N N 4.398 3.497 9.323 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 GLY N . . rr_1arr 1
1 . 247 . 1 1 30 GLY O O 1.796 1.350 10.614 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 30 GLY O . . rr_1arr 1
1 . 248 . 1 1 31 ARG C C 2.306 -0.544 6.997 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 ARG C . . rr_1arr 1
1 . 249 . 1 1 31 ARG CA C 1.771 0.581 7.903 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 ARG CA . . rr_1arr 1
1 . 250 . 1 1 31 ARG CB C 0.826 1.455 7.044 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 ARG CB . . rr_1arr 1
1 . 251 . 1 1 31 ARG CD C 0.513 3.447 5.556 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 ARG CD . . rr_1arr 1
1 . 252 . 1 1 31 ARG CG C 1.541 2.560 6.255 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 ARG CG . . rr_1arr 1
1 . 253 . 1 1 31 ARG CZ C 0.602 5.952 5.560 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 ARG CZ . . rr_1arr 1
1 . 254 . 1 1 31 ARG N N 2.806 1.336 8.612 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 ARG N . . rr_1arr 1
1 . 255 . 1 1 31 ARG NE N 1.114 4.754 5.242 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 ARG NE . . rr_1arr 1
1 . 256 . 1 1 31 ARG NH1 N -0.601 6.079 6.105 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 ARG NH1 . . rr_1arr 1
1 . 257 . 1 1 31 ARG NH2 N 1.267 7.057 5.254 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 ARG NH2 . . rr_1arr 1
1 . 258 . 1 1 31 ARG O O 3.413 -0.440 6.477 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 31 ARG O . . rr_1arr 1
1 . 259 . 1 1 32 SER C C 1.855 -2.335 4.488 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 32 SER C . . rr_1arr 1
1 . 260 . 1 1 32 SER CA C 1.947 -2.712 5.992 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 32 SER CA . . rr_1arr 1
1 . 261 . 1 1 32 SER CB C 1.208 -4.024 6.269 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 32 SER CB . . rr_1arr 1
1 . 262 . 1 1 32 SER N N 1.491 -1.573 6.784 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 32 SER N . . rr_1arr 1
1 . 263 . 1 1 32 SER O O 0.911 -1.645 4.095 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 32 SER O . . rr_1arr 1
1 . 264 . 1 1 32 SER OG O -0.202 -3.790 6.151 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 32 SER OG . . rr_1arr 1
1 . 265 . 1 1 33 VAL C C 1.714 -2.278 1.416 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 VAL C . . rr_1arr 1
1 . 266 . 1 1 33 VAL CA C 2.998 -2.440 2.252 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 VAL CA . . rr_1arr 1
1 . 267 . 1 1 33 VAL CB C 3.992 -3.486 1.768 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 VAL CB . . rr_1arr 1
1 . 268 . 1 1 33 VAL CG1 C 4.195 -3.567 0.288 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 VAL CG1 . . rr_1arr 1
1 . 269 . 1 1 33 VAL CG2 C 5.343 -3.157 2.305 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 VAL CG2 . . rr_1arr 1
1 . 270 . 1 1 33 VAL N N 2.766 -2.844 3.649 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 VAL N . . rr_1arr 1
1 . 271 . 1 1 33 VAL O O 1.532 -1.245 0.771 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 33 VAL O . . rr_1arr 1
1 . 272 . 1 1 34 ASN C C -1.358 -2.026 1.190 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 34 ASN C . . rr_1arr 1
1 . 273 . 1 1 34 ASN CA C -0.512 -3.315 1.019 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 34 ASN CA . . rr_1arr 1
1 . 274 . 1 1 34 ASN CB C -1.219 -4.622 1.218 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 34 ASN CB . . rr_1arr 1
1 . 275 . 1 1 34 ASN CG C -2.586 -4.775 0.530 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 34 ASN CG . . rr_1arr 1
1 . 276 . 1 1 34 ASN N N 0.791 -3.207 1.684 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 34 ASN N . . rr_1arr 1
1 . 277 . 1 1 34 ASN ND2 N -3.602 -5.259 1.210 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 34 ASN ND2 . . rr_1arr 1
1 . 278 . 1 1 34 ASN O O -1.791 -1.451 0.184 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 34 ASN O . . rr_1arr 1
1 . 279 . 1 1 34 ASN OD1 O -2.648 -4.721 -0.688 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 34 ASN OD1 . . rr_1arr 1
1 . 280 . 1 1 35 SER C C -1.399 0.964 2.103 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 SER C . . rr_1arr 1
1 . 281 . 1 1 35 SER CA C -2.141 -0.232 2.719 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 SER CA . . rr_1arr 1
1 . 282 . 1 1 35 SER CB C -2.509 0.056 4.189 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 SER CB . . rr_1arr 1
1 . 283 . 1 1 35 SER N N -1.419 -1.508 2.429 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 SER N . . rr_1arr 1
1 . 284 . 1 1 35 SER O O -2.070 1.811 1.506 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 SER O . . rr_1arr 1
1 . 285 . 1 1 35 SER OG O -3.253 1.270 4.292 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 35 SER OG . . rr_1arr 1
1 . 286 . 1 1 36 GLU C C 0.515 2.285 0.035 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 36 GLU C . . rr_1arr 1
1 . 287 . 1 1 36 GLU CA C 0.719 2.099 1.566 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 36 GLU CA . . rr_1arr 1
1 . 288 . 1 1 36 GLU CB C 2.164 2.058 2.108 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 36 GLU CB . . rr_1arr 1
1 . 289 . 1 1 36 GLU CD C 3.730 3.720 0.924 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 36 GLU CD . . rr_1arr 1
1 . 290 . 1 1 36 GLU CG C 2.827 3.419 2.120 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 36 GLU CG . . rr_1arr 1
1 . 291 . 1 1 36 GLU N N -0.052 0.955 2.079 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 36 GLU N . . rr_1arr 1
1 . 292 . 1 1 36 GLU O O 0.177 3.381 -0.384 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 36 GLU O . . rr_1arr 1
1 . 293 . 1 1 36 GLU OE1 O 4.912 3.319 0.989 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 36 GLU OE1 . . rr_1arr 1
1 . 294 . 1 1 36 GLU OE2 O 3.212 4.312 -0.043 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 36 GLU OE2 . . rr_1arr 1
1 . 295 . 1 1 37 ILE C C -1.194 1.603 -2.358 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ILE C . . rr_1arr 1
1 . 296 . 1 1 37 ILE CA C 0.287 1.228 -2.229 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ILE CA . . rr_1arr 1
1 . 297 . 1 1 37 ILE CB C 0.678 -0.027 -2.961 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ILE CB . . rr_1arr 1
1 . 298 . 1 1 37 ILE CD1 C 2.353 -1.711 -2.878 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ILE CD1 . . rr_1arr 1
1 . 299 . 1 1 37 ILE CG1 C 2.182 -0.210 -2.818 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ILE CG1 . . rr_1arr 1
1 . 300 . 1 1 37 ILE CG2 C 0.161 -0.025 -4.391 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ILE CG2 . . rr_1arr 1
1 . 301 . 1 1 37 ILE N N 0.649 1.220 -0.787 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ILE N . . rr_1arr 1
1 . 302 . 1 1 37 ILE O O -1.506 2.518 -3.124 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 37 ILE O . . rr_1arr 1
1 . 303 . 1 1 38 TYR C C -3.863 2.598 -1.748 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 38 TYR C . . rr_1arr 1
1 . 304 . 1 1 38 TYR CA C -3.516 1.087 -1.765 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 38 TYR CA . . rr_1arr 1
1 . 305 . 1 1 38 TYR CB C -4.393 0.297 -0.768 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 38 TYR CB . . rr_1arr 1
1 . 306 . 1 1 38 TYR CD1 C -6.512 -0.113 -1.623 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 38 TYR CD1 . . rr_1arr 1
1 . 307 . 1 1 38 TYR CD2 C -6.369 1.662 0.107 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 38 TYR CD2 . . rr_1arr 1
1 . 308 . 1 1 38 TYR CE1 C -7.905 -0.151 -1.464 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 38 TYR CE1 . . rr_1arr 1
1 . 309 . 1 1 38 TYR CE2 C -7.773 1.615 0.265 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 38 TYR CE2 . . rr_1arr 1
1 . 310 . 1 1 38 TYR CG C -5.803 0.765 -0.810 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 38 TYR CG . . rr_1arr 1
1 . 311 . 1 1 38 TYR CZ C -8.513 0.695 -0.515 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 38 TYR CZ . . rr_1arr 1
1 . 312 . 1 1 38 TYR N N -2.078 0.840 -1.712 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 38 TYR N . . rr_1arr 1
1 . 313 . 1 1 38 TYR O O -4.364 3.145 -2.728 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 38 TYR O . . rr_1arr 1
1 . 314 . 1 1 38 TYR OH O -9.861 0.610 -0.355 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 38 TYR OH . . rr_1arr 1
1 . 315 . 1 1 39 GLN C C -3.074 5.640 -1.524 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 GLN C . . rr_1arr 1
1 . 316 . 1 1 39 GLN CA C -3.695 4.676 -0.479 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 GLN CA . . rr_1arr 1
1 . 317 . 1 1 39 GLN CB C -3.312 5.249 0.909 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 GLN CB . . rr_1arr 1
1 . 318 . 1 1 39 GLN CD C -1.450 5.248 2.690 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 GLN CD . . rr_1arr 1
1 . 319 . 1 1 39 GLN CG C -1.825 5.192 1.215 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 GLN CG . . rr_1arr 1
1 . 320 . 1 1 39 GLN N N -3.478 3.256 -0.647 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 GLN N . . rr_1arr 1
1 . 321 . 1 1 39 GLN NE2 N -0.619 6.207 3.017 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 GLN NE2 . . rr_1arr 1
1 . 322 . 1 1 39 GLN O O -3.734 6.564 -1.988 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 GLN O . . rr_1arr 1
1 . 323 . 1 1 39 GLN OE1 O -1.807 4.384 3.477 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 39 GLN OE1 . . rr_1arr 1
1 . 324 . 1 1 40 ARG C C -1.830 6.042 -4.291 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 ARG C . . rr_1arr 1
1 . 325 . 1 1 40 ARG CA C -1.084 6.079 -2.931 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 ARG CA . . rr_1arr 1
1 . 326 . 1 1 40 ARG CB C 0.421 5.932 -2.976 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 ARG CB . . rr_1arr 1
1 . 327 . 1 1 40 ARG CD C 0.711 7.652 -1.108 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 ARG CD . . rr_1arr 1
1 . 328 . 1 1 40 ARG CG C 1.054 6.259 -1.632 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 ARG CG . . rr_1arr 1
1 . 329 . 1 1 40 ARG CZ C 0.710 8.520 1.237 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 ARG CZ . . rr_1arr 1
1 . 330 . 1 1 40 ARG N N -1.856 5.292 -1.952 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 ARG N . . rr_1arr 1
1 . 331 . 1 1 40 ARG NE N 1.206 7.739 0.275 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 ARG NE . . rr_1arr 1
1 . 332 . 1 1 40 ARG NH1 N -0.331 9.311 1.041 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 ARG NH1 . . rr_1arr 1
1 . 333 . 1 1 40 ARG NH2 N 1.434 8.718 2.327 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 ARG NH2 . . rr_1arr 1
1 . 334 . 1 1 40 ARG O O -2.144 7.107 -4.836 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 40 ARG O . . rr_1arr 1
1 . 335 . 1 1 41 VAL C C -4.538 5.516 -5.762 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 VAL C . . rr_1arr 1
1 . 336 . 1 1 41 VAL CA C -3.209 4.722 -5.804 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 VAL CA . . rr_1arr 1
1 . 337 . 1 1 41 VAL CB C -3.316 3.231 -6.186 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 VAL CB . . rr_1arr 1
1 . 338 . 1 1 41 VAL CG1 C -4.049 3.140 -7.547 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 VAL CG1 . . rr_1arr 1
1 . 339 . 1 1 41 VAL CG2 C -1.926 2.689 -6.492 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 VAL CG2 . . rr_1arr 1
1 . 340 . 1 1 41 VAL N N -2.458 4.896 -4.565 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 VAL N . . rr_1arr 1
1 . 341 . 1 1 41 VAL O O -4.724 6.393 -6.589 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 41 VAL O . . rr_1arr 1
1 . 342 . 1 1 42 MET C C -6.415 7.711 -4.195 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 42 MET C . . rr_1arr 1
1 . 343 . 1 1 42 MET CA C -6.481 6.199 -4.456 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 42 MET CA . . rr_1arr 1
1 . 344 . 1 1 42 MET CB C -7.379 5.598 -3.358 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 42 MET CB . . rr_1arr 1
1 . 345 . 1 1 42 MET CE C -10.333 4.214 -3.254 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 42 MET CE . . rr_1arr 1
1 . 346 . 1 1 42 MET CG C -7.530 4.066 -3.402 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 42 MET CG . . rr_1arr 1
1 . 347 . 1 1 42 MET N N -5.218 5.482 -4.609 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 42 MET N . . rr_1arr 1
1 . 348 . 1 1 42 MET O O -7.367 8.455 -4.414 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 42 MET O . . rr_1arr 1
1 . 349 . 1 1 42 MET SD S -8.952 3.445 -2.427 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 42 MET SD . . rr_1arr 1
1 . 350 . 1 1 43 GLU C C -4.991 10.177 -5.160 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 43 GLU C . . rr_1arr 1
1 . 351 . 1 1 43 GLU CA C -4.765 9.543 -3.754 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 43 GLU CA . . rr_1arr 1
1 . 352 . 1 1 43 GLU CB C -3.369 9.649 -3.239 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 43 GLU CB . . rr_1arr 1
1 . 353 . 1 1 43 GLU CD C -1.133 10.850 -2.977 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 43 GLU CD . . rr_1arr 1
1 . 354 . 1 1 43 GLU CG C -2.575 10.946 -3.487 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 43 GLU CG . . rr_1arr 1
1 . 355 . 1 1 43 GLU N N -5.201 8.142 -3.894 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 43 GLU N . . rr_1arr 1
1 . 356 . 1 1 43 GLU O O -5.788 11.090 -5.314 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 43 GLU O . . rr_1arr 1
1 . 357 . 1 1 43 GLU OE1 O -0.963 10.794 -1.735 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 43 GLU OE1 . . rr_1arr 1
1 . 358 . 1 1 43 GLU OE2 O -0.218 10.838 -3.829 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 43 GLU OE2 . . rr_1arr 1
1 . 359 . 1 1 44 SER C C -6.096 9.759 -8.047 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 44 SER C . . rr_1arr 1
1 . 360 . 1 1 44 SER CA C -4.624 9.847 -7.581 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 44 SER CA . . rr_1arr 1
1 . 361 . 1 1 44 SER CB C -3.744 9.027 -8.490 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 44 SER CB . . rr_1arr 1
1 . 362 . 1 1 44 SER N N -4.424 9.504 -6.160 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 44 SER N . . rr_1arr 1
1 . 363 . 1 1 44 SER O O -6.539 10.624 -8.791 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 44 SER O . . rr_1arr 1
1 . 364 . 1 1 44 SER OG O -2.407 8.989 -7.972 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 44 SER OG . . rr_1arr 1
1 . 365 . 1 1 45 PHE C C -9.137 9.908 -7.307 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 45 PHE C . . rr_1arr 1
1 . 366 . 1 1 45 PHE CA C -8.277 8.638 -7.631 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 45 PHE CA . . rr_1arr 1
1 . 367 . 1 1 45 PHE CB C -8.937 7.393 -7.059 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 45 PHE CB . . rr_1arr 1
1 . 368 . 1 1 45 PHE CD1 C -7.177 5.944 -8.203 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 45 PHE CD1 . . rr_1arr 1
1 . 369 . 1 1 45 PHE CD2 C -9.365 5.017 -7.705 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 45 PHE CD2 . . rr_1arr 1
1 . 370 . 1 1 45 PHE CE1 C -6.931 4.907 -9.148 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 45 PHE CE1 . . rr_1arr 1
1 . 371 . 1 1 45 PHE CE2 C -9.124 3.964 -8.628 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 45 PHE CE2 . . rr_1arr 1
1 . 372 . 1 1 45 PHE CG C -8.405 6.031 -7.523 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 45 PHE CG . . rr_1arr 1
1 . 373 . 1 1 45 PHE CZ C -7.973 4.004 -9.438 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 45 PHE CZ . . rr_1arr 1
1 . 374 . 1 1 45 PHE N N -6.855 8.912 -7.353 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 45 PHE N . . rr_1arr 1
1 . 375 . 1 1 45 PHE O O -10.282 10.032 -7.733 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 45 PHE O . . rr_1arr 1
1 . 376 . 1 1 46 LYS C C -9.509 12.883 -7.431 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 46 LYS C . . rr_1arr 1
1 . 377 . 1 1 46 LYS CA C -9.227 12.104 -6.128 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 46 LYS CA . . rr_1arr 1
1 . 378 . 1 1 46 LYS CB C -8.450 12.926 -5.125 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 46 LYS CB . . rr_1arr 1
1 . 379 . 1 1 46 LYS CD C -7.578 13.098 -2.750 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 46 LYS CD . . rr_1arr 1
1 . 380 . 1 1 46 LYS CE C -7.939 12.885 -1.276 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 46 LYS CE . . rr_1arr 1
1 . 381 . 1 1 46 LYS CG C -8.496 12.333 -3.708 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 46 LYS CG . . rr_1arr 1
1 . 382 . 1 1 46 LYS N N -8.607 10.789 -6.445 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 46 LYS N . . rr_1arr 1
1 . 383 . 1 1 46 LYS NZ N -7.842 11.464 -0.889 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 46 LYS NZ . . rr_1arr 1
1 . 384 . 1 1 46 LYS O O -10.643 13.236 -7.726 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 46 LYS O . . rr_1arr 1
1 . 385 . 1 1 47 LYS C C -8.868 12.400 -10.549 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 47 LYS C . . rr_1arr 1
1 . 386 . 1 1 47 LYS CA C -8.522 13.591 -9.624 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 47 LYS CA . . rr_1arr 1
1 . 387 . 1 1 47 LYS CB C -7.168 14.185 -9.789 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 47 LYS CB . . rr_1arr 1
1 . 388 . 1 1 47 LYS CD C -5.351 15.730 -8.856 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 47 LYS CD . . rr_1arr 1
1 . 389 . 1 1 47 LYS CE C -4.916 16.382 -10.162 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 47 LYS CE . . rr_1arr 1
1 . 390 . 1 1 47 LYS CG C -6.848 15.352 -8.843 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 47 LYS CG . . rr_1arr 1
1 . 391 . 1 1 47 LYS N N -8.488 12.977 -8.285 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 47 LYS N . . rr_1arr 1
1 . 392 . 1 1 47 LYS NZ N -3.598 15.842 -10.539 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 47 LYS NZ . . rr_1arr 1
1 . 393 . 1 1 47 LYS O O -8.161 12.138 -11.522 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 47 LYS O . . rr_1arr 1
1 . 394 . 1 1 48 GLU C C -10.475 10.474 -12.438 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 48 GLU C . . rr_1arr 1
1 . 395 . 1 1 48 GLU CA C -10.663 10.641 -10.907 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 48 GLU CA . . rr_1arr 1
1 . 396 . 1 1 48 GLU CB C -12.074 10.366 -10.481 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 48 GLU CB . . rr_1arr 1
1 . 397 . 1 1 48 GLU CD C -14.127 8.874 -10.647 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 48 GLU CD . . rr_1arr 1
1 . 398 . 1 1 48 GLU CG C -12.600 8.970 -10.837 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 48 GLU CG . . rr_1arr 1
1 . 399 . 1 1 48 GLU N N -10.092 11.881 -10.369 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 48 GLU N . . rr_1arr 1
1 . 400 . 1 1 48 GLU O O -10.140 9.408 -12.960 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 48 GLU O . . rr_1arr 1
1 . 401 . 1 1 48 GLU OE1 O -14.586 8.982 -9.487 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 48 GLU OE1 . . rr_1arr 1
1 . 402 . 1 1 48 GLU OE2 O -14.804 8.706 -11.684 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 48 GLU OE2 . . rr_1arr 1
1 . 403 . 1 1 49 GLY C C -8.959 11.591 -14.962 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 49 GLY C . . rr_1arr 1
1 . 404 . 1 1 49 GLY CA C -10.395 11.874 -14.501 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 49 GLY CA . . rr_1arr 1
1 . 405 . 1 1 49 GLY N N -10.502 11.643 -13.043 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 49 GLY N . . rr_1arr 1
1 . 406 . 1 1 49 GLY O O -8.063 12.359 -14.629 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 49 GLY O . . rr_1arr 1
1 . 407 . 1 1 50 ARG C C -6.515 9.697 -14.681 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 50 ARG C . . rr_1arr 1
1 . 408 . 1 1 50 ARG CA C -7.449 9.847 -15.910 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 50 ARG CA . . rr_1arr 1
1 . 409 . 1 1 50 ARG CB C -6.801 10.683 -16.972 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 50 ARG CB . . rr_1arr 1
1 . 410 . 1 1 50 ARG CD C -7.065 9.483 -19.118 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 50 ARG CD . . rr_1arr 1
1 . 411 . 1 1 50 ARG CG C -7.553 10.723 -18.295 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 50 ARG CG . . rr_1arr 1
1 . 412 . 1 1 50 ARG CZ C -5.506 9.738 -21.091 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 50 ARG CZ . . rr_1arr 1
1 . 413 . 1 1 50 ARG N N -8.766 10.384 -15.481 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 50 ARG N . . rr_1arr 1
1 . 414 . 1 1 50 ARG NE N -5.833 9.893 -19.810 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 50 ARG NE . . rr_1arr 1
1 . 415 . 1 1 50 ARG NH1 N -6.281 9.087 -21.956 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 50 ARG NH1 . . rr_1arr 1
1 . 416 . 1 1 50 ARG NH2 N -4.346 10.204 -21.516 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 50 ARG NH2 . . rr_1arr 1
1 . 417 . 1 1 50 ARG O O -5.295 9.728 -14.778 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 50 ARG O . . rr_1arr 1
1 . 418 . 1 1 51 ILE C C -5.310 10.150 -11.960 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 51 ILE C . . rr_1arr 1
1 . 419 . 1 1 51 ILE CA C -6.646 9.423 -12.171 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 51 ILE CA . . rr_1arr 1
1 . 420 . 1 1 51 ILE CB C -6.638 8.102 -11.432 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 51 ILE CB . . rr_1arr 1
1 . 421 . 1 1 51 ILE CD1 C -4.746 6.381 -11.612 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 51 ILE CD1 . . rr_1arr 1
1 . 422 . 1 1 51 ILE CG1 C -6.018 6.968 -12.225 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 51 ILE CG1 . . rr_1arr 1
1 . 423 . 1 1 51 ILE CG2 C -8.009 7.600 -11.131 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 51 ILE CG2 . . rr_1arr 1
1 . 424 . 1 1 51 ILE N N -7.185 9.464 -13.558 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 51 ILE N . . rr_1arr 1
1 . 425 . 1 1 51 ILE O O -4.232 9.559 -11.911 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 51 ILE O . . rr_1arr 1
1 . 426 . 1 1 52 GLY C C -3.645 12.932 -12.963 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 52 GLY C . . rr_1arr 1
1 . 427 . 1 1 52 GLY CA C -4.305 12.391 -11.691 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 52 GLY CA . . rr_1arr 1
1 . 428 . 1 1 52 GLY N N -5.431 11.468 -11.917 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 52 GLY N . . rr_1arr 1
1 . 429 . 1 1 52 GLY O O -3.112 14.044 -12.981 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 52 GLY O . . rr_1arr 1
1 . 430 . 1 1 53 ALA C C -3.986 12.884 -16.441 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 53 ALA C . . rr_1arr 1
1 . 431 . 1 1 53 ALA CA C -3.033 12.475 -15.294 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 53 ALA CA . . rr_1arr 1
1 . 432 . 1 1 53 ALA CB C -2.060 11.338 -15.716 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 53 ALA CB . . rr_1arr 1
1 . 433 . 1 1 53 ALA N N -3.661 12.114 -14.014 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 53 ALA N . . rr_1arr 1
1 . 434 . 1 1 53 ALA O O -4.643 13.935 -16.242 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 53 ALA O . . rr_1arr 1
1 . 435 . 1 1 53 ALA OXT O -4.061 12.179 -17.476 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 53 ALA OXT . . rr_1arr 1
1 . 436 . 2 1 1 MET C C 21.264 -10.962 -11.448 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 MET C . . rr_1arr 1
1 . 437 . 2 1 1 MET CA C 20.117 -10.113 -10.851 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 MET CA . . rr_1arr 1
1 . 438 . 2 1 1 MET CB C 20.315 -9.824 -9.352 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 MET CB . . rr_1arr 1
1 . 439 . 2 1 1 MET CE C 20.440 -13.494 -7.352 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 MET CE . . rr_1arr 1
1 . 440 . 2 1 1 MET CG C 20.019 -10.980 -8.401 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 MET CG . . rr_1arr 1
1 . 441 . 2 1 1 MET N N 18.768 -10.635 -11.145 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 MET N . . rr_1arr 1
1 . 442 . 2 1 1 MET O O 22.228 -10.411 -11.990 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 MET O . . rr_1arr 1
1 . 443 . 2 1 1 MET SD S 21.272 -12.318 -8.402 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 MET SD . . rr_1arr 1
1 . 444 . 2 1 2 LYS C C 22.221 -12.929 -13.633 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 LYS C . . rr_1arr 1
1 . 445 . 2 1 2 LYS CA C 21.847 -13.265 -12.182 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 LYS CA . . rr_1arr 1
1 . 446 . 2 1 2 LYS CB C 21.231 -14.668 -11.998 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 LYS CB . . rr_1arr 1
1 . 447 . 2 1 2 LYS CD C 20.042 -15.573 -14.029 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 LYS CD . . rr_1arr 1
1 . 448 . 2 1 2 LYS CE C 18.720 -15.691 -14.787 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 LYS CE . . rr_1arr 1
1 . 449 . 2 1 2 LYS CG C 19.871 -14.900 -12.663 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 LYS CG . . rr_1arr 1
1 . 450 . 2 1 2 LYS N N 20.957 -12.240 -11.590 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 LYS N . . rr_1arr 1
1 . 451 . 2 1 2 LYS NZ N 18.276 -14.373 -15.263 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 LYS NZ . . rr_1arr 1
1 . 452 . 2 1 2 LYS O O 23.291 -13.303 -14.116 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 LYS O . . rr_1arr 1
1 . 453 . 2 1 3 GLY C C 20.649 -10.381 -15.645 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 GLY C . . rr_1arr 1
1 . 454 . 2 1 3 GLY CA C 21.415 -11.719 -15.656 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 GLY CA . . rr_1arr 1
1 . 455 . 2 1 3 GLY N N 21.255 -12.347 -14.329 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 GLY N . . rr_1arr 1
1 . 456 . 2 1 3 GLY O O 19.880 -10.101 -16.557 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 GLY O . . rr_1arr 1
1 . 457 . 2 1 4 MET C C 18.587 -8.474 -14.394 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 MET C . . rr_1arr 1
1 . 458 . 2 1 4 MET CA C 20.107 -8.363 -14.241 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 MET CA . . rr_1arr 1
1 . 459 . 2 1 4 MET CB C 20.770 -7.202 -14.974 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 MET CB . . rr_1arr 1
1 . 460 . 2 1 4 MET CE C 23.032 -5.869 -11.733 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 MET CE . . rr_1arr 1
1 . 461 . 2 1 4 MET CG C 21.502 -6.274 -13.992 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 MET CG . . rr_1arr 1
1 . 462 . 2 1 4 MET N N 20.846 -9.626 -14.562 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 MET N . . rr_1arr 1
1 . 463 . 2 1 4 MET O O 17.875 -7.498 -14.587 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 MET O . . rr_1arr 1
1 . 464 . 2 1 4 MET SD S 22.814 -7.095 -13.014 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 MET SD . . rr_1arr 1
1 . 465 . 2 1 5 SER C C 16.072 -9.717 -12.402 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 SER C . . rr_1arr 1
1 . 466 . 2 1 5 SER CA C 16.763 -10.035 -13.736 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 SER CA . . rr_1arr 1
1 . 467 . 2 1 5 SER CB C 16.785 -11.534 -14.029 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 SER CB . . rr_1arr 1
1 . 468 . 2 1 5 SER N N 18.151 -9.536 -13.729 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 SER N . . rr_1arr 1
1 . 469 . 2 1 5 SER O O 15.352 -10.532 -11.810 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 SER O . . rr_1arr 1
1 . 470 . 2 1 5 SER OG O 17.714 -12.212 -13.170 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 SER OG . . rr_1arr 1
1 . 471 . 2 1 6 LYS C C 14.198 -7.657 -10.621 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 LYS C . . rr_1arr 1
1 . 472 . 2 1 6 LYS CA C 15.719 -7.871 -10.766 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 LYS CA . . rr_1arr 1
1 . 473 . 2 1 6 LYS CB C 16.466 -6.567 -10.470 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 LYS CB . . rr_1arr 1
1 . 474 . 2 1 6 LYS CD C 18.717 -5.371 -10.318 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 LYS CD . . rr_1arr 1
1 . 475 . 2 1 6 LYS CE C 18.604 -4.465 -11.547 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 LYS CE . . rr_1arr 1
1 . 476 . 2 1 6 LYS CG C 18.000 -6.705 -10.493 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 LYS CG . . rr_1arr 1
1 . 477 . 2 1 6 LYS N N 16.148 -8.441 -12.064 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 LYS N . . rr_1arr 1
1 . 478 . 2 1 6 LYS NZ N 19.319 -3.212 -11.288 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 LYS NZ . . rr_1arr 1
1 . 479 . 2 1 6 LYS O O 13.743 -6.739 -9.959 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 LYS O . . rr_1arr 1
1 . 480 . 2 1 7 MET C C 11.250 -9.674 -10.279 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 MET C . . rr_1arr 1
1 . 481 . 2 1 7 MET CA C 11.978 -8.585 -11.105 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 MET CA . . rr_1arr 1
1 . 482 . 2 1 7 MET CB C 11.600 -8.579 -12.579 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 MET CB . . rr_1arr 1
1 . 483 . 2 1 7 MET CE C 10.271 -5.810 -13.953 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 MET CE . . rr_1arr 1
1 . 484 . 2 1 7 MET CG C 10.102 -8.367 -12.807 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 MET CG . . rr_1arr 1
1 . 485 . 2 1 7 MET N N 13.453 -8.658 -11.083 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 MET N . . rr_1arr 1
1 . 486 . 2 1 7 MET O O 11.146 -10.817 -10.722 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 MET O . . rr_1arr 1
1 . 487 . 2 1 7 MET SD S 9.546 -6.643 -12.564 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 MET SD . . rr_1arr 1
1 . 488 . 2 1 8 PRO C C 8.580 -9.854 -8.445 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 PRO C . . rr_1arr 1
1 . 489 . 2 1 8 PRO CA C 10.059 -10.170 -8.173 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 PRO CA . . rr_1arr 1
1 . 490 . 2 1 8 PRO CB C 10.444 -9.834 -6.729 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 PRO CB . . rr_1arr 1
1 . 491 . 2 1 8 PRO CD C 11.726 -8.413 -8.208 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 PRO CD . . rr_1arr 1
1 . 492 . 2 1 8 PRO CG C 11.149 -8.480 -6.802 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 PRO CG . . rr_1arr 1
1 . 493 . 2 1 8 PRO N N 10.930 -9.340 -9.024 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 PRO N . . rr_1arr 1
1 . 494 . 2 1 8 PRO O O 8.217 -8.704 -8.713 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 PRO O . . rr_1arr 1
1 . 495 . 2 1 9 GLN C C 5.694 -11.049 -6.660 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 9 GLN C . . rr_1arr 1
1 . 496 . 2 1 9 GLN CA C 6.326 -10.855 -8.047 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 9 GLN CA . . rr_1arr 1
1 . 497 . 2 1 9 GLN CB C 5.940 -11.923 -9.087 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 9 GLN CB . . rr_1arr 1
1 . 498 . 2 1 9 GLN CD C 5.923 -14.379 -9.965 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 9 GLN CD . . rr_1arr 1
1 . 499 . 2 1 9 GLN CG C 6.400 -13.375 -8.914 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 9 GLN CG . . rr_1arr 1
1 . 500 . 2 1 9 GLN N N 7.792 -10.754 -7.879 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 9 GLN N . . rr_1arr 1
1 . 501 . 2 1 9 GLN NE2 N 4.967 -14.054 -10.815 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 9 GLN NE2 . . rr_1arr 1
1 . 502 . 2 1 9 GLN O O 6.157 -11.859 -5.860 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 9 GLN O . . rr_1arr 1
1 . 503 . 2 1 9 GLN OE1 O 6.419 -15.501 -10.031 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 9 GLN OE1 . . rr_1arr 1
1 . 504 . 2 1 10 PHE C C 2.522 -9.929 -5.195 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 10 PHE C . . rr_1arr 1
1 . 505 . 2 1 10 PHE CA C 4.035 -10.114 -5.050 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 10 PHE CA . . rr_1arr 1
1 . 506 . 2 1 10 PHE CB C 4.679 -8.997 -4.200 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 10 PHE CB . . rr_1arr 1
1 . 507 . 2 1 10 PHE CD1 C 5.473 -7.117 -5.767 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 10 PHE CD1 . . rr_1arr 1
1 . 508 . 2 1 10 PHE CD2 C 3.474 -6.761 -4.368 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 10 PHE CD2 . . rr_1arr 1
1 . 509 . 2 1 10 PHE CE1 C 5.291 -5.863 -6.354 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 10 PHE CE1 . . rr_1arr 1
1 . 510 . 2 1 10 PHE CE2 C 3.328 -5.471 -4.956 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 10 PHE CE2 . . rr_1arr 1
1 . 511 . 2 1 10 PHE CG C 4.559 -7.577 -4.783 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 10 PHE CG . . rr_1arr 1
1 . 512 . 2 1 10 PHE CZ C 4.245 -5.027 -5.906 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 10 PHE CZ . . rr_1arr 1
1 . 513 . 2 1 10 PHE N N 4.711 -10.201 -6.359 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 10 PHE N . . rr_1arr 1
1 . 514 . 2 1 10 PHE O O 2.059 -9.257 -6.117 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 10 PHE O . . rr_1arr 1
1 . 515 . 2 1 11 ASN C C -0.292 -9.513 -3.173 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 11 ASN C . . rr_1arr 1
1 . 516 . 2 1 11 ASN CA C 0.332 -10.473 -4.195 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 11 ASN CA . . rr_1arr 1
1 . 517 . 2 1 11 ASN CB C -0.053 -11.891 -3.858 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 11 ASN CB . . rr_1arr 1
1 . 518 . 2 1 11 ASN CG C -1.557 -12.259 -3.929 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 11 ASN CG . . rr_1arr 1
1 . 519 . 2 1 11 ASN N N 1.798 -10.371 -4.170 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 11 ASN N . . rr_1arr 1
1 . 520 . 2 1 11 ASN ND2 N -1.960 -13.308 -4.617 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 11 ASN ND2 . . rr_1arr 1
1 . 521 . 2 1 11 ASN O O 0.196 -9.377 -2.053 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 11 ASN O . . rr_1arr 1
1 . 522 . 2 1 11 ASN OD1 O -2.399 -11.589 -3.349 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 11 ASN OD1 . . rr_1arr 1
1 . 523 . 2 1 12 LEU C C -3.620 -8.135 -2.948 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 12 LEU C . . rr_1arr 1
1 . 524 . 2 1 12 LEU CA C -2.114 -7.863 -2.831 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 12 LEU CA . . rr_1arr 1
1 . 525 . 2 1 12 LEU CB C -1.929 -6.427 -3.328 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 12 LEU CB . . rr_1arr 1
1 . 526 . 2 1 12 LEU CD1 C -0.499 -4.478 -3.798 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 12 LEU CD1 . . rr_1arr 1
1 . 527 . 2 1 12 LEU CD2 C 0.343 -6.223 -2.159 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 12 LEU CD2 . . rr_1arr 1
1 . 528 . 2 1 12 LEU CG C -0.462 -5.995 -3.434 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 12 LEU CG . . rr_1arr 1
1 . 529 . 2 1 12 LEU N N -1.326 -8.810 -3.641 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 12 LEU N . . rr_1arr 1
1 . 530 . 2 1 12 LEU O O -4.078 -8.533 -4.015 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 12 LEU O . . rr_1arr 1
1 . 531 . 2 1 13 ARG C C -6.437 -6.630 -1.486 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 13 ARG C . . rr_1arr 1
1 . 532 . 2 1 13 ARG CA C -5.830 -7.974 -1.882 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 13 ARG CA . . rr_1arr 1
1 . 533 . 2 1 13 ARG CB C -6.487 -9.155 -1.135 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 13 ARG CB . . rr_1arr 1
1 . 534 . 2 1 13 ARG CD C -4.860 -9.390 0.936 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 13 ARG CD . . rr_1arr 1
1 . 535 . 2 1 13 ARG CG C -6.289 -9.323 0.381 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 13 ARG CG . . rr_1arr 1
1 . 536 . 2 1 13 ARG CZ C -3.068 -11.093 1.322 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 13 ARG CZ . . rr_1arr 1
1 . 537 . 2 1 13 ARG N N -4.343 -7.935 -1.845 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 13 ARG N . . rr_1arr 1
1 . 538 . 2 1 13 ARG NE N -4.229 -10.723 0.806 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 13 ARG NE . . rr_1arr 1
1 . 539 . 2 1 13 ARG NH1 N -2.457 -10.415 2.285 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 13 ARG NH1 . . rr_1arr 1
1 . 540 . 2 1 13 ARG NH2 N -2.350 -12.007 0.682 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 13 ARG NH2 . . rr_1arr 1
1 . 541 . 2 1 13 ARG O O -6.151 -6.074 -0.423 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 13 ARG O . . rr_1arr 1
1 . 542 . 2 1 14 TRP C C -9.512 -5.190 -2.532 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 14 TRP C . . rr_1arr 1
1 . 543 . 2 1 14 TRP CA C -8.019 -4.904 -2.317 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 14 TRP CA . . rr_1arr 1
1 . 544 . 2 1 14 TRP CB C -7.486 -3.884 -3.340 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 14 TRP CB . . rr_1arr 1
1 . 545 . 2 1 14 TRP CD1 C -5.251 -3.621 -2.001 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 14 TRP CD1 . . rr_1arr 1
1 . 546 . 2 1 14 TRP CD2 C -5.396 -2.616 -3.911 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 14 TRP CD2 . . rr_1arr 1
1 . 547 . 2 1 14 TRP CE2 C -4.141 -2.361 -3.345 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 14 TRP CE2 . . rr_1arr 1
1 . 548 . 2 1 14 TRP CE3 C -5.813 -2.071 -5.125 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 14 TRP CE3 . . rr_1arr 1
1 . 549 . 2 1 14 TRP CG C -6.065 -3.421 -3.029 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 14 TRP CG . . rr_1arr 1
1 . 550 . 2 1 14 TRP CH2 C -3.574 -1.032 -5.245 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 14 TRP CH2 . . rr_1arr 1
1 . 551 . 2 1 14 TRP CZ2 C -3.226 -1.522 -3.998 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 14 TRP CZ2 . . rr_1arr 1
1 . 552 . 2 1 14 TRP CZ3 C -4.867 -1.261 -5.810 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 14 TRP CZ3 . . rr_1arr 1
1 . 553 . 2 1 14 TRP N N -7.285 -6.176 -2.403 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 14 TRP N . . rr_1arr 1
1 . 554 . 2 1 14 TRP NE1 N -4.083 -3.005 -2.202 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 14 TRP NE1 . . rr_1arr 1
1 . 555 . 2 1 14 TRP O O -9.852 -6.244 -3.099 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 14 TRP O . . rr_1arr 1
1 . 556 . 2 1 15 PRO C C -12.111 -4.472 -3.717 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 15 PRO C . . rr_1arr 1
1 . 557 . 2 1 15 PRO CA C -11.859 -4.546 -2.207 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 15 PRO CA . . rr_1arr 1
1 . 558 . 2 1 15 PRO CB C -12.538 -3.416 -1.431 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 15 PRO CB . . rr_1arr 1
1 . 559 . 2 1 15 PRO CD C -10.134 -3.316 -0.984 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 15 PRO CD . . rr_1arr 1
1 . 560 . 2 1 15 PRO CG C -11.504 -2.946 -0.405 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 15 PRO CG . . rr_1arr 1
1 . 561 . 2 1 15 PRO N N -10.419 -4.389 -1.950 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 15 PRO N . . rr_1arr 1
1 . 562 . 2 1 15 PRO O O -11.509 -3.675 -4.423 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 15 PRO O . . rr_1arr 1
1 . 563 . 2 1 16 ARG C C -13.537 -4.235 -6.405 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 16 ARG C . . rr_1arr 1
1 . 564 . 2 1 16 ARG CA C -13.340 -5.526 -5.607 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 16 ARG CA . . rr_1arr 1
1 . 565 . 2 1 16 ARG CB C -14.513 -6.461 -5.512 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 16 ARG CB . . rr_1arr 1
1 . 566 . 2 1 16 ARG CD C -15.914 -8.080 -7.003 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 16 ARG CD . . rr_1arr 1
1 . 567 . 2 1 16 ARG CG C -14.717 -7.120 -6.885 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 16 ARG CG . . rr_1arr 1
1 . 568 . 2 1 16 ARG CZ C -16.202 -10.429 -6.118 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 16 ARG CZ . . rr_1arr 1
1 . 569 . 2 1 16 ARG N N -13.037 -5.303 -4.187 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 16 ARG N . . rr_1arr 1
1 . 570 . 2 1 16 ARG NE N -15.943 -9.122 -5.965 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 16 ARG NE . . rr_1arr 1
1 . 571 . 2 1 16 ARG NH1 N -16.489 -10.969 -7.295 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 16 ARG NH1 . . rr_1arr 1
1 . 572 . 2 1 16 ARG NH2 N -16.403 -11.175 -5.033 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 16 ARG NH2 . . rr_1arr 1
1 . 573 . 2 1 16 ARG O O -12.725 -3.959 -7.272 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 16 ARG O . . rr_1arr 1
1 . 574 . 2 1 17 GLU C C -13.434 -1.206 -6.743 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 GLU C . . rr_1arr 1
1 . 575 . 2 1 17 GLU CA C -14.685 -2.031 -6.358 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 GLU CA . . rr_1arr 1
1 . 576 . 2 1 17 GLU CB C -15.602 -1.317 -5.366 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 GLU CB . . rr_1arr 1
1 . 577 . 2 1 17 GLU CD C -17.225 -2.870 -4.114 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 GLU CD . . rr_1arr 1
1 . 578 . 2 1 17 GLU CG C -16.995 -1.961 -5.321 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 GLU CG . . rr_1arr 1
1 . 579 . 2 1 17 GLU N N -14.312 -3.340 -5.810 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 GLU N . . rr_1arr 1
1 . 580 . 2 1 17 GLU O O -13.263 -0.864 -7.903 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 GLU O . . rr_1arr 1
1 . 581 . 2 1 17 GLU OE1 O -16.325 -3.687 -3.809 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 GLU OE1 . . rr_1arr 1
1 . 582 . 2 1 17 GLU OE2 O -18.288 -2.682 -3.490 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 GLU OE2 . . rr_1arr 1
1 . 583 . 2 1 18 VAL C C -10.372 -1.085 -7.103 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 18 VAL C . . rr_1arr 1
1 . 584 . 2 1 18 VAL CA C -11.188 -0.505 -5.936 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 18 VAL CA . . rr_1arr 1
1 . 585 . 2 1 18 VAL CB C -10.374 -0.650 -4.641 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 18 VAL CB . . rr_1arr 1
1 . 586 . 2 1 18 VAL CG1 C -9.012 0.024 -4.725 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 18 VAL CG1 . . rr_1arr 1
1 . 587 . 2 1 18 VAL CG2 C -11.089 -0.041 -3.446 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 18 VAL CG2 . . rr_1arr 1
1 . 588 . 2 1 18 VAL N N -12.512 -1.125 -5.784 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 18 VAL N . . rr_1arr 1
1 . 589 . 2 1 18 VAL O O -10.189 -0.386 -8.101 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 18 VAL O . . rr_1arr 1
1 . 590 . 2 1 19 LEU C C -9.809 -3.010 -9.414 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 19 LEU C . . rr_1arr 1
1 . 591 . 2 1 19 LEU CA C -9.151 -2.975 -8.013 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 19 LEU CA . . rr_1arr 1
1 . 592 . 2 1 19 LEU CB C -8.619 -4.384 -7.665 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 19 LEU CB . . rr_1arr 1
1 . 593 . 2 1 19 LEU CD1 C -9.912 -6.388 -8.474 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 19 LEU CD1 . . rr_1arr 1
1 . 594 . 2 1 19 LEU CD2 C -9.149 -6.236 -6.140 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 19 LEU CD2 . . rr_1arr 1
1 . 595 . 2 1 19 LEU CG C -9.719 -5.408 -7.313 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 19 LEU CG . . rr_1arr 1
1 . 596 . 2 1 19 LEU N N -10.051 -2.375 -7.023 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 19 LEU N . . rr_1arr 1
1 . 597 . 2 1 19 LEU O O -9.149 -2.824 -10.440 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 19 LEU O . . rr_1arr 1
1 . 598 . 2 1 20 ASP C C -11.905 -1.716 -11.244 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 20 ASP C . . rr_1arr 1
1 . 599 . 2 1 20 ASP CA C -12.017 -3.088 -10.564 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 20 ASP CA . . rr_1arr 1
1 . 600 . 2 1 20 ASP CB C -13.480 -3.294 -10.206 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 20 ASP CB . . rr_1arr 1
1 . 601 . 2 1 20 ASP CG C -13.892 -4.701 -9.741 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 20 ASP CG . . rr_1arr 1
1 . 602 . 2 1 20 ASP N N -11.123 -3.232 -9.402 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 20 ASP N . . rr_1arr 1
1 . 603 . 2 1 20 ASP O O -11.632 -1.637 -12.434 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 20 ASP O . . rr_1arr 1
1 . 604 . 2 1 20 ASP OD1 O -13.106 -5.653 -9.970 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 20 ASP OD1 . . rr_1arr 1
1 . 605 . 2 1 20 ASP OD2 O -14.961 -4.775 -9.100 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 20 ASP OD2 . . rr_1arr 1
1 . 606 . 2 1 21 LEU C C -10.588 1.044 -11.410 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 21 LEU C . . rr_1arr 1
1 . 607 . 2 1 21 LEU CA C -12.020 0.737 -10.932 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 21 LEU CA . . rr_1arr 1
1 . 608 . 2 1 21 LEU CB C -12.510 1.637 -9.833 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 21 LEU CB . . rr_1arr 1
1 . 609 . 2 1 21 LEU CD1 C -14.158 3.081 -11.171 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 21 LEU CD1 . . rr_1arr 1
1 . 610 . 2 1 21 LEU CD2 C -12.790 3.975 -9.260 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 21 LEU CD2 . . rr_1arr 1
1 . 611 . 2 1 21 LEU CG C -12.844 3.011 -10.457 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 21 LEU CG . . rr_1arr 1
1 . 612 . 2 1 21 LEU N N -12.102 -0.648 -10.470 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 21 LEU N . . rr_1arr 1
1 . 613 . 2 1 21 LEU O O -10.389 1.675 -12.437 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 21 LEU O . . rr_1arr 1
1 . 614 . 2 1 22 VAL C C -7.984 0.002 -12.530 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 22 VAL C . . rr_1arr 1
1 . 615 . 2 1 22 VAL CA C -8.202 0.538 -11.099 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 22 VAL CA . . rr_1arr 1
1 . 616 . 2 1 22 VAL CB C -7.320 -0.092 -10.009 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 22 VAL CB . . rr_1arr 1
1 . 617 . 2 1 22 VAL CG1 C -5.876 -0.316 -10.478 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 22 VAL CG1 . . rr_1arr 1
1 . 618 . 2 1 22 VAL CG2 C -7.366 0.780 -8.769 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 22 VAL CG2 . . rr_1arr 1
1 . 619 . 2 1 22 VAL N N -9.601 0.481 -10.704 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 22 VAL N . . rr_1arr 1
1 . 620 . 2 1 22 VAL O O -7.636 0.797 -13.390 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 22 VAL O . . rr_1arr 1
1 . 621 . 2 1 23 ARG C C -9.160 -0.888 -15.212 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 23 ARG C . . rr_1arr 1
1 . 622 . 2 1 23 ARG CA C -8.557 -1.793 -14.126 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 23 ARG CA . . rr_1arr 1
1 . 623 . 2 1 23 ARG CB C -9.283 -3.142 -14.117 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 23 ARG CB . . rr_1arr 1
1 . 624 . 2 1 23 ARG CD C -9.391 -5.393 -12.979 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 23 ARG CD . . rr_1arr 1
1 . 625 . 2 1 23 ARG CG C -8.528 -4.163 -13.270 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 23 ARG CG . . rr_1arr 1
1 . 626 . 2 1 23 ARG CZ C -8.050 -7.362 -12.172 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 23 ARG CZ . . rr_1arr 1
1 . 627 . 2 1 23 ARG N N -8.556 -1.170 -12.793 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 23 ARG N . . rr_1arr 1
1 . 628 . 2 1 23 ARG NE N -8.706 -6.218 -11.966 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 23 ARG NE . . rr_1arr 1
1 . 629 . 2 1 23 ARG NH1 N -7.915 -7.896 -13.379 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 23 ARG NH1 . . rr_1arr 1
1 . 630 . 2 1 23 ARG NH2 N -7.473 -7.986 -11.151 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 23 ARG NH2 . . rr_1arr 1
1 . 631 . 2 1 23 ARG O O -8.435 -0.450 -16.105 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 23 ARG O . . rr_1arr 1
1 . 632 . 2 1 24 LYS C C -10.278 1.864 -16.089 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 24 LYS C . . rr_1arr 1
1 . 633 . 2 1 24 LYS CA C -11.087 0.608 -15.696 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 24 LYS CA . . rr_1arr 1
1 . 634 . 2 1 24 LYS CB C -12.337 1.063 -14.952 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 24 LYS CB . . rr_1arr 1
1 . 635 . 2 1 24 LYS CD C -14.578 0.505 -14.037 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 24 LYS CD . . rr_1arr 1
1 . 636 . 2 1 24 LYS CE C -15.976 0.038 -14.437 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 24 LYS CE . . rr_1arr 1
1 . 637 . 2 1 24 LYS CG C -13.493 0.072 -15.030 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 24 LYS CG . . rr_1arr 1
1 . 638 . 2 1 24 LYS N N -10.308 -0.304 -14.852 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 24 LYS N . . rr_1arr 1
1 . 639 . 2 1 24 LYS NZ N -16.473 0.875 -15.541 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 24 LYS NZ . . rr_1arr 1
1 . 640 . 2 1 24 LYS O O -9.960 2.071 -17.262 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 24 LYS O . . rr_1arr 1
1 . 641 . 2 1 25 VAL C C -7.649 3.566 -15.842 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 25 VAL C . . rr_1arr 1
1 . 642 . 2 1 25 VAL CA C -9.012 3.775 -15.167 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 25 VAL CA . . rr_1arr 1
1 . 643 . 2 1 25 VAL CB C -8.887 4.503 -13.824 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 25 VAL CB . . rr_1arr 1
1 . 644 . 2 1 25 VAL CG1 C -8.606 5.952 -14.270 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 25 VAL CG1 . . rr_1arr 1
1 . 645 . 2 1 25 VAL CG2 C -10.183 4.643 -13.048 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 25 VAL CG2 . . rr_1arr 1
1 . 646 . 2 1 25 VAL N N -9.724 2.488 -15.053 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 25 VAL N . . rr_1arr 1
1 . 647 . 2 1 25 VAL O O -7.301 4.268 -16.780 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 25 VAL O . . rr_1arr 1
1 . 648 . 2 1 26 ALA C C -5.746 1.842 -17.518 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 26 ALA C . . rr_1arr 1
1 . 649 . 2 1 26 ALA CA C -5.682 2.074 -15.986 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 26 ALA CA . . rr_1arr 1
1 . 650 . 2 1 26 ALA CB C -5.168 0.824 -15.297 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 26 ALA CB . . rr_1arr 1
1 . 651 . 2 1 26 ALA N N -6.950 2.532 -15.397 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 26 ALA N . . rr_1arr 1
1 . 652 . 2 1 26 ALA O O -4.879 2.278 -18.269 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 26 ALA O . . rr_1arr 1
1 . 653 . 2 1 27 GLU C C -7.460 2.409 -20.108 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 27 GLU C . . rr_1arr 1
1 . 654 . 2 1 27 GLU CA C -7.196 1.067 -19.396 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 27 GLU CA . . rr_1arr 1
1 . 655 . 2 1 27 GLU CB C -8.407 0.194 -19.406 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 27 GLU CB . . rr_1arr 1
1 . 656 . 2 1 27 GLU CD C -9.267 -2.189 -18.964 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 27 GLU CD . . rr_1arr 1
1 . 657 . 2 1 27 GLU CG C -8.052 -1.263 -19.002 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 27 GLU CG . . rr_1arr 1
1 . 658 . 2 1 27 GLU N N -6.897 1.330 -17.982 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 27 GLU N . . rr_1arr 1
1 . 659 . 2 1 27 GLU O O -6.896 2.687 -21.159 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 27 GLU O . . rr_1arr 1
1 . 660 . 2 1 27 GLU OE1 O -9.557 -2.785 -20.032 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 27 GLU OE1 . . rr_1arr 1
1 . 661 . 2 1 27 GLU OE2 O -9.825 -2.370 -17.865 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 27 GLU OE2 . . rr_1arr 1
1 . 662 . 2 1 28 GLU C C -7.243 5.458 -20.007 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 28 GLU C . . rr_1arr 1
1 . 663 . 2 1 28 GLU CA C -8.535 4.631 -19.769 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 28 GLU CA . . rr_1arr 1
1 . 664 . 2 1 28 GLU CB C -9.449 5.258 -18.733 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 28 GLU CB . . rr_1arr 1
1 . 665 . 2 1 28 GLU CD C -10.673 7.293 -17.886 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 28 GLU CD . . rr_1arr 1
1 . 666 . 2 1 28 GLU CG C -9.841 6.704 -19.029 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 28 GLU CG . . rr_1arr 1
1 . 667 . 2 1 28 GLU N N -8.199 3.245 -19.387 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 28 GLU N . . rr_1arr 1
1 . 668 . 2 1 28 GLU O O -7.159 6.205 -20.984 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 28 GLU O . . rr_1arr 1
1 . 669 . 2 1 28 GLU OE1 O -11.843 6.892 -17.758 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 28 GLU OE1 . . rr_1arr 1
1 . 670 . 2 1 28 GLU OE2 O -10.110 8.132 -17.146 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 28 GLU OE2 . . rr_1arr 1
1 . 671 . 2 1 29 ASN C C -4.002 5.294 -20.169 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 29 ASN C . . rr_1arr 1
1 . 672 . 2 1 29 ASN CA C -4.940 5.871 -19.078 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 29 ASN CA . . rr_1arr 1
1 . 673 . 2 1 29 ASN CB C -4.346 5.639 -17.686 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 29 ASN CB . . rr_1arr 1
1 . 674 . 2 1 29 ASN CG C -4.887 6.536 -16.584 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 29 ASN CG . . rr_1arr 1
1 . 675 . 2 1 29 ASN N N -6.287 5.272 -19.106 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 29 ASN N . . rr_1arr 1
1 . 676 . 2 1 29 ASN ND2 N -4.247 7.668 -16.479 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 29 ASN ND2 . . rr_1arr 1
1 . 677 . 2 1 29 ASN O O -2.951 5.866 -20.450 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 29 ASN O . . rr_1arr 1
1 . 678 . 2 1 29 ASN OD1 O -5.590 6.128 -15.673 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 29 ASN OD1 . . rr_1arr 1
1 . 679 . 2 1 30 GLY C C -2.453 2.587 -21.263 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 30 GLY C . . rr_1arr 1
1 . 680 . 2 1 30 GLY CA C -3.675 3.387 -21.749 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 30 GLY CA . . rr_1arr 1
1 . 681 . 2 1 30 GLY N N -4.387 4.147 -20.718 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 30 GLY N . . rr_1arr 1
1 . 682 . 2 1 30 GLY O O -1.656 2.110 -22.061 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 30 GLY O . . rr_1arr 1
1 . 683 . 2 1 31 ARG C C -1.912 0.367 -18.379 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 31 ARG C . . rr_1arr 1
1 . 684 . 2 1 31 ARG CA C -1.431 1.467 -19.318 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 31 ARG CA . . rr_1arr 1
1 . 685 . 2 1 31 ARG CB C -0.391 2.367 -18.590 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 31 ARG CB . . rr_1arr 1
1 . 686 . 2 1 31 ARG CD C 0.135 4.297 -17.111 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 31 ARG CD . . rr_1arr 1
1 . 687 . 2 1 31 ARG CG C -0.989 3.519 -17.787 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 31 ARG CG . . rr_1arr 1
1 . 688 . 2 1 31 ARG CZ C -0.637 6.685 -17.105 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 31 ARG CZ . . rr_1arr 1
1 . 689 . 2 1 31 ARG N N -2.503 2.212 -19.981 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 31 ARG N . . rr_1arr 1
1 . 690 . 2 1 31 ARG NE N -0.365 5.533 -16.492 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 31 ARG NE . . rr_1arr 1
1 . 691 . 2 1 31 ARG NH1 N -0.481 6.837 -18.413 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 31 ARG NH1 . . rr_1arr 1
1 . 692 . 2 1 31 ARG NH2 N -1.052 7.725 -16.406 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 31 ARG NH2 . . rr_1arr 1
1 . 693 . 2 1 31 ARG O O -2.663 0.583 -17.424 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 31 ARG O . . rr_1arr 1
1 . 694 . 2 1 32 SER C C -1.523 -2.116 -16.584 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 32 SER C . . rr_1arr 1
1 . 695 . 2 1 32 SER CA C -1.881 -2.054 -18.074 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 32 SER CA . . rr_1arr 1
1 . 696 . 2 1 32 SER CB C -1.400 -3.347 -18.759 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 32 SER CB . . rr_1arr 1
1 . 697 . 2 1 32 SER N N -1.446 -0.828 -18.723 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 32 SER N . . rr_1arr 1
1 . 698 . 2 1 32 SER O O -0.355 -1.977 -16.225 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 32 SER O . . rr_1arr 1
1 . 699 . 2 1 32 SER OG O 0.007 -3.268 -18.982 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 32 SER OG . . rr_1arr 1
1 . 700 . 2 1 33 VAL C C -1.314 -2.063 -13.530 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 33 VAL C . . rr_1arr 1
1 . 701 . 2 1 33 VAL CA C -2.639 -2.223 -14.303 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 33 VAL CA . . rr_1arr 1
1 . 702 . 2 1 33 VAL CB C -3.474 -3.446 -13.919 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 33 VAL CB . . rr_1arr 1
1 . 703 . 2 1 33 VAL CG1 C -3.638 -3.708 -12.443 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 33 VAL CG1 . . rr_1arr 1
1 . 704 . 2 1 33 VAL CG2 C -4.902 -3.228 -14.414 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 33 VAL CG2 . . rr_1arr 1
1 . 705 . 2 1 33 VAL N N -2.582 -2.159 -15.772 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 33 VAL N . . rr_1arr 1
1 . 706 . 2 1 33 VAL O O -1.099 -1.033 -12.893 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 33 VAL O . . rr_1arr 1
1 . 707 . 2 1 34 ASN C C 1.752 -1.793 -13.291 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 34 ASN C . . rr_1arr 1
1 . 708 . 2 1 34 ASN CA C 0.915 -3.033 -13.047 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 34 ASN CA . . rr_1arr 1
1 . 709 . 2 1 34 ASN CB C 1.579 -4.371 -13.406 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 34 ASN CB . . rr_1arr 1
1 . 710 . 2 1 34 ASN CG C 2.938 -4.629 -12.750 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 34 ASN CG . . rr_1arr 1
1 . 711 . 2 1 34 ASN N N -0.437 -3.055 -13.650 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 34 ASN N . . rr_1arr 1
1 . 712 . 2 1 34 ASN ND2 N 4.009 -4.602 -13.517 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 34 ASN ND2 . . rr_1arr 1
1 . 713 . 2 1 34 ASN O O 2.160 -1.163 -12.305 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 34 ASN O . . rr_1arr 1
1 . 714 . 2 1 34 ASN OD1 O 3.036 -4.928 -11.573 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 34 ASN OD1 . . rr_1arr 1
1 . 715 . 2 1 35 SER C C 1.688 1.187 -14.273 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 35 SER C . . rr_1arr 1
1 . 716 . 2 1 35 SER CA C 2.375 -0.038 -14.911 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 35 SER CA . . rr_1arr 1
1 . 717 . 2 1 35 SER CB C 2.589 0.160 -16.432 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 35 SER CB . . rr_1arr 1
1 . 718 . 2 1 35 SER N N 1.718 -1.307 -14.529 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 35 SER N . . rr_1arr 1
1 . 719 . 2 1 35 SER O O 2.370 1.950 -13.589 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 35 SER O . . rr_1arr 1
1 . 720 . 2 1 35 SER OG O 3.175 1.438 -16.672 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 35 SER OG . . rr_1arr 1
1 . 721 . 2 1 36 GLU C C -0.131 2.536 -12.175 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 36 GLU C . . rr_1arr 1
1 . 722 . 2 1 36 GLU CA C -0.404 2.347 -13.698 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 36 GLU CA . . rr_1arr 1
1 . 723 . 2 1 36 GLU CB C -1.871 2.392 -14.153 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 36 GLU CB . . rr_1arr 1
1 . 724 . 2 1 36 GLU CD C -3.498 3.319 -12.416 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 36 GLU CD . . rr_1arr 1
1 . 725 . 2 1 36 GLU CG C -2.642 3.601 -13.655 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 36 GLU CG . . rr_1arr 1
1 . 726 . 2 1 36 GLU N N 0.351 1.206 -14.239 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 36 GLU N . . rr_1arr 1
1 . 727 . 2 1 36 GLU O O 0.433 3.555 -11.778 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 36 GLU O . . rr_1arr 1
1 . 728 . 2 1 36 GLU OE1 O -2.945 3.403 -11.300 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 36 GLU OE1 . . rr_1arr 1
1 . 729 . 2 1 36 GLU OE2 O -4.685 2.968 -12.623 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 36 GLU OE2 . . rr_1arr 1
1 . 730 . 2 1 37 ILE C C 1.492 1.809 -9.664 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 37 ILE C . . rr_1arr 1
1 . 731 . 2 1 37 ILE CA C 0.008 1.454 -9.928 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 37 ILE CA . . rr_1arr 1
1 . 732 . 2 1 37 ILE CB C -0.397 0.095 -9.398 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 37 ILE CB . . rr_1arr 1
1 . 733 . 2 1 37 ILE CD1 C -2.431 -1.461 -9.256 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 37 ILE CD1 . . rr_1arr 1
1 . 734 . 2 1 37 ILE CG1 C -1.901 -0.094 -9.659 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 37 ILE CG1 . . rr_1arr 1
1 . 735 . 2 1 37 ILE CG2 C -0.131 -0.115 -7.898 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 37 ILE CG2 . . rr_1arr 1
1 . 736 . 2 1 37 ILE N N -0.261 1.467 -11.379 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 37 ILE N . . rr_1arr 1
1 . 737 . 2 1 37 ILE O O 1.772 2.681 -8.842 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 37 ILE O . . rr_1arr 1
1 . 738 . 2 1 38 TYR C C 4.150 2.927 -10.427 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 38 TYR C . . rr_1arr 1
1 . 739 . 2 1 38 TYR CA C 3.850 1.402 -10.420 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 38 TYR CA . . rr_1arr 1
1 . 740 . 2 1 38 TYR CB C 4.566 0.781 -11.633 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 38 TYR CB . . rr_1arr 1
1 . 741 . 2 1 38 TYR CD1 C 6.675 0.170 -10.485 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 38 TYR CD1 . . rr_1arr 1
1 . 742 . 2 1 38 TYR CD2 C 6.746 1.663 -12.472 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 38 TYR CD2 . . rr_1arr 1
1 . 743 . 2 1 38 TYR CE1 C 8.086 0.065 -10.548 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 38 TYR CE1 . . rr_1arr 1
1 . 744 . 2 1 38 TYR CE2 C 8.154 1.608 -12.471 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 38 TYR CE2 . . rr_1arr 1
1 . 745 . 2 1 38 TYR CG C 6.050 0.928 -11.481 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 38 TYR CG . . rr_1arr 1
1 . 746 . 2 1 38 TYR CZ C 8.809 0.800 -11.515 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 38 TYR CZ . . rr_1arr 1
1 . 747 . 2 1 38 TYR N N 2.387 1.214 -10.472 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 38 TYR N . . rr_1arr 1
1 . 748 . 2 1 38 TYR O O 4.727 3.474 -9.489 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 38 TYR O . . rr_1arr 1
1 . 749 . 2 1 38 TYR OH O 10.160 0.762 -11.525 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 38 TYR OH . . rr_1arr 1
1 . 750 . 2 1 39 GLN C C 3.234 6.013 -10.777 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 39 GLN C . . rr_1arr 1
1 . 751 . 2 1 39 GLN CA C 3.900 5.008 -11.706 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 39 GLN CA . . rr_1arr 1
1 . 752 . 2 1 39 GLN CB C 3.739 5.407 -13.201 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 39 GLN CB . . rr_1arr 1
1 . 753 . 2 1 39 GLN CD C 1.212 6.065 -13.523 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 39 GLN CD . . rr_1arr 1
1 . 754 . 2 1 39 GLN CG C 2.407 5.185 -13.915 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 39 GLN CG . . rr_1arr 1
1 . 755 . 2 1 39 GLN N N 3.641 3.590 -11.465 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 39 GLN N . . rr_1arr 1
1 . 756 . 2 1 39 GLN NE2 N 1.416 7.362 -13.355 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 39 GLN NE2 . . rr_1arr 1
1 . 757 . 2 1 39 GLN O O 3.832 7.022 -10.416 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 39 GLN O . . rr_1arr 1
1 . 758 . 2 1 39 GLN OE1 O 0.064 5.649 -13.563 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 39 GLN OE1 . . rr_1arr 1
1 . 759 . 2 1 40 ARG C C 2.113 6.254 -7.866 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 40 ARG C . . rr_1arr 1
1 . 760 . 2 1 40 ARG CA C 1.340 6.276 -9.198 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 40 ARG CA . . rr_1arr 1
1 . 761 . 2 1 40 ARG CB C -0.063 5.703 -9.165 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 40 ARG CB . . rr_1arr 1
1 . 762 . 2 1 40 ARG CD C -0.909 7.683 -10.565 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 40 ARG CD . . rr_1arr 1
1 . 763 . 2 1 40 ARG CG C -0.946 6.182 -10.315 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 40 ARG CG . . rr_1arr 1
1 . 764 . 2 1 40 ARG CZ C -1.306 8.731 -12.818 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 40 ARG CZ . . rr_1arr 1
1 . 765 . 2 1 40 ARG N N 2.086 5.589 -10.256 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 40 ARG N . . rr_1arr 1
1 . 766 . 2 1 40 ARG NE N -1.646 7.925 -11.813 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 40 ARG NE . . rr_1arr 1
1 . 767 . 2 1 40 ARG NH1 N -0.261 9.553 -12.760 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 40 ARG NH1 . . rr_1arr 1
1 . 768 . 2 1 40 ARG NH2 N -2.057 8.720 -13.908 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 40 ARG NH2 . . rr_1arr 1
1 . 769 . 2 1 40 ARG O O 2.427 7.318 -7.324 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 40 ARG O . . rr_1arr 1
1 . 770 . 2 1 41 VAL C C 4.819 5.696 -6.499 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 41 VAL C . . rr_1arr 1
1 . 771 . 2 1 41 VAL CA C 3.509 4.893 -6.328 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 41 VAL CA . . rr_1arr 1
1 . 772 . 2 1 41 VAL CB C 3.734 3.374 -6.073 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 41 VAL CB . . rr_1arr 1
1 . 773 . 2 1 41 VAL CG1 C 4.827 3.159 -5.008 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 41 VAL CG1 . . rr_1arr 1
1 . 774 . 2 1 41 VAL CG2 C 2.450 2.697 -5.612 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 41 VAL CG2 . . rr_1arr 1
1 . 775 . 2 1 41 VAL N N 2.586 5.074 -7.468 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 41 VAL N . . rr_1arr 1
1 . 776 . 2 1 41 VAL O O 5.265 6.346 -5.552 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 41 VAL O . . rr_1arr 1
1 . 777 . 2 1 42 MET C C 6.449 7.981 -7.920 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 42 MET C . . rr_1arr 1
1 . 778 . 2 1 42 MET CA C 6.659 6.438 -7.939 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 42 MET CA . . rr_1arr 1
1 . 779 . 2 1 42 MET CB C 7.400 6.078 -9.229 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 42 MET CB . . rr_1arr 1
1 . 780 . 2 1 42 MET CE C 10.504 5.020 -9.601 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 42 MET CE . . rr_1arr 1
1 . 781 . 2 1 42 MET CG C 7.753 4.583 -9.278 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 42 MET CG . . rr_1arr 1
1 . 782 . 2 1 42 MET N N 5.410 5.707 -7.700 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 42 MET N . . rr_1arr 1
1 . 783 . 2 1 42 MET O O 7.339 8.744 -7.546 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 42 MET O . . rr_1arr 1
1 . 784 . 2 1 42 MET SD S 9.156 4.141 -10.362 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 42 MET SD . . rr_1arr 1
1 . 785 . 2 1 43 GLU C C 4.785 10.228 -6.802 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 43 GLU C . . rr_1arr 1
1 . 786 . 2 1 43 GLU CA C 4.768 9.782 -8.286 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 43 GLU CA . . rr_1arr 1
1 . 787 . 2 1 43 GLU CB C 3.350 9.894 -8.877 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 43 GLU CB . . rr_1arr 1
1 . 788 . 2 1 43 GLU CD C 1.183 11.210 -9.058 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 43 GLU CD . . rr_1arr 1
1 . 789 . 2 1 43 GLU CG C 2.655 11.240 -8.645 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 43 GLU CG . . rr_1arr 1
1 . 790 . 2 1 43 GLU N N 5.282 8.415 -8.416 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 43 GLU N . . rr_1arr 1
1 . 791 . 2 1 43 GLU O O 5.398 11.241 -6.470 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 43 GLU O . . rr_1arr 1
1 . 792 . 2 1 43 GLU OE1 O 0.910 10.862 -10.232 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 43 GLU OE1 . . rr_1arr 1
1 . 793 . 2 1 43 GLU OE2 O 0.363 11.518 -8.177 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 43 GLU OE2 . . rr_1arr 1
1 . 794 . 2 1 44 SER C C 5.643 9.639 -3.949 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 44 SER C . . rr_1arr 1
1 . 795 . 2 1 44 SER CA C 4.196 9.590 -4.478 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 44 SER CA . . rr_1arr 1
1 . 796 . 2 1 44 SER CB C 3.409 8.453 -3.856 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 44 SER CB . . rr_1arr 1
1 . 797 . 2 1 44 SER N N 4.161 9.424 -5.945 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 44 SER N . . rr_1arr 1
1 . 798 . 2 1 44 SER O O 6.008 10.540 -3.192 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 44 SER O . . rr_1arr 1
1 . 799 . 2 1 44 SER OG O 2.056 8.489 -4.326 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 44 SER OG . . rr_1arr 1
1 . 800 . 2 1 45 PHE C C 8.750 9.949 -4.454 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 45 PHE C . . rr_1arr 1
1 . 801 . 2 1 45 PHE CA C 7.933 8.694 -4.144 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 45 PHE CA . . rr_1arr 1
1 . 802 . 2 1 45 PHE CB C 8.670 7.471 -4.705 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 45 PHE CB . . rr_1arr 1
1 . 803 . 2 1 45 PHE CD1 C 7.690 6.114 -2.791 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 45 PHE CD1 . . rr_1arr 1
1 . 804 . 2 1 45 PHE CD2 C 8.343 4.944 -4.837 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 45 PHE CD2 . . rr_1arr 1
1 . 805 . 2 1 45 PHE CE1 C 7.418 4.883 -2.142 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 45 PHE CE1 . . rr_1arr 1
1 . 806 . 2 1 45 PHE CE2 C 8.025 3.727 -4.216 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 45 PHE CE2 . . rr_1arr 1
1 . 807 . 2 1 45 PHE CG C 8.199 6.141 -4.107 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 45 PHE CG . . rr_1arr 1
1 . 808 . 2 1 45 PHE CZ C 7.631 3.700 -2.845 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 45 PHE CZ . . rr_1arr 1
1 . 809 . 2 1 45 PHE N N 6.493 8.760 -4.486 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 45 PHE N . . rr_1arr 1
1 . 810 . 2 1 45 PHE O O 9.837 10.124 -3.917 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 45 PHE O . . rr_1arr 1
1 . 811 . 2 1 46 LYS C C 8.865 13.005 -4.417 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 46 LYS C . . rr_1arr 1
1 . 812 . 2 1 46 LYS CA C 8.844 12.091 -5.658 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 46 LYS CA . . rr_1arr 1
1 . 813 . 2 1 46 LYS CB C 8.164 12.783 -6.824 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 46 LYS CB . . rr_1arr 1
1 . 814 . 2 1 46 LYS CD C 7.801 12.808 -9.308 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 46 LYS CD . . rr_1arr 1
1 . 815 . 2 1 46 LYS CE C 8.329 12.377 -10.675 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 46 LYS CE . . rr_1arr 1
1 . 816 . 2 1 46 LYS CG C 8.568 12.142 -8.155 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 46 LYS CG . . rr_1arr 1
1 . 817 . 2 1 46 LYS N N 8.256 10.767 -5.381 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 46 LYS N . . rr_1arr 1
1 . 818 . 2 1 46 LYS NZ N 7.964 10.978 -10.950 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 46 LYS NZ . . rr_1arr 1
1 . 819 . 2 1 46 LYS O O 9.912 13.574 -4.107 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 46 LYS O . . rr_1arr 1
1 . 820 . 2 1 47 LYS C C 8.450 12.649 -1.217 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 47 LYS C . . rr_1arr 1
1 . 821 . 2 1 47 LYS CA C 7.760 13.552 -2.263 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 47 LYS CA . . rr_1arr 1
1 . 822 . 2 1 47 LYS CB C 6.328 13.867 -1.867 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 47 LYS CB . . rr_1arr 1
1 . 823 . 2 1 47 LYS CD C 4.554 15.561 -1.678 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 47 LYS CD . . rr_1arr 1
1 . 824 . 2 1 47 LYS CE C 3.765 16.728 -2.297 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 47 LYS CE . . rr_1arr 1
1 . 825 . 2 1 47 LYS CG C 5.666 15.021 -2.600 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 47 LYS CG . . rr_1arr 1
1 . 826 . 2 1 47 LYS N N 7.849 12.858 -3.574 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 47 LYS N . . rr_1arr 1
1 . 827 . 2 1 47 LYS NZ N 2.873 16.223 -3.351 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 47 LYS NZ . . rr_1arr 1
1 . 828 . 2 1 47 LYS O O 7.895 12.360 -0.163 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 47 LYS O . . rr_1arr 1
1 . 829 . 2 1 48 GLU C C 10.648 11.314 0.642 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 48 GLU C . . rr_1arr 1
1 . 830 . 2 1 48 GLU CA C 10.532 11.221 -0.897 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 48 GLU CA . . rr_1arr 1
1 . 831 . 2 1 48 GLU CB C 11.901 11.040 -1.514 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 48 GLU CB . . rr_1arr 1
1 . 832 . 2 1 48 GLU CD C 12.999 13.257 -0.853 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 48 GLU CD . . rr_1arr 1
1 . 833 . 2 1 48 GLU CG C 12.643 12.304 -1.998 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 48 GLU CG . . rr_1arr 1
1 . 834 . 2 1 48 GLU N N 9.613 12.139 -1.617 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 48 GLU N . . rr_1arr 1
1 . 835 . 2 1 48 GLU O O 10.934 10.307 1.296 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 48 GLU O . . rr_1arr 1
1 . 836 . 2 1 48 GLU OE1 O 14.065 13.047 -0.241 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 48 GLU OE1 . . rr_1arr 1
1 . 837 . 2 1 48 GLU OE2 O 12.176 14.175 -0.614 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 48 GLU OE2 . . rr_1arr 1
1 . 838 . 2 1 49 GLY C C 9.091 12.064 3.290 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 49 GLY C . . rr_1arr 1
1 . 839 . 2 1 49 GLY CA C 10.285 12.758 2.622 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 49 GLY CA . . rr_1arr 1
1 . 840 . 2 1 49 GLY N N 10.259 12.452 1.188 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 49 GLY N . . rr_1arr 1
1 . 841 . 2 1 49 GLY O O 7.954 12.480 3.076 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 49 GLY O . . rr_1arr 1
1 . 842 . 2 1 50 ARG C C 7.117 9.750 3.471 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 50 ARG C . . rr_1arr 1
1 . 843 . 2 1 50 ARG CA C 8.334 9.956 4.397 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 50 ARG CA . . rr_1arr 1
1 . 844 . 2 1 50 ARG CB C 7.895 10.610 5.702 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 50 ARG CB . . rr_1arr 1
1 . 845 . 2 1 50 ARG CD C 8.542 11.089 8.074 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 50 ARG CD . . rr_1arr 1
1 . 846 . 2 1 50 ARG CG C 8.687 10.108 6.894 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 50 ARG CG . . rr_1arr 1
1 . 847 . 2 1 50 ARG CZ C 6.405 10.079 8.998 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 50 ARG CZ . . rr_1arr 1
1 . 848 . 2 1 50 ARG N N 9.344 10.834 3.760 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 50 ARG N . . rr_1arr 1
1 . 849 . 2 1 50 ARG NE N 7.134 11.102 8.528 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 50 ARG NE . . rr_1arr 1
1 . 850 . 2 1 50 ARG NH1 N 6.935 8.896 9.281 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 50 ARG NH1 . . rr_1arr 1
1 . 851 . 2 1 50 ARG NH2 N 5.090 10.119 8.828 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 50 ARG NH2 . . rr_1arr 1
1 . 852 . 2 1 50 ARG O O 5.967 9.668 3.881 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 50 ARG O . . rr_1arr 1
1 . 853 . 2 1 51 ILE C C 5.201 10.414 1.239 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 51 ILE C . . rr_1arr 1
1 . 854 . 2 1 51 ILE CA C 6.569 9.830 1.048 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 51 ILE CA . . rr_1arr 1
1 . 855 . 2 1 51 ILE CB C 6.702 8.722 -0.023 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 51 ILE CB . . rr_1arr 1
1 . 856 . 2 1 51 ILE CD1 C 4.520 7.355 -0.243 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 51 ILE CD1 . . rr_1arr 1
1 . 857 . 2 1 51 ILE CG1 C 5.947 7.430 0.310 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 51 ILE CG1 . . rr_1arr 1
1 . 858 . 2 1 51 ILE CG2 C 8.112 8.284 -0.373 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 51 ILE CG2 . . rr_1arr 1
1 . 859 . 2 1 51 ILE N N 7.484 9.683 2.203 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 51 ILE N . . rr_1arr 1
1 . 860 . 2 1 51 ILE O O 4.232 9.836 1.724 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 51 ILE O . . rr_1arr 1
1 . 861 . 2 1 52 GLY C C 4.638 13.668 2.415 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 52 GLY C . . rr_1arr 1
1 . 862 . 2 1 52 GLY CA C 4.303 12.711 1.263 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 52 GLY CA . . rr_1arr 1
1 . 863 . 2 1 52 GLY N N 5.340 11.709 1.012 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 52 GLY N . . rr_1arr 1
1 . 864 . 2 1 52 GLY O O 4.726 14.877 2.245 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 52 GLY O . . rr_1arr 1
1 . 865 . 2 1 53 ALA C C 6.214 13.742 5.615 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 53 ALA C . . rr_1arr 1
1 . 866 . 2 1 53 ALA CA C 4.876 13.809 4.848 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 53 ALA CA . . rr_1arr 1
1 . 867 . 2 1 53 ALA CB C 3.651 13.527 5.746 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 53 ALA CB . . rr_1arr 1
1 . 868 . 2 1 53 ALA N N 4.706 13.057 3.584 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 53 ALA N . . rr_1arr 1
1 . 869 . 2 1 53 ALA O O 7.207 14.243 5.033 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 53 ALA O . . rr_1arr 1
1 . 870 . 2 1 53 ALA OXT O 6.227 13.356 6.805 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 53 ALA OXT . . rr_1arr 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_1arr
_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 1arr.mr . $. "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1arr 1
1 1arr.mr . $. unknown 2 distance NOE simple 0 rr_1arr 1
1 1arr.mr . $. n/a 3 comment "Not applicable" "Not applicable" 0 rr_1arr 1
1 1arr.mr . $. unknown 4 distance NOE simple 0 rr_1arr 1
1 1arr.mr . $. n/a 5 comment "Not applicable" "Not applicable" 0 rr_1arr 1
1 1arr.mr . $. unknown 6 stereochemistry prochirality "Not applicable" 0 rr_1arr 1
1 1arr.mr . $. n/a 7 comment "Not applicable" "Not applicable" 0 rr_1arr 1
1 1arr.mr . $. unknown 8 distance "hydrogen bond" simple 0 rr_1arr 1
1 1arr.mr . $. n/a 9 comment "Not applicable" "Not applicable" 0 rr_1arr 1
1 1arr.mr . $. unknown 10 "dihedral angle" "Not applicable" "Not applicable" 0 rr_1arr 1
1 1arr.mr . $. "MR format" 11 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1arr 1
stop_
save_
save_MR_file_comment_1
_Org_constr_file_comment.Sf_framecode MR_file_comment_1
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_1arr
_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 GENE-REGULATING PROTEIN 24-AUG-93 1ARR *COMPND ARC REPRESSOR (NMR, MINIMIZED AVERAGE STRUCTURE) *SOURCE SALMONELLA BACTERIOPHAGE P22 *AUTHOR A.M.J.J.BONVIN,H.VIS,M.J.M.BURGERING,J.N.BREG,R.BOELENS, *AUTHOR 2 R.KAPTEIN *REVDAT 1 31-JAN-94 1ARR 0 REMARK 3 NOE build-ups were obtained from NOESY spectra recorded
REMARK 3 at 600 MHz in H2O and D2O. Additional constraints were
REMARK 3 obtained from a SCUBA experiment revealing NOEs close to REMARK 3 the water frequency and from 3D (15N,1H) heteronuclear
REMARK 3 experiments (3D NOE-HMQC).
REMARK 3 The total number of constraints was 1002 per monomer. REMARK 3 These consisted of 350 intraresidue, 215 sequential, REMARK 3 223 medium-range and 214 long range constraints; 150 REMARK 3 of the total set correspond to intermonomer constraints.
REMARK 3 16 methylene proton pairs and the methyl groups of 4 valine REMARK 3 residues could be stereospecifically assigned. From the
REAMRK 3 stereospecific assignment procedure 21 chi-1 dihedral angle
REMARK 3 constraints could be imposed. REMARK 5 Arc experimental NOE build-ups (1064) in H2O at 600 MHz REMARK 5 The three mixing times are: 0.10000 0.15000 0.20000 [s] REMARK 5 Methyl groups are indicated by Q3###. The stereospecifically REMARK 5 assigned protons are listed below. For peaks involving
REMARK 5 diastereotopic protons that were not stereospecifically REMARK 5 assigned an arbitrary assignment is given. REMARK 5
;
save_
save_MR_file_comment_5
_Org_constr_file_comment.Sf_framecode MR_file_comment_5
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_1arr
_Org_constr_file_comment.ID 3
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 5
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;REMARK 7
REMARK 7 Arc stereospecific assignments (20) from an analysis of
REMARK 7 experimental J-coupling and NOE data.
REMARK 7
;
save_
save_MR_file_comment_3
_Org_constr_file_comment.Sf_framecode MR_file_comment_3
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_1arr
_Org_constr_file_comment.ID 2
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 3
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;REMARK 6 REMARK 6 Arc experimental NOE build-ups (825) in D2O at 600 MHz REMARK 6 The three mixing times are: 0.12000 0.16000 0.20000 [s] REMARK 6 Methyl groups are indicated by Q3###. The stereospecifically REMARK 6 assigned protons are listed below. For peaks involving
REMARK 6 diastereotopic protons that were not stereospecifically REMARK 6 assigned an arbitrary assignment is given. REMARK 6
;
save_
save_MR_file_comment_9
_Org_constr_file_comment.Sf_framecode MR_file_comment_9
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_1arr
_Org_constr_file_comment.ID 5
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 9
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;REMARK 9
REMARK 9 Arc chi-1 dihedral constraints (21) from J-couplings and
REMARK 9 NOE analysis.
REMARK 9
;
save_
save_MR_file_comment_7
_Org_constr_file_comment.Sf_framecode MR_file_comment_7
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_1arr
_Org_constr_file_comment.ID 4
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 7
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;REMARK 8
REMARK 8 Arc qualitative constraints (356). These include:
REMARK 8 - peaks close to the water line
REMARK 8 - peaks with bad build-ups
REMARK 8 - NOE constraints from 3D NOE-(15N,1H)HMQC
REMARK 8 - identified hydrogen bonds
REMARK 8
;
save_
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