NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
611121 |
5tww   |
30203 | cing | 4-filtered-FRED | STAR | entry | full | 42 |
data_FRED_restraints_with_modified_coordinates_PDB_code_5tww
# This FRED archive file contains, for PDB entry <5tww>:
#
# - 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, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister,
# G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for
# 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389?396.
save_Conversion_project_for_entry_Name_1
_Study_list.Sf_category study_list
_Study_list.Entry_ID 1
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project for entry 1" NMR . 1 1
stop_
save_
save_originalConstraints_1
_Entry.PDB_coordinate_file_version .
_Entry.Sf_category entry_information
_Entry.ID 1
_Entry.Title "Data for entry 1"
_Entry.NMR_STAR_version 3.1.0.8
_Entry.Experimental_method NMR
_Entry.Details .
save_
save_assembly_5tww
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 5tww
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 1252.43
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 . 1 $Cyclic_peptide_ALA_ALA_ALA_UN1_ALA_ARG_ALA_ALA_ARG_ALA_ALA_ARG_AL A . 1 1
stop_
save_
save_Cyclic_peptide_ALA_ALA_ALA_UN1_ALA_ARG_ALA_ALA_ARG_ALA_ALA_ARG_AL
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "Cyclic peptide ALA ALA ALA UN1 ALA ARG ALA ALA ARG ALA ALA ARG AL"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code AAAXARAARAARAX
_Entity.Number_of_monomers 14
loop_
_Entity_comp_index.ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 ALA . 1 1
2 ALA . 1 1
3 ALA . 1 1
4 UN1 $UN1 1 1
5 ALA . 1 1
6 ARG . 1 1
7 ALA . 1 1
8 ALA . 1 1
9 ARG . 1 1
10 ALA . 1 1
11 ALA . 1 1
12 ARG . 1 1
13 ALA . 1 1
14 NH2 $NH2 1 1
stop_
loop_
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
ALA 1 1 1 1
ALA 2 2 1 1
ALA 3 3 1 1
UN1 4 4 1 1
ALA 5 5 1 1
ARG 6 6 1 1
ALA 7 7 1 1
ALA 8 8 1 1
ARG 9 9 1 1
ALA 10 10 1 1
ALA 11 11 1 1
ARG 12 12 1 1
ALA 13 13 1 1
NH2 14 14 1 1
stop_
save_
save_UN1
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID UN1
_Chem_comp.Type non-polymer
save_
save_NH2
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID NH2
_Chem_comp.Type non-polymer
save_
save_CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 1
2 1 . . . 1 1
3 1 . . . 1 1
4 1 . . . 1 1
5 1 . . . 1 1
6 1 . . . 1 1
7 1 . . . 1 1
8 1 . . . 1 1
9 1 . . . 1 1
10 1 . . . 1 1
11 1 . . . 1 1
12 1 . . . 1 1
13 1 . . . 1 1
14 1 . . . 1 1
15 1 . . . 1 1
16 1 . . . 1 1
17 1 . . . 1 1
18 1 . . . 1 1
19 1 . . . 1 1
20 1 . . . 1 1
21 1 . . . 1 1
22 1 . . . 1 1
23 1 . . . 1 1
24 1 . . . 1 1
25 1 . . . 1 1
26 1 . . . 1 1
27 1 . . . 1 1
28 1 . . . 1 1
29 1 . . . 1 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 1 1 3 ALA HA . 1 . HA 1 1
1 1 2 1 1 6 ARG H . 4 . HN 1 1
2 1 1 1 1 3 ALA HA . 1 . HA 1 1
2 1 2 1 1 7 ALA H . 5 . HN 1 1
3 1 1 1 1 3 ALA H . 1 . HN 1 1
3 1 2 1 1 5 ALA H . 3 . HN 1 1
4 1 1 1 1 3 ALA H . 1 . HN 1 1
4 1 2 1 1 6 ARG QD . 4 . HD1 1 1
5 1 1 1 1 3 ALA H . 1 . HN 1 1
5 1 2 1 1 6 ARG QG . 4 . HG* 1 1
6 1 1 1 1 5 ALA HA . 3 . HA 1 1
6 1 2 1 1 6 ARG H . 4 . HN 1 1
7 1 1 1 1 5 ALA HA . 3 . HA 1 1
7 1 2 1 1 8 ALA H . 6 . HN 1 1
8 1 1 1 1 5 ALA H . 3 . HN 1 1
8 1 2 1 1 6 ARG H . 4 . HN 1 1
9 1 1 1 1 3 ALA MB . 1 . HB* 1 1
9 1 2 1 1 5 ALA H . 3 . HN 1 1
10 1 1 1 1 6 ARG HA . 4 . HA 1 1
10 1 2 1 1 7 ALA H . 5 . HN 1 1
11 1 1 1 1 6 ARG HA . 4 . HA 1 1
11 1 2 1 1 9 ARG H . 7 . HN 1 1
12 1 1 1 1 6 ARG H . 4 . HN 1 1
12 1 2 1 1 7 ALA H . 5 . HN 1 1
13 1 1 1 1 5 ALA MB . 3 . HB* 1 1
13 1 2 1 1 6 ARG H . 4 . HN 1 1
14 1 1 1 1 7 ALA HA . 5 . HA 1 1
14 1 2 1 1 10 ALA H . 8 . HN 1 1
15 1 1 1 1 7 ALA HA . 5 . HA 1 1
15 1 2 1 1 11 ALA H . 9 . HN 1 1
16 1 1 1 1 7 ALA HA . 5 . HA 1 1
16 1 2 1 1 8 ALA H . 6 . HN 1 1
17 1 1 1 1 7 ALA H . 5 . HN 1 1
17 1 2 1 1 8 ALA H . 6 . HN 1 1
18 1 1 1 1 8 ALA HA . 6 . HA 1 1
18 1 2 1 1 11 ALA H . 9 . HN 1 1
19 1 1 1 1 9 ARG HA . 7 . HA 1 1
19 1 2 1 1 12 ARG H . 10 . HN 1 1
20 1 1 1 1 9 ARG HA . 7 . HA 1 1
20 1 2 1 1 10 ALA H . 8 . HN 1 1
21 1 1 1 1 10 ALA HA . 8 . HA 1 1
21 1 2 1 1 13 ALA H . 11 . HN 1 1
22 1 1 1 1 10 ALA HA . 8 . HA 1 1
22 1 2 1 1 11 ALA H . 9 . HN 1 1
23 1 1 1 1 10 ALA H . 8 . HN 1 1
23 1 2 1 1 11 ALA H . 9 . HN 1 1
24 1 1 1 1 11 ALA HA . 9 . HA 1 1
24 1 2 1 1 12 ARG H . 10 . HN 1 1
25 1 1 1 1 11 ALA H . 9 . HN 1 1
25 1 2 1 1 12 ARG H . 10 . HN 1 1
26 1 1 1 1 9 ARG QB . 7 . HB* 1 1
26 1 2 1 1 11 ALA H . 9 . HN 1 1
27 1 1 1 1 12 ARG HA . 10 . HA 1 1
27 1 2 1 1 13 ALA H . 11 . HN 1 1
28 1 1 1 1 12 ARG H . 10 . HN 1 1
28 1 2 1 1 13 ALA H . 11 . HN 1 1
29 1 1 1 1 10 ALA MB . 8 . HB* 1 1
29 1 2 1 1 12 ARG H . 10 . HN 1 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 0.0 0.0 6.0 1 1
2 1 . . . . . 0.0 0.0 6.0 1 1
3 1 . . . . . 0.0 0.0 6.0 1 1
4 1 . . . . . 0.0 0.0 2.7 1 1
5 1 . . . . . 0.0 0.0 6.0 1 1
6 1 . . . . . 0.0 0.0 3.5 1 1
7 1 . . . . . 0.0 0.0 5.0 1 1
8 1 . . . . . 0.0 0.0 3.5 1 1
9 1 . . . . . 0.0 0.0 6.0 1 1
10 1 . . . . . 0.0 0.0 5.0 1 1
11 1 . . . . . 0.0 0.0 5.0 1 1
12 1 . . . . . 0.0 0.0 5.0 1 1
13 1 . . . . . 0.0 0.0 6.0 1 1
14 1 . . . . . 0.0 0.0 5.0 1 1
15 1 . . . . . 0.0 0.0 6.0 1 1
16 1 . . . . . 0.0 0.0 5.0 1 1
17 1 . . . . . 0.0 0.0 5.0 1 1
18 1 . . . . . 0.0 0.0 5.0 1 1
19 1 . . . . . 0.0 0.0 5.0 1 1
20 1 . . . . . 0.0 0.0 5.0 1 1
21 1 . . . . . 0.0 0.0 6.0 1 1
22 1 . . . . . 0.0 0.0 5.0 1 1
23 1 . . . . . 0.0 0.0 5.0 1 1
24 1 . . . . . 0.0 0.0 3.5 1 1
25 1 . . . . . 0.0 0.0 6.0 1 1
26 1 . . . . . 0.0 0.0 6.0 1 1
27 1 . . . . . 0.0 0.0 5.0 1 1
28 1 . . . . . 0.0 0.0 6.0 1 1
29 1 . . . . . 0.0 0.0 6.0 1 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 2
2 1 . . . 1 2
3 1 . . . 1 2
4 1 . . . 1 2
5 1 . . . 1 2
6 1 . . . 1 2
7 1 . . . 1 2
8 1 . . . 1 2
9 1 . . . 1 2
10 1 . . . 1 2
11 1 . . . 1 2
12 1 . . . 1 2
13 1 . . . 1 2
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 1 1 3 ALA O . 1 . O 1 2
1 1 2 1 1 7 ALA H . 5 . HN 1 2
2 1 1 1 1 3 ALA O . 1 . O 1 2
2 1 2 1 1 7 ALA N . 5 . N 1 2
3 1 1 1 1 5 ALA O . 3 . O 1 2
3 1 2 1 1 9 ARG H . 7 . HN 1 2
4 1 1 1 1 5 ALA O . 3 . O 1 2
4 1 2 1 1 9 ARG N . 7 . N 1 2
5 1 1 1 1 6 ARG O . 4 . O 1 2
5 1 2 1 1 10 ALA H . 8 . HN 1 2
6 1 1 1 1 6 ARG O . 4 . O 1 2
6 1 2 1 1 10 ALA N . 8 . N 1 2
7 1 1 1 1 8 ALA O . 6 . O 1 2
7 1 2 1 1 12 ARG H . 10 . HN 1 2
8 1 1 1 1 8 ALA O . 6 . O 1 2
8 1 2 1 1 12 ARG N . 10 . N 1 2
9 1 1 1 1 7 ALA O . 5 . O 1 2
9 1 2 1 1 11 ALA H . 9 . HN 1 2
10 1 1 1 1 7 ALA O . 5 . O 1 2
10 1 2 1 1 11 ALA N . 9 . N 1 2
11 1 1 1 1 10 ALA O . 8 . O 1 2
11 1 2 1 1 14 NH2 N . 12 . N 1 2
12 1 1 1 1 9 ARG O . 7 . O 1 2
12 1 2 1 1 13 ALA H . 11 . HN 1 2
13 1 1 1 1 9 ARG O . 7 . O 1 2
13 1 2 1 1 13 ALA N . 11 . N 1 2
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 2.0 1.7 2.42 1 2
2 1 . . . . . 3.0 2.7 3.42 1 2
3 1 . . . . . 2.0 1.7 2.42 1 2
4 1 . . . . . 3.0 2.7 3.42 1 2
5 1 . . . . . 2.0 1.7 2.42 1 2
6 1 . . . . . 3.0 2.7 3.42 1 2
7 1 . . . . . 2.0 1.7 2.42 1 2
8 1 . . . . . 3.0 2.7 3.42 1 2
9 1 . . . . . 2.0 1.7 2.42 1 2
10 1 . . . . . 3.0 2.7 3.42 1 2
11 1 . . . . . 3.0 2.7 3.42 1 2
12 1 . . . . . 2.0 1.7 2.52 1 2
13 1 . . . . . 3.0 2.7 3.52 1 2
stop_
save_
save_conformer_family_coord_set_1
_Conformer_family_coord_set.Sf_category conformer_family_coord_set
_Conformer_family_coord_set.Entry_ID 1
_Conformer_family_coord_set.ID 1
loop_
_Atom_site.Model_ID
_Atom_site.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.Occupancy
_Atom_site.Uncertainty
_Atom_site.PDBX_label_asym_ID
_Atom_site.PDB_strand_ID
_Atom_site.PDB_ins_code
_Atom_site.PDB_residue_no
_Atom_site.PDB_residue_name
_Atom_site.PDB_atom_name
_Atom_site.Entry_ID
_Atom_site.Conformer_family_coord_set_ID
1 1 1 1 1 ALA C C 6.399 -6.060 6.779 1.00 . A A . 1 ALA C 1 1
1 2 1 1 1 ALA CA C 5.096 -5.569 7.411 1.00 . A A . 1 ALA CA 1 1
1 3 1 1 1 ALA CB C 4.259 -6.748 7.882 1.00 . A A . 1 ALA CB 1 1
1 4 1 1 1 ALA HA H 5.337 -4.966 8.275 1.00 . A A . 1 ALA HA 1 1
1 5 1 1 1 ALA HB1 H 4.901 -7.598 8.060 1.00 . A A . 1 ALA HB1 1 1
1 6 1 1 1 ALA HB2 H 3.532 -6.999 7.124 1.00 . A A . 1 ALA HB2 1 1
1 7 1 1 1 ALA HB3 H 3.749 -6.485 8.797 1.00 . A A . 1 ALA HB3 1 1
1 8 1 1 1 ALA N N 4.325 -4.741 6.490 1.00 . A A . 1 ALA N 1 1
1 9 1 1 1 ALA O O 7.462 -5.480 7.000 1.00 . A A . 1 ALA O 1 1
1 10 1 1 2 ALA C C 8.227 -6.673 4.507 1.00 . A A . 2 ALA C 1 1
1 11 1 1 2 ALA CA C 7.489 -7.711 5.354 1.00 . A A . 2 ALA CA 1 1
1 12 1 1 2 ALA CB C 7.093 -8.918 4.514 1.00 . A A . 2 ALA CB 1 1
1 13 1 1 2 ALA H H 5.441 -7.564 5.871 1.00 . A A . 2 ALA H 1 1
1 14 1 1 2 ALA HA H 8.156 -8.054 6.132 1.00 . A A . 2 ALA HA 1 1
1 15 1 1 2 ALA HB1 H 6.232 -8.670 3.911 1.00 . A A . 2 ALA HB1 1 1
1 16 1 1 2 ALA HB2 H 6.850 -9.746 5.164 1.00 . A A . 2 ALA HB2 1 1
1 17 1 1 2 ALA HB3 H 7.915 -9.195 3.871 1.00 . A A . 2 ALA HB3 1 1
1 18 1 1 2 ALA N N 6.313 -7.138 6.003 1.00 . A A . 2 ALA N 1 1
1 19 1 1 2 ALA O O 9.088 -5.952 5.011 1.00 . A A . 2 ALA O 1 1
1 20 1 1 3 ALA C C 8.006 -4.233 2.567 1.00 . A A . 3 ALA C 1 1
1 21 1 1 3 ALA CA C 8.525 -5.643 2.320 1.00 . A A . 3 ALA CA 1 1
1 22 1 1 3 ALA CB C 8.292 -6.048 0.872 1.00 . A A . 3 ALA CB 1 1
1 23 1 1 3 ALA H H 7.194 -7.193 2.872 1.00 . A A . 3 ALA H 1 1
1 24 1 1 3 ALA HA H 9.589 -5.664 2.509 1.00 . A A . 3 ALA HA 1 1
1 25 1 1 3 ALA HB1 H 7.374 -6.613 0.800 1.00 . A A . 3 ALA HB1 1 1
1 26 1 1 3 ALA HB2 H 9.117 -6.656 0.530 1.00 . A A . 3 ALA HB2 1 1
1 27 1 1 3 ALA HB3 H 8.219 -5.163 0.258 1.00 . A A . 3 ALA HB3 1 1
1 28 1 1 3 ALA N N 7.888 -6.597 3.221 1.00 . A A . 3 ALA N 1 1
1 29 1 1 3 ALA O O 8.726 -3.251 2.385 1.00 . A A . 3 ALA O 1 1
1 30 1 1 4 UN1 C1 C 3.229 -2.718 5.729 1.00 . A A . 4 UN1 C1 1 1
1 31 1 1 4 UN1 C1' C 4.047 -3.468 6.764 1.00 . A A . 4 UN1 C1' 1 1
1 32 1 1 4 UN1 C3 C 6.905 -2.103 4.340 1.00 . A A . 4 UN1 C3 1 1
1 33 1 1 4 UN1 C4 C 6.120 -2.863 3.271 1.00 . A A . 4 UN1 C4 1 1
1 34 1 1 4 UN1 C5 C 4.663 -3.098 3.702 1.00 . A A . 4 UN1 C5 1 1
1 35 1 1 4 UN1 C6 C 4.089 -2.061 4.662 1.00 . A A . 4 UN1 C6 1 1
1 36 1 1 4 UN1 H1C1 H 2.555 -3.413 5.251 1.00 . A A . 4 UN1 H1C1 1 1
1 37 1 1 4 UN1 H1C2 H 2.656 -1.952 6.233 1.00 . A A . 4 UN1 H1C2 1 1
1 38 1 1 4 UN1 H4 H 6.127 -2.284 2.359 1.00 . A A . 4 UN1 H4 1 1
1 39 1 1 4 UN1 H4N1 H 6.233 -4.967 3.116 1.00 . A A . 4 UN1 H4N1 1 1
1 40 1 1 4 UN1 H5C1 H 4.601 -4.066 4.177 1.00 . A A . 4 UN1 H5C1 1 1
1 41 1 1 4 UN1 H5C2 H 4.043 -3.108 2.819 1.00 . A A . 4 UN1 H5C2 1 1
1 42 1 1 4 UN1 H6C1 H 3.483 -1.365 4.103 1.00 . A A . 4 UN1 H6C1 1 1
1 43 1 1 4 UN1 H6C2 H 4.896 -1.532 5.143 1.00 . A A . 4 UN1 H6C2 1 1
1 44 1 1 4 UN1 N4 N 6.751 -4.145 2.989 1.00 . A A . 4 UN1 N4 1 1
1 45 1 1 4 UN1 O1' O 4.417 -2.912 7.798 1.00 . A A . 4 UN1 O1' 1 1
1 46 1 1 4 UN1 O58 O 7.328 -0.968 4.123 1.00 . A A . 4 UN1 O58 1 1
1 47 1 1 5 ALA C C 9.316 -2.027 6.277 1.00 . A A . 5 ALA C 1 1
1 48 1 1 5 ALA CA C 7.827 -2.116 6.591 1.00 . A A . 5 ALA CA 1 1
1 49 1 1 5 ALA CB C 7.604 -2.894 7.880 1.00 . A A . 5 ALA CB 1 1
1 50 1 1 5 ALA H H 6.733 -3.639 5.608 1.00 . A A . 5 ALA H 1 1
1 51 1 1 5 ALA HA H 7.437 -1.118 6.730 1.00 . A A . 5 ALA HA 1 1
1 52 1 1 5 ALA HB1 H 8.359 -3.660 7.973 1.00 . A A . 5 ALA HB1 1 1
1 53 1 1 5 ALA HB2 H 6.626 -3.352 7.859 1.00 . A A . 5 ALA HB2 1 1
1 54 1 1 5 ALA HB3 H 7.668 -2.221 8.722 1.00 . A A . 5 ALA HB3 1 1
1 55 1 1 5 ALA N N 7.094 -2.736 5.493 1.00 . A A . 5 ALA N 1 1
1 56 1 1 5 ALA O O 9.990 -1.079 6.680 1.00 . A A . 5 ALA O 1 1
1 57 1 1 6 ARG C C 11.582 -1.895 4.254 1.00 . A A . 6 ARG C 1 1
1 58 1 1 6 ARG CA C 11.235 -3.052 5.185 1.00 . A A . 6 ARG CA 1 1
1 59 1 1 6 ARG CB C 11.577 -4.383 4.513 1.00 . A A . 6 ARG CB 1 1
1 60 1 1 6 ARG CD C 13.570 -5.399 5.658 1.00 . A A . 6 ARG CD 1 1
1 61 1 1 6 ARG CG C 12.060 -5.448 5.485 1.00 . A A . 6 ARG CG 1 1
1 62 1 1 6 ARG CZ C 15.554 -5.838 4.265 1.00 . A A . 6 ARG CZ 1 1
1 63 1 1 6 ARG H H 9.237 -3.747 5.261 1.00 . A A . 6 ARG H 1 1
1 64 1 1 6 ARG HA H 11.816 -2.956 6.091 1.00 . A A . 6 ARG HA 1 1
1 65 1 1 6 ARG HB2 H 10.697 -4.757 4.011 1.00 . A A . 6 ARG HB2 1 1
1 66 1 1 6 ARG HB3 H 12.354 -4.215 3.782 1.00 . A A . 6 ARG HB3 1 1
1 67 1 1 6 ARG HD2 H 13.880 -4.367 5.718 1.00 . A A . 6 ARG HD2 1 1
1 68 1 1 6 ARG HD3 H 13.831 -5.906 6.575 1.00 . A A . 6 ARG HD3 1 1
1 69 1 1 6 ARG HE H 13.754 -6.651 3.979 1.00 . A A . 6 ARG HE 1 1
1 70 1 1 6 ARG HG2 H 11.593 -5.285 6.444 1.00 . A A . 6 ARG HG2 1 1
1 71 1 1 6 ARG HG3 H 11.781 -6.420 5.106 1.00 . A A . 6 ARG HG3 1 1
1 72 1 1 6 ARG HH11 H 15.870 -4.546 5.788 1.00 . A A . 6 ARG HH11 1 1
1 73 1 1 6 ARG HH12 H 17.249 -4.871 4.793 1.00 . A A . 6 ARG HH12 1 1
1 74 1 1 6 ARG HH21 H 15.567 -7.080 2.670 1.00 . A A . 6 ARG HH21 1 1
1 75 1 1 6 ARG HH22 H 17.078 -6.309 3.022 1.00 . A A . 6 ARG HH22 1 1
1 76 1 1 6 ARG N N 9.824 -3.019 5.554 1.00 . A A . 6 ARG N 1 1
1 77 1 1 6 ARG NE N 14.269 -6.039 4.546 1.00 . A A . 6 ARG NE 1 1
1 78 1 1 6 ARG NH1 N 16.284 -5.018 5.010 1.00 . A A . 6 ARG NH1 1 1
1 79 1 1 6 ARG NH2 N 16.112 -6.460 3.235 1.00 . A A . 6 ARG NH2 1 1
1 80 1 1 6 ARG O O 12.440 -1.069 4.567 1.00 . A A . 6 ARG O 1 1
1 81 1 1 7 ALA C C 10.885 0.591 2.734 1.00 . A A . 7 ALA C 1 1
1 82 1 1 7 ALA CA C 11.148 -0.786 2.132 1.00 . A A . 7 ALA CA 1 1
1 83 1 1 7 ALA CB C 10.278 -1.001 0.902 1.00 . A A . 7 ALA CB 1 1
1 84 1 1 7 ALA H H 10.238 -2.529 2.916 1.00 . A A . 7 ALA H 1 1
1 85 1 1 7 ALA HA H 12.182 -0.842 1.826 1.00 . A A . 7 ALA HA 1 1
1 86 1 1 7 ALA HB1 H 10.839 -0.742 0.015 1.00 . A A . 7 ALA HB1 1 1
1 87 1 1 7 ALA HB2 H 9.400 -0.376 0.968 1.00 . A A . 7 ALA HB2 1 1
1 88 1 1 7 ALA HB3 H 9.979 -2.037 0.849 1.00 . A A . 7 ALA HB3 1 1
1 89 1 1 7 ALA N N 10.910 -1.841 3.109 1.00 . A A . 7 ALA N 1 1
1 90 1 1 7 ALA O O 11.508 1.578 2.344 1.00 . A A . 7 ALA O 1 1
1 91 1 1 8 ALA C C 10.833 2.530 5.010 1.00 . A A . 8 ALA C 1 1
1 92 1 1 8 ALA CA C 9.613 1.904 4.342 1.00 . A A . 8 ALA CA 1 1
1 93 1 1 8 ALA CB C 8.507 1.678 5.362 1.00 . A A . 8 ALA CB 1 1
1 94 1 1 8 ALA H H 9.496 -0.173 3.953 1.00 . A A . 8 ALA H 1 1
1 95 1 1 8 ALA HA H 9.241 2.582 3.588 1.00 . A A . 8 ALA HA 1 1
1 96 1 1 8 ALA HB1 H 8.672 2.313 6.220 1.00 . A A . 8 ALA HB1 1 1
1 97 1 1 8 ALA HB2 H 8.511 0.644 5.674 1.00 . A A . 8 ALA HB2 1 1
1 98 1 1 8 ALA HB3 H 7.553 1.916 4.916 1.00 . A A . 8 ALA HB3 1 1
1 99 1 1 8 ALA N N 9.959 0.648 3.685 1.00 . A A . 8 ALA N 1 1
1 100 1 1 8 ALA O O 11.125 3.709 4.811 1.00 . A A . 8 ALA O 1 1
1 101 1 1 9 ARG C C 13.870 2.475 5.524 1.00 . A A . 9 ARG C 1 1
1 102 1 1 9 ARG CA C 12.730 2.212 6.503 1.00 . A A . 9 ARG CA 1 1
1 103 1 1 9 ARG CB C 13.172 1.196 7.557 1.00 . A A . 9 ARG CB 1 1
1 104 1 1 9 ARG CD C 14.692 0.668 9.490 1.00 . A A . 9 ARG CD 1 1
1 105 1 1 9 ARG CG C 14.364 1.656 8.381 1.00 . A A . 9 ARG CG 1 1
1 106 1 1 9 ARG CZ C 12.583 -0.275 10.358 1.00 . A A . 9 ARG CZ 1 1
1 107 1 1 9 ARG H H 11.259 0.803 5.924 1.00 . A A . 9 ARG H 1 1
1 108 1 1 9 ARG HA H 12.473 3.138 6.995 1.00 . A A . 9 ARG HA 1 1
1 109 1 1 9 ARG HB2 H 12.347 1.009 8.229 1.00 . A A . 9 ARG HB2 1 1
1 110 1 1 9 ARG HB3 H 13.438 0.273 7.063 1.00 . A A . 9 ARG HB3 1 1
1 111 1 1 9 ARG HD2 H 14.865 -0.303 9.052 1.00 . A A . 9 ARG HD2 1 1
1 112 1 1 9 ARG HD3 H 15.590 0.999 9.993 1.00 . A A . 9 ARG HD3 1 1
1 113 1 1 9 ARG HE H 13.657 1.149 11.254 1.00 . A A . 9 ARG HE 1 1
1 114 1 1 9 ARG HG2 H 15.222 1.751 7.733 1.00 . A A . 9 ARG HG2 1 1
1 115 1 1 9 ARG HG3 H 14.135 2.615 8.822 1.00 . A A . 9 ARG HG3 1 1
1 116 1 1 9 ARG HH11 H 13.180 -1.067 8.594 1.00 . A A . 9 ARG HH11 1 1
1 117 1 1 9 ARG HH12 H 11.706 -1.708 9.234 1.00 . A A . 9 ARG HH12 1 1
1 118 1 1 9 ARG HH21 H 11.719 0.303 12.091 1.00 . A A . 9 ARG HH21 1 1
1 119 1 1 9 ARG HH22 H 10.876 -0.932 11.216 1.00 . A A . 9 ARG HH22 1 1
1 120 1 1 9 ARG N N 11.542 1.734 5.805 1.00 . A A . 9 ARG N 1 1
1 121 1 1 9 ARG NE N 13.612 0.564 10.470 1.00 . A A . 9 ARG NE 1 1
1 122 1 1 9 ARG NH1 N 12.482 -1.082 9.309 1.00 . A A . 9 ARG NH1 1 1
1 123 1 1 9 ARG NH2 N 11.649 -0.304 11.299 1.00 . A A . 9 ARG NH2 1 1
1 124 1 1 9 ARG O O 14.730 3.321 5.771 1.00 . A A . 9 ARG O 1 1
1 125 1 1 10 ALA C C 14.977 3.340 2.898 1.00 . A A . 10 ALA C 1 1
1 126 1 1 10 ALA CA C 14.908 1.901 3.398 1.00 . A A . 10 ALA CA 1 1
1 127 1 1 10 ALA CB C 14.657 0.949 2.238 1.00 . A A . 10 ALA CB 1 1
1 128 1 1 10 ALA H H 13.161 1.086 4.271 1.00 . A A . 10 ALA H 1 1
1 129 1 1 10 ALA HA H 15.856 1.641 3.847 1.00 . A A . 10 ALA HA 1 1
1 130 1 1 10 ALA HB1 H 15.497 0.979 1.560 1.00 . A A . 10 ALA HB1 1 1
1 131 1 1 10 ALA HB2 H 13.761 1.249 1.715 1.00 . A A . 10 ALA HB2 1 1
1 132 1 1 10 ALA HB3 H 14.534 -0.055 2.616 1.00 . A A . 10 ALA HB3 1 1
1 133 1 1 10 ALA N N 13.872 1.745 4.412 1.00 . A A . 10 ALA N 1 1
1 134 1 1 10 ALA O O 15.960 4.043 3.133 1.00 . A A . 10 ALA O 1 1
1 135 1 1 11 ALA C C 13.931 6.161 2.792 1.00 . A A . 11 ALA C 1 1
1 136 1 1 11 ALA CA C 13.868 5.127 1.673 1.00 . A A . 11 ALA CA 1 1
1 137 1 1 11 ALA CB C 12.603 5.315 0.849 1.00 . A A . 11 ALA CB 1 1
1 138 1 1 11 ALA H H 13.174 3.164 2.052 1.00 . A A . 11 ALA H 1 1
1 139 1 1 11 ALA HA H 14.718 5.265 1.021 1.00 . A A . 11 ALA HA 1 1
1 140 1 1 11 ALA HB1 H 12.264 6.336 0.938 1.00 . A A . 11 ALA HB1 1 1
1 141 1 1 11 ALA HB2 H 11.835 4.648 1.212 1.00 . A A . 11 ALA HB2 1 1
1 142 1 1 11 ALA HB3 H 12.813 5.093 -0.187 1.00 . A A . 11 ALA HB3 1 1
1 143 1 1 11 ALA N N 13.927 3.772 2.207 1.00 . A A . 11 ALA N 1 1
1 144 1 1 11 ALA O O 14.442 7.265 2.603 1.00 . A A . 11 ALA O 1 1
1 145 1 1 12 ARG C C 14.825 6.945 5.607 1.00 . A A . 12 ARG C 1 1
1 146 1 1 12 ARG CA C 13.405 6.694 5.108 1.00 . A A . 12 ARG CA 1 1
1 147 1 1 12 ARG CB C 12.551 6.110 6.235 1.00 . A A . 12 ARG CB 1 1
1 148 1 1 12 ARG CD C 11.970 8.405 7.087 1.00 . A A . 12 ARG CD 1 1
1 149 1 1 12 ARG CG C 12.453 7.011 7.456 1.00 . A A . 12 ARG CG 1 1
1 150 1 1 12 ARG CZ C 9.634 7.973 6.430 1.00 . A A . 12 ARG CZ 1 1
1 151 1 1 12 ARG H H 13.016 4.903 4.048 1.00 . A A . 12 ARG H 1 1
1 152 1 1 12 ARG HA H 12.976 7.633 4.793 1.00 . A A . 12 ARG HA 1 1
1 153 1 1 12 ARG HB2 H 11.553 5.936 5.862 1.00 . A A . 12 ARG HB2 1 1
1 154 1 1 12 ARG HB3 H 12.979 5.167 6.544 1.00 . A A . 12 ARG HB3 1 1
1 155 1 1 12 ARG HD2 H 11.637 8.906 7.984 1.00 . A A . 12 ARG HD2 1 1
1 156 1 1 12 ARG HD3 H 12.794 8.955 6.656 1.00 . A A . 12 ARG HD3 1 1
1 157 1 1 12 ARG HE H 11.058 8.658 5.211 1.00 . A A . 12 ARG HE 1 1
1 158 1 1 12 ARG HG2 H 11.759 6.575 8.158 1.00 . A A . 12 ARG HG2 1 1
1 159 1 1 12 ARG HG3 H 13.429 7.087 7.913 1.00 . A A . 12 ARG HG3 1 1
1 160 1 1 12 ARG HH11 H 10.045 7.575 8.370 1.00 . A A . 12 ARG HH11 1 1
1 161 1 1 12 ARG HH12 H 8.410 7.280 7.882 1.00 . A A . 12 ARG HH12 1 1
1 162 1 1 12 ARG HH21 H 8.909 8.270 4.567 1.00 . A A . 12 ARG HH21 1 1
1 163 1 1 12 ARG HH22 H 7.765 7.674 5.723 1.00 . A A . 12 ARG HH22 1 1
1 164 1 1 12 ARG N N 13.408 5.797 3.958 1.00 . A A . 12 ARG N 1 1
1 165 1 1 12 ARG NE N 10.868 8.370 6.128 1.00 . A A . 12 ARG NE 1 1
1 166 1 1 12 ARG NH1 N 9.340 7.577 7.662 1.00 . A A . 12 ARG NH1 1 1
1 167 1 1 12 ARG NH2 N 8.692 7.972 5.497 1.00 . A A . 12 ARG NH2 1 1
1 168 1 1 12 ARG O O 15.132 8.022 6.117 1.00 . A A . 12 ARG O 1 1
1 169 1 1 13 ALA C C 17.955 6.604 4.775 1.00 . A A . 13 ALA C 1 1
1 170 1 1 13 ALA CA C 17.073 6.057 5.892 1.00 . A A . 13 ALA CA 1 1
1 171 1 1 13 ALA CB C 17.590 4.706 6.362 1.00 . A A . 13 ALA CB 1 1
1 172 1 1 13 ALA H H 15.381 5.109 5.042 1.00 . A A . 13 ALA H 1 1
1 173 1 1 13 ALA HA H 17.104 6.740 6.729 1.00 . A A . 13 ALA HA 1 1
1 174 1 1 13 ALA HB1 H 18.144 4.235 5.564 1.00 . A A . 13 ALA HB1 1 1
1 175 1 1 13 ALA HB2 H 16.756 4.079 6.641 1.00 . A A . 13 ALA HB2 1 1
1 176 1 1 13 ALA HB3 H 18.236 4.846 7.216 1.00 . A A . 13 ALA HB3 1 1
1 177 1 1 13 ALA N N 15.686 5.944 5.456 1.00 . A A . 13 ALA N 1 1
1 178 1 1 13 ALA O O 18.908 7.342 5.028 1.00 . A A . 13 ALA O 1 1
1 179 1 1 14 NH2 HN1 H 16.866 5.652 3.412 1.00 . A A . 14 NH2 HN1 1 1
1 180 1 1 14 NH2 HN2 H 18.189 6.580 2.801 1.00 . A A . 14 NH2 HN2 1 1
1 181 1 1 14 NH2 N N 17.638 6.242 3.537 1.00 . A A . 14 NH2 N 1 1
2 182 1 1 1 ALA C C 6.547 -6.036 7.460 1.00 . A A . 1 ALA C 1 1
2 183 1 1 1 ALA CA C 5.169 -5.752 8.048 1.00 . A A . 1 ALA CA 1 1
2 184 1 1 1 ALA CB C 4.455 -7.049 8.401 1.00 . A A . 1 ALA CB 1 1
2 185 1 1 1 ALA HA H 5.287 -5.173 8.953 1.00 . A A . 1 ALA HA 1 1
2 186 1 1 1 ALA HB1 H 3.791 -7.325 7.595 1.00 . A A . 1 ALA HB1 1 1
2 187 1 1 1 ALA HB2 H 3.883 -6.911 9.307 1.00 . A A . 1 ALA HB2 1 1
2 188 1 1 1 ALA HB3 H 5.183 -7.832 8.551 1.00 . A A . 1 ALA HB3 1 1
2 189 1 1 1 ALA N N 4.372 -4.970 7.114 1.00 . A A . 1 ALA N 1 1
2 190 1 1 1 ALA O O 7.516 -5.335 7.756 1.00 . A A . 1 ALA O 1 1
2 191 1 1 2 ALA C C 8.079 -6.617 4.693 1.00 . A A . 2 ALA C 1 1
2 192 1 1 2 ALA CA C 7.880 -7.421 5.971 1.00 . A A . 2 ALA CA 1 1
2 193 1 1 2 ALA CB C 7.909 -8.912 5.672 1.00 . A A . 2 ALA CB 1 1
2 194 1 1 2 ALA H H 5.816 -7.571 6.406 1.00 . A A . 2 ALA H 1 1
2 195 1 1 2 ALA HA H 8.683 -7.196 6.656 1.00 . A A . 2 ALA HA 1 1
2 196 1 1 2 ALA HB1 H 7.226 -9.425 6.333 1.00 . A A . 2 ALA HB1 1 1
2 197 1 1 2 ALA HB2 H 8.910 -9.290 5.825 1.00 . A A . 2 ALA HB2 1 1
2 198 1 1 2 ALA HB3 H 7.613 -9.080 4.647 1.00 . A A . 2 ALA HB3 1 1
2 199 1 1 2 ALA N N 6.625 -7.057 6.613 1.00 . A A . 2 ALA N 1 1
2 200 1 1 2 ALA O O 9.192 -6.198 4.374 1.00 . A A . 2 ALA O 1 1
2 201 1 1 3 ALA C C 6.993 -4.142 3.001 1.00 . A A . 3 ALA C 1 1
2 202 1 1 3 ALA CA C 7.028 -5.641 2.726 1.00 . A A . 3 ALA CA 1 1
2 203 1 1 3 ALA CB C 5.870 -6.041 1.824 1.00 . A A . 3 ALA CB 1 1
2 204 1 1 3 ALA H H 6.129 -6.756 4.282 1.00 . A A . 3 ALA H 1 1
2 205 1 1 3 ALA HA H 7.950 -5.882 2.218 1.00 . A A . 3 ALA HA 1 1
2 206 1 1 3 ALA HB1 H 5.005 -5.438 2.058 1.00 . A A . 3 ALA HB1 1 1
2 207 1 1 3 ALA HB2 H 5.635 -7.084 1.981 1.00 . A A . 3 ALA HB2 1 1
2 208 1 1 3 ALA HB3 H 6.147 -5.887 0.791 1.00 . A A . 3 ALA HB3 1 1
2 209 1 1 3 ALA N N 6.986 -6.400 3.969 1.00 . A A . 3 ALA N 1 1
2 210 1 1 3 ALA O O 7.569 -3.350 2.255 1.00 . A A . 3 ALA O 1 1
2 211 1 1 4 UN1 C1 C 2.974 -3.138 6.399 1.00 . A A . 4 UN1 C1 1 1
2 212 1 1 4 UN1 C1' C 3.755 -3.854 7.484 1.00 . A A . 4 UN1 C1' 1 1
2 213 1 1 4 UN1 C3 C 7.541 -1.859 5.030 1.00 . A A . 4 UN1 C3 1 1
2 214 1 1 4 UN1 C4 C 6.218 -2.352 4.456 1.00 . A A . 4 UN1 C4 1 1
2 215 1 1 4 UN1 C5 C 5.098 -2.141 5.480 1.00 . A A . 4 UN1 C5 1 1
2 216 1 1 4 UN1 C6 C 3.809 -2.882 5.151 1.00 . A A . 4 UN1 C6 1 1
2 217 1 1 4 UN1 H1C1 H 2.121 -3.744 6.129 1.00 . A A . 4 UN1 H1C1 1 1
2 218 1 1 4 UN1 H1C2 H 2.632 -2.191 6.789 1.00 . A A . 4 UN1 H1C2 1 1
2 219 1 1 4 UN1 H4 H 5.992 -1.787 3.564 1.00 . A A . 4 UN1 H4 1 1
2 220 1 1 4 UN1 H4N1 H 5.885 -4.436 4.641 1.00 . A A . 4 UN1 H4N1 1 1
2 221 1 1 4 UN1 H5C1 H 4.876 -1.085 5.536 1.00 . A A . 4 UN1 H5C1 1 1
2 222 1 1 4 UN1 H5C2 H 5.445 -2.476 6.445 1.00 . A A . 4 UN1 H5C2 1 1
2 223 1 1 4 UN1 H6C1 H 4.054 -3.828 4.693 1.00 . A A . 4 UN1 H6C1 1 1
2 224 1 1 4 UN1 H6C2 H 3.230 -2.287 4.461 1.00 . A A . 4 UN1 H6C2 1 1
2 225 1 1 4 UN1 N4 N 6.318 -3.758 4.081 1.00 . A A . 4 UN1 N4 1 1
2 226 1 1 4 UN1 O1' O 3.810 -3.404 8.628 1.00 . A A . 4 UN1 O1' 1 1
2 227 1 1 4 UN1 O58 O 8.015 -0.777 4.685 1.00 . A A . 4 UN1 O58 1 1
2 228 1 1 5 ALA C C 10.521 -2.243 5.497 1.00 . A A . 5 ALA C 1 1
2 229 1 1 5 ALA CA C 9.403 -2.310 6.531 1.00 . A A . 5 ALA CA 1 1
2 230 1 1 5 ALA CB C 9.750 -3.310 7.624 1.00 . A A . 5 ALA CB 1 1
2 231 1 1 5 ALA H H 7.706 -3.514 6.144 1.00 . A A . 5 ALA H 1 1
2 232 1 1 5 ALA HA H 9.291 -1.338 6.989 1.00 . A A . 5 ALA HA 1 1
2 233 1 1 5 ALA HB1 H 9.579 -4.313 7.261 1.00 . A A . 5 ALA HB1 1 1
2 234 1 1 5 ALA HB2 H 9.129 -3.129 8.488 1.00 . A A . 5 ALA HB2 1 1
2 235 1 1 5 ALA HB3 H 10.789 -3.198 7.897 1.00 . A A . 5 ALA HB3 1 1
2 236 1 1 5 ALA N N 8.133 -2.663 5.909 1.00 . A A . 5 ALA N 1 1
2 237 1 1 5 ALA O O 11.382 -1.366 5.556 1.00 . A A . 5 ALA O 1 1
2 238 1 1 6 ARG C C 11.567 -1.910 2.725 1.00 . A A . 6 ARG C 1 1
2 239 1 1 6 ARG CA C 11.518 -3.223 3.502 1.00 . A A . 6 ARG CA 1 1
2 240 1 1 6 ARG CB C 11.238 -4.383 2.545 1.00 . A A . 6 ARG CB 1 1
2 241 1 1 6 ARG CD C 12.625 -6.475 2.753 1.00 . A A . 6 ARG CD 1 1
2 242 1 1 6 ARG CG C 12.493 -5.112 2.088 1.00 . A A . 6 ARG CG 1 1
2 243 1 1 6 ARG CZ C 14.106 -6.098 4.686 1.00 . A A . 6 ARG CZ 1 1
2 244 1 1 6 ARG H H 9.792 -3.851 4.556 1.00 . A A . 6 ARG H 1 1
2 245 1 1 6 ARG HA H 12.475 -3.382 3.976 1.00 . A A . 6 ARG HA 1 1
2 246 1 1 6 ARG HB2 H 10.593 -5.094 3.039 1.00 . A A . 6 ARG HB2 1 1
2 247 1 1 6 ARG HB3 H 10.733 -3.999 1.671 1.00 . A A . 6 ARG HB3 1 1
2 248 1 1 6 ARG HD2 H 11.808 -6.606 3.446 1.00 . A A . 6 ARG HD2 1 1
2 249 1 1 6 ARG HD3 H 12.575 -7.238 1.991 1.00 . A A . 6 ARG HD3 1 1
2 250 1 1 6 ARG HE H 14.609 -7.106 3.038 1.00 . A A . 6 ARG HE 1 1
2 251 1 1 6 ARG HG2 H 12.448 -5.249 1.018 1.00 . A A . 6 ARG HG2 1 1
2 252 1 1 6 ARG HG3 H 13.356 -4.513 2.340 1.00 . A A . 6 ARG HG3 1 1
2 253 1 1 6 ARG HH11 H 12.261 -5.290 4.875 1.00 . A A . 6 ARG HH11 1 1
2 254 1 1 6 ARG HH12 H 13.322 -5.039 6.220 1.00 . A A . 6 ARG HH12 1 1
2 255 1 1 6 ARG HH21 H 16.006 -6.775 4.806 1.00 . A A . 6 ARG HH21 1 1
2 256 1 1 6 ARG HH22 H 15.449 -5.881 6.181 1.00 . A A . 6 ARG HH22 1 1
2 257 1 1 6 ARG N N 10.503 -3.176 4.550 1.00 . A A . 6 ARG N 1 1
2 258 1 1 6 ARG NE N 13.887 -6.609 3.477 1.00 . A A . 6 ARG NE 1 1
2 259 1 1 6 ARG NH1 N 13.151 -5.420 5.311 1.00 . A A . 6 ARG NH1 1 1
2 260 1 1 6 ARG NH2 N 15.283 -6.265 5.272 1.00 . A A . 6 ARG NH2 1 1
2 261 1 1 6 ARG O O 12.597 -1.237 2.687 1.00 . A A . 6 ARG O 1 1
2 262 1 1 7 ALA C C 10.507 0.906 2.207 1.00 . A A . 7 ALA C 1 1
2 263 1 1 7 ALA CA C 10.361 -0.328 1.322 1.00 . A A . 7 ALA CA 1 1
2 264 1 1 7 ALA CB C 9.044 -0.280 0.562 1.00 . A A . 7 ALA CB 1 1
2 265 1 1 7 ALA H H 9.660 -2.136 2.168 1.00 . A A . 7 ALA H 1 1
2 266 1 1 7 ALA HA H 11.164 -0.336 0.600 1.00 . A A . 7 ALA HA 1 1
2 267 1 1 7 ALA HB1 H 8.917 -1.197 0.005 1.00 . A A . 7 ALA HB1 1 1
2 268 1 1 7 ALA HB2 H 9.052 0.557 -0.120 1.00 . A A . 7 ALA HB2 1 1
2 269 1 1 7 ALA HB3 H 8.229 -0.167 1.261 1.00 . A A . 7 ALA HB3 1 1
2 270 1 1 7 ALA N N 10.447 -1.556 2.103 1.00 . A A . 7 ALA N 1 1
2 271 1 1 7 ALA O O 11.282 1.813 1.900 1.00 . A A . 7 ALA O 1 1
2 272 1 1 8 ALA C C 11.214 2.293 4.758 1.00 . A A . 8 ALA C 1 1
2 273 1 1 8 ALA CA C 9.802 2.064 4.229 1.00 . A A . 8 ALA CA 1 1
2 274 1 1 8 ALA CB C 8.835 1.838 5.382 1.00 . A A . 8 ALA CB 1 1
2 275 1 1 8 ALA H H 9.156 0.186 3.493 1.00 . A A . 8 ALA H 1 1
2 276 1 1 8 ALA HA H 9.483 2.946 3.693 1.00 . A A . 8 ALA HA 1 1
2 277 1 1 8 ALA HB1 H 8.643 2.777 5.879 1.00 . A A . 8 ALA HB1 1 1
2 278 1 1 8 ALA HB2 H 9.268 1.140 6.083 1.00 . A A . 8 ALA HB2 1 1
2 279 1 1 8 ALA HB3 H 7.908 1.437 5.000 1.00 . A A . 8 ALA HB3 1 1
2 280 1 1 8 ALA N N 9.757 0.937 3.304 1.00 . A A . 8 ALA N 1 1
2 281 1 1 8 ALA O O 11.634 3.432 4.960 1.00 . A A . 8 ALA O 1 1
2 282 1 1 9 ARG C C 14.196 2.074 4.528 1.00 . A A . 9 ARG C 1 1
2 283 1 1 9 ARG CA C 13.309 1.290 5.488 1.00 . A A . 9 ARG CA 1 1
2 284 1 1 9 ARG CB C 13.883 -0.111 5.708 1.00 . A A . 9 ARG CB 1 1
2 285 1 1 9 ARG CD C 15.657 -1.403 6.933 1.00 . A A . 9 ARG CD 1 1
2 286 1 1 9 ARG CG C 15.320 -0.112 6.203 1.00 . A A . 9 ARG CG 1 1
2 287 1 1 9 ARG CZ C 14.782 -2.742 8.808 1.00 . A A . 9 ARG CZ 1 1
2 288 1 1 9 ARG H H 11.554 0.323 4.802 1.00 . A A . 9 ARG H 1 1
2 289 1 1 9 ARG HA H 13.278 1.809 6.431 1.00 . A A . 9 ARG HA 1 1
2 290 1 1 9 ARG HB2 H 13.275 -0.626 6.437 1.00 . A A . 9 ARG HB2 1 1
2 291 1 1 9 ARG HB3 H 13.846 -0.654 4.775 1.00 . A A . 9 ARG HB3 1 1
2 292 1 1 9 ARG HD2 H 15.546 -2.229 6.247 1.00 . A A . 9 ARG HD2 1 1
2 293 1 1 9 ARG HD3 H 16.681 -1.353 7.272 1.00 . A A . 9 ARG HD3 1 1
2 294 1 1 9 ARG HE H 14.171 -0.902 8.333 1.00 . A A . 9 ARG HE 1 1
2 295 1 1 9 ARG HG2 H 15.983 -0.006 5.357 1.00 . A A . 9 ARG HG2 1 1
2 296 1 1 9 ARG HG3 H 15.459 0.720 6.879 1.00 . A A . 9 ARG HG3 1 1
2 297 1 1 9 ARG HH11 H 16.222 -3.659 7.724 1.00 . A A . 9 ARG HH11 1 1
2 298 1 1 9 ARG HH12 H 15.593 -4.578 9.049 1.00 . A A . 9 ARG HH12 1 1
2 299 1 1 9 ARG HH21 H 13.341 -2.111 10.077 1.00 . A A . 9 ARG HH21 1 1
2 300 1 1 9 ARG HH22 H 13.957 -3.700 10.384 1.00 . A A . 9 ARG HH22 1 1
2 301 1 1 9 ARG N N 11.943 1.204 4.982 1.00 . A A . 9 ARG N 1 1
2 302 1 1 9 ARG NE N 14.786 -1.624 8.085 1.00 . A A . 9 ARG NE 1 1
2 303 1 1 9 ARG NH1 N 15.600 -3.741 8.501 1.00 . A A . 9 ARG NH1 1 1
2 304 1 1 9 ARG NH2 N 13.959 -2.861 9.841 1.00 . A A . 9 ARG NH2 1 1
2 305 1 1 9 ARG O O 14.890 3.008 4.928 1.00 . A A . 9 ARG O 1 1
2 306 1 1 10 ALA C C 14.641 3.835 2.156 1.00 . A A . 10 ALA C 1 1
2 307 1 1 10 ALA CA C 14.965 2.346 2.237 1.00 . A A . 10 ALA CA 1 1
2 308 1 1 10 ALA CB C 14.742 1.683 0.886 1.00 . A A . 10 ALA CB 1 1
2 309 1 1 10 ALA H H 13.591 0.934 3.010 1.00 . A A . 10 ALA H 1 1
2 310 1 1 10 ALA HA H 16.006 2.229 2.500 1.00 . A A . 10 ALA HA 1 1
2 311 1 1 10 ALA HB1 H 14.363 0.683 1.035 1.00 . A A . 10 ALA HB1 1 1
2 312 1 1 10 ALA HB2 H 15.678 1.637 0.349 1.00 . A A . 10 ALA HB2 1 1
2 313 1 1 10 ALA HB3 H 14.027 2.258 0.316 1.00 . A A . 10 ALA HB3 1 1
2 314 1 1 10 ALA N N 14.166 1.685 3.262 1.00 . A A . 10 ALA N 1 1
2 315 1 1 10 ALA O O 15.475 4.639 1.741 1.00 . A A . 10 ALA O 1 1
2 316 1 1 11 ALA C C 13.511 6.354 3.738 1.00 . A A . 11 ALA C 1 1
2 317 1 1 11 ALA CA C 12.994 5.589 2.524 1.00 . A A . 11 ALA CA 1 1
2 318 1 1 11 ALA CB C 11.476 5.668 2.456 1.00 . A A . 11 ALA CB 1 1
2 319 1 1 11 ALA H H 12.803 3.511 2.875 1.00 . A A . 11 ALA H 1 1
2 320 1 1 11 ALA HA H 13.395 6.042 1.629 1.00 . A A . 11 ALA HA 1 1
2 321 1 1 11 ALA HB1 H 11.049 4.795 2.927 1.00 . A A . 11 ALA HB1 1 1
2 322 1 1 11 ALA HB2 H 11.164 5.709 1.423 1.00 . A A . 11 ALA HB2 1 1
2 323 1 1 11 ALA HB3 H 11.139 6.556 2.969 1.00 . A A . 11 ALA HB3 1 1
2 324 1 1 11 ALA N N 13.425 4.196 2.555 1.00 . A A . 11 ALA N 1 1
2 325 1 1 11 ALA O O 14.334 7.261 3.609 1.00 . A A . 11 ALA O 1 1
2 326 1 1 12 ARG C C 14.941 6.555 6.350 1.00 . A A . 12 ARG C 1 1
2 327 1 1 12 ARG CA C 13.430 6.640 6.156 1.00 . A A . 12 ARG CA 1 1
2 328 1 1 12 ARG CB C 12.715 6.009 7.352 1.00 . A A . 12 ARG CB 1 1
2 329 1 1 12 ARG CD C 11.548 3.806 7.687 1.00 . A A . 12 ARG CD 1 1
2 330 1 1 12 ARG CG C 12.877 4.499 7.430 1.00 . A A . 12 ARG CG 1 1
2 331 1 1 12 ARG CZ C 10.009 3.424 9.574 1.00 . A A . 12 ARG CZ 1 1
2 332 1 1 12 ARG H H 12.366 5.258 4.957 1.00 . A A . 12 ARG H 1 1
2 333 1 1 12 ARG HA H 13.148 7.680 6.089 1.00 . A A . 12 ARG HA 1 1
2 334 1 1 12 ARG HB2 H 13.109 6.439 8.261 1.00 . A A . 12 ARG HB2 1 1
2 335 1 1 12 ARG HB3 H 11.661 6.235 7.286 1.00 . A A . 12 ARG HB3 1 1
2 336 1 1 12 ARG HD2 H 10.776 4.317 7.131 1.00 . A A . 12 ARG HD2 1 1
2 337 1 1 12 ARG HD3 H 11.618 2.783 7.347 1.00 . A A . 12 ARG HD3 1 1
2 338 1 1 12 ARG HE H 11.871 4.121 9.740 1.00 . A A . 12 ARG HE 1 1
2 339 1 1 12 ARG HG2 H 13.282 4.142 6.496 1.00 . A A . 12 ARG HG2 1 1
2 340 1 1 12 ARG HG3 H 13.558 4.262 8.235 1.00 . A A . 12 ARG HG3 1 1
2 341 1 1 12 ARG HH11 H 9.238 2.972 7.760 1.00 . A A . 12 ARG HH11 1 1
2 342 1 1 12 ARG HH12 H 8.177 2.710 9.103 1.00 . A A . 12 ARG HH12 1 1
2 343 1 1 12 ARG HH21 H 10.477 3.776 11.508 1.00 . A A . 12 ARG HH21 1 1
2 344 1 1 12 ARG HH22 H 8.880 3.167 11.230 1.00 . A A . 12 ARG HH22 1 1
2 345 1 1 12 ARG N N 13.021 5.986 4.918 1.00 . A A . 12 ARG N 1 1
2 346 1 1 12 ARG NE N 11.192 3.812 9.105 1.00 . A A . 12 ARG NE 1 1
2 347 1 1 12 ARG NH1 N 9.064 3.001 8.744 1.00 . A A . 12 ARG NH1 1 1
2 348 1 1 12 ARG NH2 N 9.769 3.458 10.878 1.00 . A A . 12 ARG NH2 1 1
2 349 1 1 12 ARG O O 15.562 7.477 6.878 1.00 . A A . 12 ARG O 1 1
2 350 1 1 13 ALA C C 17.725 6.006 4.970 1.00 . A A . 13 ALA C 1 1
2 351 1 1 13 ALA CA C 16.965 5.240 6.045 1.00 . A A . 13 ALA CA 1 1
2 352 1 1 13 ALA CB C 17.298 3.757 5.976 1.00 . A A . 13 ALA CB 1 1
2 353 1 1 13 ALA H H 14.979 4.744 5.505 1.00 . A A . 13 ALA H 1 1
2 354 1 1 13 ALA HA H 17.268 5.607 7.012 1.00 . A A . 13 ALA HA 1 1
2 355 1 1 13 ALA HB1 H 18.342 3.611 6.212 1.00 . A A . 13 ALA HB1 1 1
2 356 1 1 13 ALA HB2 H 17.099 3.389 4.980 1.00 . A A . 13 ALA HB2 1 1
2 357 1 1 13 ALA HB3 H 16.690 3.218 6.687 1.00 . A A . 13 ALA HB3 1 1
2 358 1 1 13 ALA N N 15.527 5.443 5.918 1.00 . A A . 13 ALA N 1 1
2 359 1 1 13 ALA O O 18.424 6.977 5.259 1.00 . A A . 13 ALA O 1 1
2 360 1 1 14 NH2 HN1 H 17.013 4.787 3.576 1.00 . A A . 14 NH2 HN1 1 1
2 361 1 1 14 NH2 HN2 H 18.063 6.038 3.012 1.00 . A A . 14 NH2 HN2 1 1
2 362 1 1 14 NH2 N N 17.587 5.566 3.727 1.00 . A A . 14 NH2 N 1 1
3 363 1 1 1 ALA C C 6.108 -6.725 6.545 1.00 . A A . 1 ALA C 1 1
3 364 1 1 1 ALA CA C 4.634 -6.964 6.883 1.00 . A A . 1 ALA CA 1 1
3 365 1 1 1 ALA CB C 4.049 -8.070 6.015 1.00 . A A . 1 ALA CB 1 1
3 366 1 1 1 ALA HA H 4.555 -7.265 7.918 1.00 . A A . 1 ALA HA 1 1
3 367 1 1 1 ALA HB1 H 2.972 -7.993 6.011 1.00 . A A . 1 ALA HB1 1 1
3 368 1 1 1 ALA HB2 H 4.339 -9.032 6.413 1.00 . A A . 1 ALA HB2 1 1
3 369 1 1 1 ALA HB3 H 4.421 -7.971 5.006 1.00 . A A . 1 ALA HB3 1 1
3 370 1 1 1 ALA N N 3.870 -5.734 6.709 1.00 . A A . 1 ALA N 1 1
3 371 1 1 1 ALA O O 6.596 -5.600 6.653 1.00 . A A . 1 ALA O 1 1
3 372 1 1 2 ALA C C 8.407 -6.651 4.624 1.00 . A A . 2 ALA C 1 1
3 373 1 1 2 ALA CA C 8.219 -7.643 5.772 1.00 . A A . 2 ALA CA 1 1
3 374 1 1 2 ALA CB C 8.795 -9.001 5.399 1.00 . A A . 2 ALA CB 1 1
3 375 1 1 2 ALA H H 6.377 -8.647 6.052 1.00 . A A . 2 ALA H 1 1
3 376 1 1 2 ALA HA H 8.750 -7.279 6.640 1.00 . A A . 2 ALA HA 1 1
3 377 1 1 2 ALA HB1 H 8.194 -9.781 5.842 1.00 . A A . 2 ALA HB1 1 1
3 378 1 1 2 ALA HB2 H 9.808 -9.075 5.767 1.00 . A A . 2 ALA HB2 1 1
3 379 1 1 2 ALA HB3 H 8.793 -9.110 4.325 1.00 . A A . 2 ALA HB3 1 1
3 380 1 1 2 ALA N N 6.812 -7.772 6.128 1.00 . A A . 2 ALA N 1 1
3 381 1 1 2 ALA O O 9.502 -6.126 4.418 1.00 . A A . 2 ALA O 1 1
3 382 1 1 3 ALA C C 7.405 -4.025 3.210 1.00 . A A . 3 ALA C 1 1
3 383 1 1 3 ALA CA C 7.381 -5.477 2.746 1.00 . A A . 3 ALA CA 1 1
3 384 1 1 3 ALA CB C 6.196 -5.715 1.823 1.00 . A A . 3 ALA CB 1 1
3 385 1 1 3 ALA H H 6.489 -6.851 4.085 1.00 . A A . 3 ALA H 1 1
3 386 1 1 3 ALA HA H 8.282 -5.678 2.192 1.00 . A A . 3 ALA HA 1 1
3 387 1 1 3 ALA HB1 H 5.937 -4.793 1.324 1.00 . A A . 3 ALA HB1 1 1
3 388 1 1 3 ALA HB2 H 5.352 -6.060 2.402 1.00 . A A . 3 ALA HB2 1 1
3 389 1 1 3 ALA HB3 H 6.457 -6.462 1.087 1.00 . A A . 3 ALA HB3 1 1
3 390 1 1 3 ALA N N 7.333 -6.401 3.876 1.00 . A A . 3 ALA N 1 1
3 391 1 1 3 ALA O O 8.409 -3.329 3.055 1.00 . A A . 3 ALA O 1 1
3 392 1 1 4 UN1 C1 C 3.136 -3.753 5.563 1.00 . A A . 4 UN1 C1 1 1
3 393 1 1 4 UN1 C1' C 3.977 -5.006 5.609 1.00 . A A . 4 UN1 C1' 1 1
3 394 1 1 4 UN1 C3 C 7.401 -1.803 5.078 1.00 . A A . 4 UN1 C3 1 1
3 395 1 1 4 UN1 C4 C 6.172 -2.200 4.264 1.00 . A A . 4 UN1 C4 1 1
3 396 1 1 4 UN1 C5 C 4.912 -2.028 5.122 1.00 . A A . 4 UN1 C5 1 1
3 397 1 1 4 UN1 C6 C 3.674 -2.728 4.574 1.00 . A A . 4 UN1 C6 1 1
3 398 1 1 4 UN1 H1C1 H 2.131 -4.024 5.286 1.00 . A A . 4 UN1 H1C1 1 1
3 399 1 1 4 UN1 H1C2 H 3.127 -3.311 6.548 1.00 . A A . 4 UN1 H1C2 1 1
3 400 1 1 4 UN1 H4 H 6.102 -1.550 3.404 1.00 . A A . 4 UN1 H4 1 1
3 401 1 1 4 UN1 H4N1 H 5.531 -4.181 3.865 1.00 . A A . 4 UN1 H4N1 1 1
3 402 1 1 4 UN1 H5C1 H 4.692 -0.973 5.204 1.00 . A A . 4 UN1 H5C1 1 1
3 403 1 1 4 UN1 H5C2 H 5.111 -2.418 6.109 1.00 . A A . 4 UN1 H5C2 1 1
3 404 1 1 4 UN1 H6C1 H 3.930 -3.228 3.652 1.00 . A A . 4 UN1 H6C1 1 1
3 405 1 1 4 UN1 H6C2 H 2.909 -1.990 4.385 1.00 . A A . 4 UN1 H6C2 1 1
3 406 1 1 4 UN1 N4 N 6.291 -3.574 3.776 1.00 . A A . 4 UN1 N4 1 1
3 407 1 1 4 UN1 O1' O 4.711 -5.312 4.672 1.00 . A A . 4 UN1 O1' 1 1
3 408 1 1 4 UN1 O58 O 7.790 -0.636 5.108 1.00 . A A . 4 UN1 O58 1 1
3 409 1 1 5 ALA C C 10.377 -2.129 5.686 1.00 . A A . 5 ALA C 1 1
3 410 1 1 5 ALA CA C 9.192 -2.546 6.551 1.00 . A A . 5 ALA CA 1 1
3 411 1 1 5 ALA CB C 9.537 -3.789 7.358 1.00 . A A . 5 ALA CB 1 1
3 412 1 1 5 ALA H H 7.650 -3.696 5.672 1.00 . A A . 5 ALA H 1 1
3 413 1 1 5 ALA HA H 8.965 -1.748 7.243 1.00 . A A . 5 ALA HA 1 1
3 414 1 1 5 ALA HB1 H 8.659 -4.128 7.888 1.00 . A A . 5 ALA HB1 1 1
3 415 1 1 5 ALA HB2 H 10.317 -3.554 8.066 1.00 . A A . 5 ALA HB2 1 1
3 416 1 1 5 ALA HB3 H 9.878 -4.567 6.691 1.00 . A A . 5 ALA HB3 1 1
3 417 1 1 5 ALA N N 8.008 -2.786 5.737 1.00 . A A . 5 ALA N 1 1
3 418 1 1 5 ALA O O 10.952 -1.058 5.879 1.00 . A A . 5 ALA O 1 1
3 419 1 1 6 ARG C C 11.602 -1.431 3.032 1.00 . A A . 6 ARG C 1 1
3 420 1 1 6 ARG CA C 11.854 -2.702 3.839 1.00 . A A . 6 ARG CA 1 1
3 421 1 1 6 ARG CB C 12.088 -3.886 2.896 1.00 . A A . 6 ARG CB 1 1
3 422 1 1 6 ARG CD C 14.551 -3.528 2.544 1.00 . A A . 6 ARG CD 1 1
3 423 1 1 6 ARG CG C 13.476 -4.494 3.016 1.00 . A A . 6 ARG CG 1 1
3 424 1 1 6 ARG CZ C 16.498 -3.975 3.987 1.00 . A A . 6 ARG CZ 1 1
3 425 1 1 6 ARG H H 10.240 -3.822 4.629 1.00 . A A . 6 ARG H 1 1
3 426 1 1 6 ARG HA H 12.736 -2.559 4.446 1.00 . A A . 6 ARG HA 1 1
3 427 1 1 6 ARG HB2 H 11.362 -4.654 3.115 1.00 . A A . 6 ARG HB2 1 1
3 428 1 1 6 ARG HB3 H 11.952 -3.554 1.876 1.00 . A A . 6 ARG HB3 1 1
3 429 1 1 6 ARG HD2 H 14.433 -3.370 1.482 1.00 . A A . 6 ARG HD2 1 1
3 430 1 1 6 ARG HD3 H 14.425 -2.589 3.063 1.00 . A A . 6 ARG HD3 1 1
3 431 1 1 6 ARG HE H 16.377 -4.442 2.050 1.00 . A A . 6 ARG HE 1 1
3 432 1 1 6 ARG HG2 H 13.661 -4.745 4.050 1.00 . A A . 6 ARG HG2 1 1
3 433 1 1 6 ARG HG3 H 13.519 -5.389 2.413 1.00 . A A . 6 ARG HG3 1 1
3 434 1 1 6 ARG HH11 H 14.951 -3.071 4.925 1.00 . A A . 6 ARG HH11 1 1
3 435 1 1 6 ARG HH12 H 16.334 -3.393 5.916 1.00 . A A . 6 ARG HH12 1 1
3 436 1 1 6 ARG HH21 H 18.197 -4.865 3.352 1.00 . A A . 6 ARG HH21 1 1
3 437 1 1 6 ARG HH22 H 18.177 -4.411 5.023 1.00 . A A . 6 ARG HH22 1 1
3 438 1 1 6 ARG N N 10.737 -2.983 4.734 1.00 . A A . 6 ARG N 1 1
3 439 1 1 6 ARG NE N 15.896 -4.036 2.801 1.00 . A A . 6 ARG NE 1 1
3 440 1 1 6 ARG NH1 N 15.876 -3.435 5.028 1.00 . A A . 6 ARG NH1 1 1
3 441 1 1 6 ARG NH2 N 17.725 -4.457 4.132 1.00 . A A . 6 ARG NH2 1 1
3 442 1 1 6 ARG O O 12.539 -0.730 2.650 1.00 . A A . 6 ARG O 1 1
3 443 1 1 7 ALA C C 10.191 1.318 2.819 1.00 . A A . 7 ALA C 1 1
3 444 1 1 7 ALA CA C 9.955 0.045 2.014 1.00 . A A . 7 ALA CA 1 1
3 445 1 1 7 ALA CB C 8.498 -0.046 1.585 1.00 . A A . 7 ALA CB 1 1
3 446 1 1 7 ALA H H 9.627 -1.738 3.106 1.00 . A A . 7 ALA H 1 1
3 447 1 1 7 ALA HA H 10.565 0.075 1.123 1.00 . A A . 7 ALA HA 1 1
3 448 1 1 7 ALA HB1 H 8.193 0.892 1.145 1.00 . A A . 7 ALA HB1 1 1
3 449 1 1 7 ALA HB2 H 7.882 -0.256 2.447 1.00 . A A . 7 ALA HB2 1 1
3 450 1 1 7 ALA HB3 H 8.384 -0.838 0.860 1.00 . A A . 7 ALA HB3 1 1
3 451 1 1 7 ALA N N 10.330 -1.140 2.776 1.00 . A A . 7 ALA N 1 1
3 452 1 1 7 ALA O O 10.719 2.303 2.301 1.00 . A A . 7 ALA O 1 1
3 453 1 1 8 ALA C C 11.392 2.556 5.473 1.00 . A A . 8 ALA C 1 1
3 454 1 1 8 ALA CA C 9.959 2.448 4.963 1.00 . A A . 8 ALA CA 1 1
3 455 1 1 8 ALA CB C 8.987 2.365 6.130 1.00 . A A . 8 ALA CB 1 1
3 456 1 1 8 ALA H H 9.377 0.480 4.441 1.00 . A A . 8 ALA H 1 1
3 457 1 1 8 ALA HA H 9.723 3.334 4.392 1.00 . A A . 8 ALA HA 1 1
3 458 1 1 8 ALA HB1 H 9.186 1.470 6.701 1.00 . A A . 8 ALA HB1 1 1
3 459 1 1 8 ALA HB2 H 7.975 2.335 5.755 1.00 . A A . 8 ALA HB2 1 1
3 460 1 1 8 ALA HB3 H 9.111 3.231 6.764 1.00 . A A . 8 ALA HB3 1 1
3 461 1 1 8 ALA N N 9.794 1.293 4.087 1.00 . A A . 8 ALA N 1 1
3 462 1 1 8 ALA O O 11.907 3.656 5.676 1.00 . A A . 8 ALA O 1 1
3 463 1 1 9 ARG C C 14.370 1.936 5.135 1.00 . A A . 9 ARG C 1 1
3 464 1 1 9 ARG CA C 13.404 1.379 6.174 1.00 . A A . 9 ARG CA 1 1
3 465 1 1 9 ARG CB C 13.803 -0.050 6.547 1.00 . A A . 9 ARG CB 1 1
3 466 1 1 9 ARG CD C 14.885 0.235 8.797 1.00 . A A . 9 ARG CD 1 1
3 467 1 1 9 ARG CG C 15.099 -0.132 7.337 1.00 . A A . 9 ARG CG 1 1
3 468 1 1 9 ARG CZ C 16.912 1.569 9.227 1.00 . A A . 9 ARG CZ 1 1
3 469 1 1 9 ARG H H 11.567 0.565 5.506 1.00 . A A . 9 ARG H 1 1
3 470 1 1 9 ARG HA H 13.451 1.997 7.056 1.00 . A A . 9 ARG HA 1 1
3 471 1 1 9 ARG HB2 H 13.015 -0.488 7.141 1.00 . A A . 9 ARG HB2 1 1
3 472 1 1 9 ARG HB3 H 13.922 -0.626 5.641 1.00 . A A . 9 ARG HB3 1 1
3 473 1 1 9 ARG HD2 H 14.261 1.114 8.846 1.00 . A A . 9 ARG HD2 1 1
3 474 1 1 9 ARG HD3 H 14.389 -0.587 9.292 1.00 . A A . 9 ARG HD3 1 1
3 475 1 1 9 ARG HE H 16.440 -0.129 10.164 1.00 . A A . 9 ARG HE 1 1
3 476 1 1 9 ARG HG2 H 15.480 -1.140 7.282 1.00 . A A . 9 ARG HG2 1 1
3 477 1 1 9 ARG HG3 H 15.816 0.550 6.905 1.00 . A A . 9 ARG HG3 1 1
3 478 1 1 9 ARG HH11 H 15.689 2.336 7.810 1.00 . A A . 9 ARG HH11 1 1
3 479 1 1 9 ARG HH12 H 17.123 3.252 8.127 1.00 . A A . 9 ARG HH12 1 1
3 480 1 1 9 ARG HH21 H 18.328 1.075 10.582 1.00 . A A . 9 ARG HH21 1 1
3 481 1 1 9 ARG HH22 H 18.623 2.536 9.700 1.00 . A A . 9 ARG HH22 1 1
3 482 1 1 9 ARG N N 12.031 1.410 5.683 1.00 . A A . 9 ARG N 1 1
3 483 1 1 9 ARG NE N 16.147 0.510 9.481 1.00 . A A . 9 ARG NE 1 1
3 484 1 1 9 ARG NH1 N 16.544 2.459 8.313 1.00 . A A . 9 ARG NH1 1 1
3 485 1 1 9 ARG NH2 N 18.047 1.741 9.891 1.00 . A A . 9 ARG NH2 1 1
3 486 1 1 9 ARG O O 15.267 2.715 5.460 1.00 . A A . 9 ARG O 1 1
3 487 1 1 10 ALA C C 14.704 3.420 2.400 1.00 . A A . 10 ALA C 1 1
3 488 1 1 10 ALA CA C 15.036 1.985 2.796 1.00 . A A . 10 ALA CA 1 1
3 489 1 1 10 ALA CB C 14.899 1.059 1.597 1.00 . A A . 10 ALA CB 1 1
3 490 1 1 10 ALA H H 13.450 0.908 3.695 1.00 . A A . 10 ALA H 1 1
3 491 1 1 10 ALA HA H 16.060 1.944 3.137 1.00 . A A . 10 ALA HA 1 1
3 492 1 1 10 ALA HB1 H 15.287 1.549 0.717 1.00 . A A . 10 ALA HB1 1 1
3 493 1 1 10 ALA HB2 H 13.857 0.819 1.445 1.00 . A A . 10 ALA HB2 1 1
3 494 1 1 10 ALA HB3 H 15.455 0.151 1.778 1.00 . A A . 10 ALA HB3 1 1
3 495 1 1 10 ALA N N 14.181 1.530 3.887 1.00 . A A . 10 ALA N 1 1
3 496 1 1 10 ALA O O 15.596 4.215 2.106 1.00 . A A . 10 ALA O 1 1
3 497 1 1 11 ALA C C 13.390 6.105 3.085 1.00 . A A . 11 ALA C 1 1
3 498 1 1 11 ALA CA C 12.966 5.083 2.036 1.00 . A A . 11 ALA CA 1 1
3 499 1 1 11 ALA CB C 11.455 5.102 1.858 1.00 . A A . 11 ALA CB 1 1
3 500 1 1 11 ALA H H 12.751 3.067 2.640 1.00 . A A . 11 ALA H 1 1
3 501 1 1 11 ALA HA H 13.419 5.344 1.090 1.00 . A A . 11 ALA HA 1 1
3 502 1 1 11 ALA HB1 H 11.178 4.431 1.058 1.00 . A A . 11 ALA HB1 1 1
3 503 1 1 11 ALA HB2 H 11.134 6.104 1.615 1.00 . A A . 11 ALA HB2 1 1
3 504 1 1 11 ALA HB3 H 10.981 4.785 2.775 1.00 . A A . 11 ALA HB3 1 1
3 505 1 1 11 ALA N N 13.415 3.744 2.395 1.00 . A A . 11 ALA N 1 1
3 506 1 1 11 ALA O O 14.066 7.086 2.774 1.00 . A A . 11 ALA O 1 1
3 507 1 1 12 ARG C C 14.842 6.846 5.615 1.00 . A A . 12 ARG C 1 1
3 508 1 1 12 ARG CA C 13.331 6.767 5.426 1.00 . A A . 12 ARG CA 1 1
3 509 1 1 12 ARG CB C 12.667 6.299 6.723 1.00 . A A . 12 ARG CB 1 1
3 510 1 1 12 ARG CD C 11.790 7.215 8.895 1.00 . A A . 12 ARG CD 1 1
3 511 1 1 12 ARG CG C 12.951 7.202 7.912 1.00 . A A . 12 ARG CG 1 1
3 512 1 1 12 ARG CZ C 11.942 5.098 10.151 1.00 . A A . 12 ARG CZ 1 1
3 513 1 1 12 ARG H H 12.455 5.068 4.516 1.00 . A A . 12 ARG H 1 1
3 514 1 1 12 ARG HA H 12.959 7.749 5.176 1.00 . A A . 12 ARG HA 1 1
3 515 1 1 12 ARG HB2 H 11.598 6.261 6.573 1.00 . A A . 12 ARG HB2 1 1
3 516 1 1 12 ARG HB3 H 13.024 5.307 6.959 1.00 . A A . 12 ARG HB3 1 1
3 517 1 1 12 ARG HD2 H 11.598 8.235 9.191 1.00 . A A . 12 ARG HD2 1 1
3 518 1 1 12 ARG HD3 H 10.915 6.813 8.406 1.00 . A A . 12 ARG HD3 1 1
3 519 1 1 12 ARG HE H 12.382 6.900 10.887 1.00 . A A . 12 ARG HE 1 1
3 520 1 1 12 ARG HG2 H 13.834 6.846 8.420 1.00 . A A . 12 ARG HG2 1 1
3 521 1 1 12 ARG HG3 H 13.120 8.208 7.556 1.00 . A A . 12 ARG HG3 1 1
3 522 1 1 12 ARG HH11 H 11.306 4.890 8.242 1.00 . A A . 12 ARG HH11 1 1
3 523 1 1 12 ARG HH12 H 11.428 3.420 9.147 1.00 . A A . 12 ARG HH12 1 1
3 524 1 1 12 ARG HH21 H 12.541 4.966 12.076 1.00 . A A . 12 ARG HH21 1 1
3 525 1 1 12 ARG HH22 H 12.128 3.462 11.322 1.00 . A A . 12 ARG HH22 1 1
3 526 1 1 12 ARG N N 12.991 5.867 4.330 1.00 . A A . 12 ARG N 1 1
3 527 1 1 12 ARG NE N 12.074 6.422 10.089 1.00 . A A . 12 ARG NE 1 1
3 528 1 1 12 ARG NH1 N 11.524 4.414 9.092 1.00 . A A . 12 ARG NH1 1 1
3 529 1 1 12 ARG NH2 N 12.227 4.456 11.275 1.00 . A A . 12 ARG NH2 1 1
3 530 1 1 12 ARG O O 15.373 7.880 6.022 1.00 . A A . 12 ARG O 1 1
3 531 1 1 13 ALA C C 17.652 6.744 4.573 1.00 . A A . 13 ALA C 1 1
3 532 1 1 13 ALA CA C 16.980 5.695 5.452 1.00 . A A . 13 ALA CA 1 1
3 533 1 1 13 ALA CB C 17.491 4.304 5.105 1.00 . A A . 13 ALA CB 1 1
3 534 1 1 13 ALA H H 15.050 4.956 4.996 1.00 . A A . 13 ALA H 1 1
3 535 1 1 13 ALA HA H 17.225 5.895 6.483 1.00 . A A . 13 ALA HA 1 1
3 536 1 1 13 ALA HB1 H 17.403 3.662 5.969 1.00 . A A . 13 ALA HB1 1 1
3 537 1 1 13 ALA HB2 H 18.527 4.366 4.806 1.00 . A A . 13 ALA HB2 1 1
3 538 1 1 13 ALA HB3 H 16.905 3.898 4.293 1.00 . A A . 13 ALA HB3 1 1
3 539 1 1 13 ALA N N 15.530 5.749 5.316 1.00 . A A . 13 ALA N 1 1
3 540 1 1 13 ALA O O 18.077 7.793 5.055 1.00 . A A . 13 ALA O 1 1
3 541 1 1 14 NH2 HN1 H 17.383 5.603 2.971 1.00 . A A . 14 NH2 HN1 1 1
3 542 1 1 14 NH2 HN2 H 18.171 7.114 2.691 1.00 . A A . 14 NH2 HN2 1 1
3 543 1 1 14 NH2 N N 17.745 6.458 3.281 1.00 . A A . 14 NH2 N 1 1
4 544 1 1 1 ALA C C 5.881 -6.469 5.951 1.00 . A A . 1 ALA C 1 1
4 545 1 1 1 ALA CA C 4.356 -6.522 6.050 1.00 . A A . 1 ALA CA 1 1
4 546 1 1 1 ALA CB C 3.782 -7.667 5.225 1.00 . A A . 1 ALA CB 1 1
4 547 1 1 1 ALA HA H 4.075 -6.672 7.083 1.00 . A A . 1 ALA HA 1 1
4 548 1 1 1 ALA HB1 H 4.325 -7.747 4.294 1.00 . A A . 1 ALA HB1 1 1
4 549 1 1 1 ALA HB2 H 2.740 -7.475 5.019 1.00 . A A . 1 ALA HB2 1 1
4 550 1 1 1 ALA HB3 H 3.876 -8.591 5.776 1.00 . A A . 1 ALA HB3 1 1
4 551 1 1 1 ALA N N 3.791 -5.258 5.608 1.00 . A A . 1 ALA N 1 1
4 552 1 1 1 ALA O O 6.486 -5.436 6.241 1.00 . A A . 1 ALA O 1 1
4 553 1 1 2 ALA C C 8.442 -6.483 4.467 1.00 . A A . 2 ALA C 1 1
4 554 1 1 2 ALA CA C 7.957 -7.600 5.392 1.00 . A A . 2 ALA CA 1 1
4 555 1 1 2 ALA CB C 8.407 -8.955 4.867 1.00 . A A . 2 ALA CB 1 1
4 556 1 1 2 ALA H H 5.987 -8.363 5.302 1.00 . A A . 2 ALA H 1 1
4 557 1 1 2 ALA HA H 8.390 -7.456 6.371 1.00 . A A . 2 ALA HA 1 1
4 558 1 1 2 ALA HB1 H 7.789 -9.240 4.029 1.00 . A A . 2 ALA HB1 1 1
4 559 1 1 2 ALA HB2 H 8.313 -9.693 5.651 1.00 . A A . 2 ALA HB2 1 1
4 560 1 1 2 ALA HB3 H 9.437 -8.895 4.551 1.00 . A A . 2 ALA HB3 1 1
4 561 1 1 2 ALA N N 6.507 -7.566 5.531 1.00 . A A . 2 ALA N 1 1
4 562 1 1 2 ALA O O 9.600 -6.071 4.529 1.00 . A A . 2 ALA O 1 1
4 563 1 1 3 ALA C C 7.648 -3.553 3.289 1.00 . A A . 3 ALA C 1 1
4 564 1 1 3 ALA CA C 7.878 -4.930 2.673 1.00 . A A . 3 ALA CA 1 1
4 565 1 1 3 ALA CB C 7.068 -5.079 1.394 1.00 . A A . 3 ALA CB 1 1
4 566 1 1 3 ALA H H 6.637 -6.365 3.606 1.00 . A A . 3 ALA H 1 1
4 567 1 1 3 ALA HA H 8.922 -5.026 2.421 1.00 . A A . 3 ALA HA 1 1
4 568 1 1 3 ALA HB1 H 7.452 -4.404 0.644 1.00 . A A . 3 ALA HB1 1 1
4 569 1 1 3 ALA HB2 H 6.033 -4.843 1.594 1.00 . A A . 3 ALA HB2 1 1
4 570 1 1 3 ALA HB3 H 7.143 -6.095 1.037 1.00 . A A . 3 ALA HB3 1 1
4 571 1 1 3 ALA N N 7.544 -5.996 3.610 1.00 . A A . 3 ALA N 1 1
4 572 1 1 3 ALA O O 8.436 -2.631 3.080 1.00 . A A . 3 ALA O 1 1
4 573 1 1 4 UN1 C1 C 2.669 -3.143 5.832 1.00 . A A . 4 UN1 C1 1 1
4 574 1 1 4 UN1 C1' C 3.183 -4.429 6.444 1.00 . A A . 4 UN1 C1' 1 1
4 575 1 1 4 UN1 C3 C 7.437 -1.608 5.466 1.00 . A A . 4 UN1 C3 1 1
4 576 1 1 4 UN1 C4 C 6.236 -2.148 4.695 1.00 . A A . 4 UN1 C4 1 1
4 577 1 1 4 UN1 C5 C 5.047 -2.314 5.645 1.00 . A A . 4 UN1 C5 1 1
4 578 1 1 4 UN1 C6 C 3.706 -2.473 4.937 1.00 . A A . 4 UN1 C6 1 1
4 579 1 1 4 UN1 H1C1 H 1.793 -3.367 5.241 1.00 . A A . 4 UN1 H1C1 1 1
4 580 1 1 4 UN1 H1C2 H 2.403 -2.463 6.628 1.00 . A A . 4 UN1 H1C2 1 1
4 581 1 1 4 UN1 H4 H 5.973 -1.441 3.922 1.00 . A A . 4 UN1 H4 1 1
4 582 1 1 4 UN1 H4N1 H 5.975 -4.189 4.180 1.00 . A A . 4 UN1 H4N1 1 1
4 583 1 1 4 UN1 H5C1 H 4.990 -1.446 6.285 1.00 . A A . 4 UN1 H5C1 1 1
4 584 1 1 4 UN1 H5C2 H 5.214 -3.187 6.257 1.00 . A A . 4 UN1 H5C2 1 1
4 585 1 1 4 UN1 H6C1 H 3.848 -3.077 4.052 1.00 . A A . 4 UN1 H6C1 1 1
4 586 1 1 4 UN1 H6C2 H 3.343 -1.497 4.653 1.00 . A A . 4 UN1 H6C2 1 1
4 587 1 1 4 UN1 N4 N 6.564 -3.418 4.050 1.00 . A A . 4 UN1 N4 1 1
4 588 1 1 4 UN1 O1' O 3.049 -4.661 7.646 1.00 . A A . 4 UN1 O1' 1 1
4 589 1 1 4 UN1 O58 O 7.715 -0.409 5.445 1.00 . A A . 4 UN1 O58 1 1
4 590 1 1 5 ALA C C 10.563 -2.062 6.041 1.00 . A A . 5 ALA C 1 1
4 591 1 1 5 ALA CA C 9.319 -2.124 6.922 1.00 . A A . 5 ALA CA 1 1
4 592 1 1 5 ALA CB C 9.531 -3.100 8.070 1.00 . A A . 5 ALA CB 1 1
4 593 1 1 5 ALA H H 7.874 -3.447 6.121 1.00 . A A . 5 ALA H 1 1
4 594 1 1 5 ALA HA H 9.138 -1.145 7.341 1.00 . A A . 5 ALA HA 1 1
4 595 1 1 5 ALA HB1 H 9.030 -2.731 8.952 1.00 . A A . 5 ALA HB1 1 1
4 596 1 1 5 ALA HB2 H 10.588 -3.197 8.270 1.00 . A A . 5 ALA HB2 1 1
4 597 1 1 5 ALA HB3 H 9.125 -4.064 7.801 1.00 . A A . 5 ALA HB3 1 1
4 598 1 1 5 ALA N N 8.146 -2.505 6.145 1.00 . A A . 5 ALA N 1 1
4 599 1 1 5 ALA O O 11.371 -1.140 6.156 1.00 . A A . 5 ALA O 1 1
4 600 1 1 6 ARG C C 11.955 -1.827 3.427 1.00 . A A . 6 ARG C 1 1
4 601 1 1 6 ARG CA C 11.854 -3.105 4.258 1.00 . A A . 6 ARG CA 1 1
4 602 1 1 6 ARG CB C 11.741 -4.327 3.340 1.00 . A A . 6 ARG CB 1 1
4 603 1 1 6 ARG CD C 14.175 -4.263 2.695 1.00 . A A . 6 ARG CD 1 1
4 604 1 1 6 ARG CG C 12.741 -4.335 2.193 1.00 . A A . 6 ARG CG 1 1
4 605 1 1 6 ARG CZ C 15.289 -3.539 0.620 1.00 . A A . 6 ARG CZ 1 1
4 606 1 1 6 ARG H H 10.031 -3.754 5.117 1.00 . A A . 6 ARG H 1 1
4 607 1 1 6 ARG HA H 12.745 -3.199 4.861 1.00 . A A . 6 ARG HA 1 1
4 608 1 1 6 ARG HB2 H 11.898 -5.219 3.929 1.00 . A A . 6 ARG HB2 1 1
4 609 1 1 6 ARG HB3 H 10.746 -4.355 2.921 1.00 . A A . 6 ARG HB3 1 1
4 610 1 1 6 ARG HD2 H 14.168 -3.928 3.722 1.00 . A A . 6 ARG HD2 1 1
4 611 1 1 6 ARG HD3 H 14.611 -5.250 2.643 1.00 . A A . 6 ARG HD3 1 1
4 612 1 1 6 ARG HE H 15.322 -2.537 2.346 1.00 . A A . 6 ARG HE 1 1
4 613 1 1 6 ARG HG2 H 12.616 -5.246 1.626 1.00 . A A . 6 ARG HG2 1 1
4 614 1 1 6 ARG HG3 H 12.549 -3.484 1.556 1.00 . A A . 6 ARG HG3 1 1
4 615 1 1 6 ARG HH11 H 14.292 -5.293 0.468 1.00 . A A . 6 ARG HH11 1 1
4 616 1 1 6 ARG HH12 H 15.082 -4.761 -0.978 1.00 . A A . 6 ARG HH12 1 1
4 617 1 1 6 ARG HH21 H 16.362 -1.835 0.444 1.00 . A A . 6 ARG HH21 1 1
4 618 1 1 6 ARG HH22 H 16.259 -2.799 -0.991 1.00 . A A . 6 ARG HH22 1 1
4 619 1 1 6 ARG N N 10.710 -3.048 5.161 1.00 . A A . 6 ARG N 1 1
4 620 1 1 6 ARG NE N 14.986 -3.343 1.901 1.00 . A A . 6 ARG NE 1 1
4 621 1 1 6 ARG NH1 N 14.852 -4.620 -0.015 1.00 . A A . 6 ARG NH1 1 1
4 622 1 1 6 ARG NH2 N 16.030 -2.651 -0.029 1.00 . A A . 6 ARG NH2 1 1
4 623 1 1 6 ARG O O 13.036 -1.257 3.275 1.00 . A A . 6 ARG O 1 1
4 624 1 1 7 ALA C C 10.736 1.077 2.947 1.00 . A A . 7 ALA C 1 1
4 625 1 1 7 ALA CA C 10.784 -0.176 2.078 1.00 . A A . 7 ALA CA 1 1
4 626 1 1 7 ALA CB C 9.588 -0.213 1.138 1.00 . A A . 7 ALA CB 1 1
4 627 1 1 7 ALA H H 9.993 -1.881 3.050 1.00 . A A . 7 ALA H 1 1
4 628 1 1 7 ALA HA H 11.681 -0.151 1.477 1.00 . A A . 7 ALA HA 1 1
4 629 1 1 7 ALA HB1 H 9.741 0.489 0.333 1.00 . A A . 7 ALA HB1 1 1
4 630 1 1 7 ALA HB2 H 8.694 0.052 1.683 1.00 . A A . 7 ALA HB2 1 1
4 631 1 1 7 ALA HB3 H 9.480 -1.208 0.733 1.00 . A A . 7 ALA HB3 1 1
4 632 1 1 7 ALA N N 10.823 -1.384 2.893 1.00 . A A . 7 ALA N 1 1
4 633 1 1 7 ALA O O 11.175 2.149 2.530 1.00 . A A . 7 ALA O 1 1
4 634 1 1 8 ALA C C 11.470 2.558 5.505 1.00 . A A . 8 ALA C 1 1
4 635 1 1 8 ALA CA C 10.093 2.061 5.077 1.00 . A A . 8 ALA CA 1 1
4 636 1 1 8 ALA CB C 9.272 1.668 6.295 1.00 . A A . 8 ALA CB 1 1
4 637 1 1 8 ALA H H 9.863 0.059 4.431 1.00 . A A . 8 ALA H 1 1
4 638 1 1 8 ALA HA H 9.576 2.861 4.568 1.00 . A A . 8 ALA HA 1 1
4 639 1 1 8 ALA HB1 H 9.468 2.360 7.101 1.00 . A A . 8 ALA HB1 1 1
4 640 1 1 8 ALA HB2 H 9.542 0.669 6.605 1.00 . A A . 8 ALA HB2 1 1
4 641 1 1 8 ALA HB3 H 8.221 1.695 6.046 1.00 . A A . 8 ALA HB3 1 1
4 642 1 1 8 ALA N N 10.198 0.937 4.154 1.00 . A A . 8 ALA N 1 1
4 643 1 1 8 ALA O O 11.807 3.725 5.309 1.00 . A A . 8 ALA O 1 1
4 644 1 1 9 ARG C C 14.546 2.232 5.376 1.00 . A A . 9 ARG C 1 1
4 645 1 1 9 ARG CA C 13.599 2.021 6.553 1.00 . A A . 9 ARG CA 1 1
4 646 1 1 9 ARG CB C 14.149 0.932 7.477 1.00 . A A . 9 ARG CB 1 1
4 647 1 1 9 ARG CD C 15.647 -0.985 6.835 1.00 . A A . 9 ARG CD 1 1
4 648 1 1 9 ARG CG C 14.228 -0.439 6.823 1.00 . A A . 9 ARG CG 1 1
4 649 1 1 9 ARG CZ C 17.685 -0.729 5.473 1.00 . A A . 9 ARG CZ 1 1
4 650 1 1 9 ARG H H 11.935 0.752 6.226 1.00 . A A . 9 ARG H 1 1
4 651 1 1 9 ARG HA H 13.524 2.944 7.107 1.00 . A A . 9 ARG HA 1 1
4 652 1 1 9 ARG HB2 H 15.142 1.215 7.795 1.00 . A A . 9 ARG HB2 1 1
4 653 1 1 9 ARG HB3 H 13.510 0.857 8.344 1.00 . A A . 9 ARG HB3 1 1
4 654 1 1 9 ARG HD2 H 16.182 -0.542 7.662 1.00 . A A . 9 ARG HD2 1 1
4 655 1 1 9 ARG HD3 H 15.606 -2.056 6.966 1.00 . A A . 9 ARG HD3 1 1
4 656 1 1 9 ARG HE H 15.824 -0.439 4.813 1.00 . A A . 9 ARG HE 1 1
4 657 1 1 9 ARG HG2 H 13.587 -1.121 7.361 1.00 . A A . 9 ARG HG2 1 1
4 658 1 1 9 ARG HG3 H 13.892 -0.359 5.799 1.00 . A A . 9 ARG HG3 1 1
4 659 1 1 9 ARG HH11 H 18.022 -1.277 7.391 1.00 . A A . 9 ARG HH11 1 1
4 660 1 1 9 ARG HH12 H 19.438 -1.090 6.412 1.00 . A A . 9 ARG HH12 1 1
4 661 1 1 9 ARG HH21 H 17.686 -0.193 3.524 1.00 . A A . 9 ARG HH21 1 1
4 662 1 1 9 ARG HH22 H 19.248 -0.475 4.217 1.00 . A A . 9 ARG HH22 1 1
4 663 1 1 9 ARG N N 12.260 1.667 6.094 1.00 . A A . 9 ARG N 1 1
4 664 1 1 9 ARG NE N 16.360 -0.685 5.595 1.00 . A A . 9 ARG NE 1 1
4 665 1 1 9 ARG NH1 N 18.444 -1.059 6.511 1.00 . A A . 9 ARG NH1 1 1
4 666 1 1 9 ARG NH2 N 18.253 -0.442 4.309 1.00 . A A . 9 ARG NH2 1 1
4 667 1 1 9 ARG O O 15.475 3.035 5.452 1.00 . A A . 9 ARG O 1 1
4 668 1 1 10 ALA C C 14.879 2.919 2.357 1.00 . A A . 10 ALA C 1 1
4 669 1 1 10 ALA CA C 15.143 1.614 3.100 1.00 . A A . 10 ALA CA 1 1
4 670 1 1 10 ALA CB C 14.910 0.425 2.181 1.00 . A A . 10 ALA CB 1 1
4 671 1 1 10 ALA H H 13.552 0.880 4.288 1.00 . A A . 10 ALA H 1 1
4 672 1 1 10 ALA HA H 16.176 1.596 3.417 1.00 . A A . 10 ALA HA 1 1
4 673 1 1 10 ALA HB1 H 13.891 0.441 1.823 1.00 . A A . 10 ALA HB1 1 1
4 674 1 1 10 ALA HB2 H 15.085 -0.491 2.726 1.00 . A A . 10 ALA HB2 1 1
4 675 1 1 10 ALA HB3 H 15.588 0.480 1.343 1.00 . A A . 10 ALA HB3 1 1
4 676 1 1 10 ALA N N 14.307 1.505 4.290 1.00 . A A . 10 ALA N 1 1
4 677 1 1 10 ALA O O 15.809 3.588 1.906 1.00 . A A . 10 ALA O 1 1
4 678 1 1 11 ALA C C 13.295 5.709 2.460 1.00 . A A . 11 ALA C 1 1
4 679 1 1 11 ALA CA C 13.219 4.498 1.536 1.00 . A A . 11 ALA CA 1 1
4 680 1 1 11 ALA CB C 11.816 4.358 0.963 1.00 . A A . 11 ALA CB 1 1
4 681 1 1 11 ALA H H 12.908 2.700 2.608 1.00 . A A . 11 ALA H 1 1
4 682 1 1 11 ALA HA H 13.903 4.644 0.713 1.00 . A A . 11 ALA HA 1 1
4 683 1 1 11 ALA HB1 H 11.721 3.400 0.475 1.00 . A A . 11 ALA HB1 1 1
4 684 1 1 11 ALA HB2 H 11.640 5.147 0.247 1.00 . A A . 11 ALA HB2 1 1
4 685 1 1 11 ALA HB3 H 11.093 4.429 1.762 1.00 . A A . 11 ALA HB3 1 1
4 686 1 1 11 ALA N N 13.605 3.275 2.229 1.00 . A A . 11 ALA N 1 1
4 687 1 1 11 ALA O O 13.988 6.683 2.166 1.00 . A A . 11 ALA O 1 1
4 688 1 1 12 ARG C C 13.950 6.963 5.132 1.00 . A A . 12 ARG C 1 1
4 689 1 1 12 ARG CA C 12.564 6.739 4.540 1.00 . A A . 12 ARG CA 1 1
4 690 1 1 12 ARG CB C 11.558 6.455 5.657 1.00 . A A . 12 ARG CB 1 1
4 691 1 1 12 ARG CD C 9.114 6.973 5.355 1.00 . A A . 12 ARG CD 1 1
4 692 1 1 12 ARG CG C 10.216 5.945 5.154 1.00 . A A . 12 ARG CG 1 1
4 693 1 1 12 ARG CZ C 7.299 5.917 4.064 1.00 . A A . 12 ARG CZ 1 1
4 694 1 1 12 ARG H H 12.043 4.843 3.756 1.00 . A A . 12 ARG H 1 1
4 695 1 1 12 ARG HA H 12.264 7.632 4.019 1.00 . A A . 12 ARG HA 1 1
4 696 1 1 12 ARG HB2 H 11.975 5.711 6.320 1.00 . A A . 12 ARG HB2 1 1
4 697 1 1 12 ARG HB3 H 11.388 7.365 6.213 1.00 . A A . 12 ARG HB3 1 1
4 698 1 1 12 ARG HD2 H 8.616 6.770 6.291 1.00 . A A . 12 ARG HD2 1 1
4 699 1 1 12 ARG HD3 H 9.559 7.957 5.390 1.00 . A A . 12 ARG HD3 1 1
4 700 1 1 12 ARG HE H 8.082 7.712 3.679 1.00 . A A . 12 ARG HE 1 1
4 701 1 1 12 ARG HG2 H 10.298 5.723 4.100 1.00 . A A . 12 ARG HG2 1 1
4 702 1 1 12 ARG HG3 H 9.959 5.045 5.693 1.00 . A A . 12 ARG HG3 1 1
4 703 1 1 12 ARG HH11 H 7.980 4.808 5.613 1.00 . A A . 12 ARG HH11 1 1
4 704 1 1 12 ARG HH12 H 6.705 4.088 4.689 1.00 . A A . 12 ARG HH12 1 1
4 705 1 1 12 ARG HH21 H 6.406 6.766 2.462 1.00 . A A . 12 ARG HH21 1 1
4 706 1 1 12 ARG HH22 H 5.811 5.199 2.900 1.00 . A A . 12 ARG HH22 1 1
4 707 1 1 12 ARG N N 12.577 5.644 3.576 1.00 . A A . 12 ARG N 1 1
4 708 1 1 12 ARG NE N 8.128 6.937 4.277 1.00 . A A . 12 ARG NE 1 1
4 709 1 1 12 ARG NH1 N 7.331 4.851 4.854 1.00 . A A . 12 ARG NH1 1 1
4 710 1 1 12 ARG NH2 N 6.434 5.964 3.060 1.00 . A A . 12 ARG NH2 1 1
4 711 1 1 12 ARG O O 14.457 8.085 5.147 1.00 . A A . 12 ARG O 1 1
4 712 1 1 13 ALA C C 16.969 5.742 5.163 1.00 . A A . 13 ALA C 1 1
4 713 1 1 13 ALA CA C 15.884 5.962 6.212 1.00 . A A . 13 ALA CA 1 1
4 714 1 1 13 ALA CB C 16.016 4.944 7.336 1.00 . A A . 13 ALA CB 1 1
4 715 1 1 13 ALA H H 14.097 5.025 5.574 1.00 . A A . 13 ALA H 1 1
4 716 1 1 13 ALA HA H 16.004 6.948 6.637 1.00 . A A . 13 ALA HA 1 1
4 717 1 1 13 ALA HB1 H 15.041 4.549 7.580 1.00 . A A . 13 ALA HB1 1 1
4 718 1 1 13 ALA HB2 H 16.440 5.422 8.207 1.00 . A A . 13 ALA HB2 1 1
4 719 1 1 13 ALA HB3 H 16.662 4.137 7.019 1.00 . A A . 13 ALA HB3 1 1
4 720 1 1 13 ALA N N 14.555 5.889 5.617 1.00 . A A . 13 ALA N 1 1
4 721 1 1 13 ALA O O 18.067 6.288 5.266 1.00 . A A . 13 ALA O 1 1
4 722 1 1 14 NH2 HN1 H 15.766 4.538 4.134 1.00 . A A . 14 NH2 HN1 1 1
4 723 1 1 14 NH2 HN2 H 17.340 4.780 3.462 1.00 . A A . 14 NH2 HN2 1 1
4 724 1 1 14 NH2 N N 16.661 4.939 4.151 1.00 . A A . 14 NH2 N 1 1
5 725 1 1 1 ALA C C 6.027 -6.685 6.500 1.00 . A A . 1 ALA C 1 1
5 726 1 1 1 ALA CA C 4.567 -6.836 6.933 1.00 . A A . 1 ALA CA 1 1
5 727 1 1 1 ALA CB C 3.825 -7.807 6.024 1.00 . A A . 1 ALA CB 1 1
5 728 1 1 1 ALA HA H 4.537 -7.224 7.942 1.00 . A A . 1 ALA HA 1 1
5 729 1 1 1 ALA HB1 H 2.763 -7.728 6.204 1.00 . A A . 1 ALA HB1 1 1
5 730 1 1 1 ALA HB2 H 4.152 -8.815 6.231 1.00 . A A . 1 ALA HB2 1 1
5 731 1 1 1 ALA HB3 H 4.034 -7.565 4.993 1.00 . A A . 1 ALA HB3 1 1
5 732 1 1 1 ALA N N 3.901 -5.539 6.928 1.00 . A A . 1 ALA N 1 1
5 733 1 1 1 ALA O O 6.619 -5.620 6.670 1.00 . A A . 1 ALA O 1 1
5 734 1 1 2 ALA C C 8.176 -6.614 4.412 1.00 . A A . 2 ALA C 1 1
5 735 1 1 2 ALA CA C 7.986 -7.693 5.479 1.00 . A A . 2 ALA CA 1 1
5 736 1 1 2 ALA CB C 8.410 -9.051 4.941 1.00 . A A . 2 ALA CB 1 1
5 737 1 1 2 ALA H H 6.087 -8.566 5.815 1.00 . A A . 2 ALA H 1 1
5 738 1 1 2 ALA HA H 8.609 -7.458 6.329 1.00 . A A . 2 ALA HA 1 1
5 739 1 1 2 ALA HB1 H 8.446 -9.763 5.752 1.00 . A A . 2 ALA HB1 1 1
5 740 1 1 2 ALA HB2 H 9.388 -8.971 4.490 1.00 . A A . 2 ALA HB2 1 1
5 741 1 1 2 ALA HB3 H 7.697 -9.384 4.201 1.00 . A A . 2 ALA HB3 1 1
5 742 1 1 2 ALA N N 6.603 -7.741 5.935 1.00 . A A . 2 ALA N 1 1
5 743 1 1 2 ALA O O 9.293 -6.156 4.171 1.00 . A A . 2 ALA O 1 1
5 744 1 1 3 ALA C C 7.304 -3.801 3.308 1.00 . A A . 3 ALA C 1 1
5 745 1 1 3 ALA CA C 7.123 -5.198 2.726 1.00 . A A . 3 ALA CA 1 1
5 746 1 1 3 ALA CB C 5.860 -5.258 1.881 1.00 . A A . 3 ALA CB 1 1
5 747 1 1 3 ALA H H 6.216 -6.621 4.003 1.00 . A A . 3 ALA H 1 1
5 748 1 1 3 ALA HA H 7.961 -5.417 2.087 1.00 . A A . 3 ALA HA 1 1
5 749 1 1 3 ALA HB1 H 6.017 -5.922 1.044 1.00 . A A . 3 ALA HB1 1 1
5 750 1 1 3 ALA HB2 H 5.624 -4.269 1.516 1.00 . A A . 3 ALA HB2 1 1
5 751 1 1 3 ALA HB3 H 5.041 -5.624 2.482 1.00 . A A . 3 ALA HB3 1 1
5 752 1 1 3 ALA N N 7.077 -6.217 3.771 1.00 . A A . 3 ALA N 1 1
5 753 1 1 3 ALA O O 8.351 -3.176 3.134 1.00 . A A . 3 ALA O 1 1
5 754 1 1 4 UN1 C1 C 3.260 -3.407 6.020 1.00 . A A . 4 UN1 C1 1 1
5 755 1 1 4 UN1 C1' C 3.990 -4.722 5.890 1.00 . A A . 4 UN1 C1' 1 1
5 756 1 1 4 UN1 C3 C 7.624 -1.750 5.337 1.00 . A A . 4 UN1 C3 1 1
5 757 1 1 4 UN1 C4 C 6.307 -1.983 4.600 1.00 . A A . 4 UN1 C4 1 1
5 758 1 1 4 UN1 C5 C 5.137 -1.795 5.575 1.00 . A A . 4 UN1 C5 1 1
5 759 1 1 4 UN1 C6 C 3.805 -2.345 5.077 1.00 . A A . 4 UN1 C6 1 1
5 760 1 1 4 UN1 H1C1 H 2.217 -3.572 5.807 1.00 . A A . 4 UN1 H1C1 1 1
5 761 1 1 4 UN1 H1C2 H 3.366 -3.056 7.035 1.00 . A A . 4 UN1 H1C2 1 1
5 762 1 1 4 UN1 H4 H 6.221 -1.256 3.806 1.00 . A A . 4 UN1 H4 1 1
5 763 1 1 4 UN1 H4N1 H 5.473 -3.864 4.087 1.00 . A A . 4 UN1 H4N1 1 1
5 764 1 1 4 UN1 H5C1 H 5.014 -0.739 5.766 1.00 . A A . 4 UN1 H5C1 1 1
5 765 1 1 4 UN1 H5C2 H 5.380 -2.290 6.504 1.00 . A A . 4 UN1 H5C2 1 1
5 766 1 1 4 UN1 H6C1 H 3.946 -2.779 4.099 1.00 . A A . 4 UN1 H6C1 1 1
5 767 1 1 4 UN1 H6C2 H 3.094 -1.535 5.015 1.00 . A A . 4 UN1 H6C2 1 1
5 768 1 1 4 UN1 N4 N 6.274 -3.315 3.992 1.00 . A A . 4 UN1 N4 1 1
5 769 1 1 4 UN1 O1' O 4.626 -4.997 4.874 1.00 . A A . 4 UN1 O1' 1 1
5 770 1 1 4 UN1 O58 O 8.109 -0.621 5.422 1.00 . A A . 4 UN1 O58 1 1
5 771 1 1 5 ALA C C 10.601 -2.344 5.673 1.00 . A A . 5 ALA C 1 1
5 772 1 1 5 ALA CA C 9.456 -2.743 6.597 1.00 . A A . 5 ALA CA 1 1
5 773 1 1 5 ALA CB C 9.760 -4.070 7.274 1.00 . A A . 5 ALA CB 1 1
5 774 1 1 5 ALA H H 7.760 -3.698 5.766 1.00 . A A . 5 ALA H 1 1
5 775 1 1 5 ALA HA H 9.347 -1.990 7.364 1.00 . A A . 5 ALA HA 1 1
5 776 1 1 5 ALA HB1 H 10.830 -4.205 7.334 1.00 . A A . 5 ALA HB1 1 1
5 777 1 1 5 ALA HB2 H 9.327 -4.875 6.700 1.00 . A A . 5 ALA HB2 1 1
5 778 1 1 5 ALA HB3 H 9.340 -4.071 8.269 1.00 . A A . 5 ALA HB3 1 1
5 779 1 1 5 ALA N N 8.196 -2.826 5.867 1.00 . A A . 5 ALA N 1 1
5 780 1 1 5 ALA O O 11.183 -1.269 5.818 1.00 . A A . 5 ALA O 1 1
5 781 1 1 6 ARG C C 11.732 -1.679 2.986 1.00 . A A . 6 ARG C 1 1
5 782 1 1 6 ARG CA C 12.001 -2.955 3.778 1.00 . A A . 6 ARG CA 1 1
5 783 1 1 6 ARG CB C 12.171 -4.138 2.824 1.00 . A A . 6 ARG CB 1 1
5 784 1 1 6 ARG CD C 11.888 -6.574 3.396 1.00 . A A . 6 ARG CD 1 1
5 785 1 1 6 ARG CG C 12.800 -5.360 3.476 1.00 . A A . 6 ARG CG 1 1
5 786 1 1 6 ARG CZ C 13.339 -8.520 3.830 1.00 . A A . 6 ARG CZ 1 1
5 787 1 1 6 ARG H H 10.424 -4.060 4.659 1.00 . A A . 6 ARG H 1 1
5 788 1 1 6 ARG HA H 12.913 -2.827 4.344 1.00 . A A . 6 ARG HA 1 1
5 789 1 1 6 ARG HB2 H 11.202 -4.417 2.439 1.00 . A A . 6 ARG HB2 1 1
5 790 1 1 6 ARG HB3 H 12.801 -3.832 2.000 1.00 . A A . 6 ARG HB3 1 1
5 791 1 1 6 ARG HD2 H 11.443 -6.740 4.366 1.00 . A A . 6 ARG HD2 1 1
5 792 1 1 6 ARG HD3 H 11.110 -6.379 2.673 1.00 . A A . 6 ARG HD3 1 1
5 793 1 1 6 ARG HE H 12.559 -8.048 2.055 1.00 . A A . 6 ARG HE 1 1
5 794 1 1 6 ARG HG2 H 13.728 -5.587 2.973 1.00 . A A . 6 ARG HG2 1 1
5 795 1 1 6 ARG HG3 H 12.998 -5.138 4.515 1.00 . A A . 6 ARG HG3 1 1
5 796 1 1 6 ARG HH11 H 12.966 -7.377 5.457 1.00 . A A . 6 ARG HH11 1 1
5 797 1 1 6 ARG HH12 H 13.983 -8.750 5.732 1.00 . A A . 6 ARG HH12 1 1
5 798 1 1 6 ARG HH21 H 13.898 -9.852 2.417 1.00 . A A . 6 ARG HH21 1 1
5 799 1 1 6 ARG HH22 H 14.514 -10.155 4.007 1.00 . A A . 6 ARG HH22 1 1
5 800 1 1 6 ARG N N 10.923 -3.218 4.724 1.00 . A A . 6 ARG N 1 1
5 801 1 1 6 ARG NE N 12.614 -7.778 2.996 1.00 . A A . 6 ARG NE 1 1
5 802 1 1 6 ARG NH1 N 13.437 -8.188 5.111 1.00 . A A . 6 ARG NH1 1 1
5 803 1 1 6 ARG NH2 N 13.968 -9.597 3.381 1.00 . A A . 6 ARG NH2 1 1
5 804 1 1 6 ARG O O 12.657 -0.941 2.647 1.00 . A A . 6 ARG O 1 1
5 805 1 1 7 ALA C C 10.225 1.022 2.788 1.00 . A A . 7 ALA C 1 1
5 806 1 1 7 ALA CA C 10.071 -0.238 1.944 1.00 . A A . 7 ALA CA 1 1
5 807 1 1 7 ALA CB C 8.637 -0.372 1.453 1.00 . A A . 7 ALA CB 1 1
5 808 1 1 7 ALA H H 9.768 -2.051 2.994 1.00 . A A . 7 ALA H 1 1
5 809 1 1 7 ALA HA H 10.716 -0.164 1.081 1.00 . A A . 7 ALA HA 1 1
5 810 1 1 7 ALA HB1 H 8.454 -1.393 1.151 1.00 . A A . 7 ALA HB1 1 1
5 811 1 1 7 ALA HB2 H 8.482 0.286 0.611 1.00 . A A . 7 ALA HB2 1 1
5 812 1 1 7 ALA HB3 H 7.958 -0.104 2.249 1.00 . A A . 7 ALA HB3 1 1
5 813 1 1 7 ALA N N 10.461 -1.425 2.695 1.00 . A A . 7 ALA N 1 1
5 814 1 1 7 ALA O O 10.664 2.062 2.295 1.00 . A A . 7 ALA O 1 1
5 815 1 1 8 ALA C C 11.399 2.324 5.379 1.00 . A A . 8 ALA C 1 1
5 816 1 1 8 ALA CA C 9.953 2.058 4.974 1.00 . A A . 8 ALA CA 1 1
5 817 1 1 8 ALA CB C 9.095 1.814 6.207 1.00 . A A . 8 ALA CB 1 1
5 818 1 1 8 ALA H H 9.514 0.070 4.396 1.00 . A A . 8 ALA H 1 1
5 819 1 1 8 ALA HA H 9.567 2.929 4.464 1.00 . A A . 8 ALA HA 1 1
5 820 1 1 8 ALA HB1 H 9.127 2.684 6.846 1.00 . A A . 8 ALA HB1 1 1
5 821 1 1 8 ALA HB2 H 9.474 0.957 6.744 1.00 . A A . 8 ALA HB2 1 1
5 822 1 1 8 ALA HB3 H 8.075 1.627 5.904 1.00 . A A . 8 ALA HB3 1 1
5 823 1 1 8 ALA N N 9.858 0.925 4.062 1.00 . A A . 8 ALA N 1 1
5 824 1 1 8 ALA O O 11.815 3.475 5.511 1.00 . A A . 8 ALA O 1 1
5 825 1 1 9 ARG C C 14.342 2.203 4.963 1.00 . A A . 9 ARG C 1 1
5 826 1 1 9 ARG CA C 13.561 1.369 5.970 1.00 . A A . 9 ARG CA 1 1
5 827 1 1 9 ARG CB C 14.192 -0.019 6.099 1.00 . A A . 9 ARG CB 1 1
5 828 1 1 9 ARG CD C 16.702 -0.233 6.131 1.00 . A A . 9 ARG CD 1 1
5 829 1 1 9 ARG CG C 15.443 -0.042 6.964 1.00 . A A . 9 ARG CG 1 1
5 830 1 1 9 ARG CZ C 17.099 -2.665 6.142 1.00 . A A . 9 ARG CZ 1 1
5 831 1 1 9 ARG H H 11.770 0.361 5.458 1.00 . A A . 9 ARG H 1 1
5 832 1 1 9 ARG HA H 13.596 1.860 6.926 1.00 . A A . 9 ARG HA 1 1
5 833 1 1 9 ARG HB2 H 13.467 -0.691 6.535 1.00 . A A . 9 ARG HB2 1 1
5 834 1 1 9 ARG HB3 H 14.453 -0.376 5.114 1.00 . A A . 9 ARG HB3 1 1
5 835 1 1 9 ARG HD2 H 16.423 -0.313 5.090 1.00 . A A . 9 ARG HD2 1 1
5 836 1 1 9 ARG HD3 H 17.340 0.628 6.265 1.00 . A A . 9 ARG HD3 1 1
5 837 1 1 9 ARG HE H 18.226 -1.317 7.089 1.00 . A A . 9 ARG HE 1 1
5 838 1 1 9 ARG HG2 H 15.517 0.893 7.498 1.00 . A A . 9 ARG HG2 1 1
5 839 1 1 9 ARG HG3 H 15.364 -0.856 7.671 1.00 . A A . 9 ARG HG3 1 1
5 840 1 1 9 ARG HH11 H 15.488 -2.085 5.066 1.00 . A A . 9 ARG HH11 1 1
5 841 1 1 9 ARG HH12 H 15.789 -3.790 5.090 1.00 . A A . 9 ARG HH12 1 1
5 842 1 1 9 ARG HH21 H 18.623 -3.559 7.123 1.00 . A A . 9 ARG HH21 1 1
5 843 1 1 9 ARG HH22 H 17.569 -4.628 6.259 1.00 . A A . 9 ARG HH22 1 1
5 844 1 1 9 ARG N N 12.160 1.252 5.577 1.00 . A A . 9 ARG N 1 1
5 845 1 1 9 ARG NE N 17.438 -1.434 6.518 1.00 . A A . 9 ARG NE 1 1
5 846 1 1 9 ARG NH1 N 16.038 -2.863 5.369 1.00 . A A . 9 ARG NH1 1 1
5 847 1 1 9 ARG NH2 N 17.823 -3.702 6.541 1.00 . A A . 9 ARG NH2 1 1
5 848 1 1 9 ARG O O 14.829 3.288 5.280 1.00 . A A . 9 ARG O 1 1
5 849 1 1 10 ALA C C 14.495 3.693 2.318 1.00 . A A . 10 ALA C 1 1
5 850 1 1 10 ALA CA C 15.175 2.376 2.684 1.00 . A A . 10 ALA CA 1 1
5 851 1 1 10 ALA CB C 15.286 1.481 1.458 1.00 . A A . 10 ALA CB 1 1
5 852 1 1 10 ALA H H 14.042 0.819 3.562 1.00 . A A . 10 ALA H 1 1
5 853 1 1 10 ALA HA H 16.173 2.585 3.039 1.00 . A A . 10 ALA HA 1 1
5 854 1 1 10 ALA HB1 H 15.273 2.090 0.566 1.00 . A A . 10 ALA HB1 1 1
5 855 1 1 10 ALA HB2 H 14.453 0.794 1.437 1.00 . A A . 10 ALA HB2 1 1
5 856 1 1 10 ALA HB3 H 16.211 0.925 1.501 1.00 . A A . 10 ALA HB3 1 1
5 857 1 1 10 ALA N N 14.455 1.687 3.747 1.00 . A A . 10 ALA N 1 1
5 858 1 1 10 ALA O O 15.130 4.600 1.778 1.00 . A A . 10 ALA O 1 1
5 859 1 1 11 ALA C C 13.043 6.223 2.991 1.00 . A A . 11 ALA C 1 1
5 860 1 1 11 ALA CA C 12.440 4.998 2.311 1.00 . A A . 11 ALA CA 1 1
5 861 1 1 11 ALA CB C 10.989 4.821 2.733 1.00 . A A . 11 ALA CB 1 1
5 862 1 1 11 ALA H H 12.749 3.037 3.040 1.00 . A A . 11 ALA H 1 1
5 863 1 1 11 ALA HA H 12.461 5.147 1.241 1.00 . A A . 11 ALA HA 1 1
5 864 1 1 11 ALA HB1 H 10.584 5.776 3.035 1.00 . A A . 11 ALA HB1 1 1
5 865 1 1 11 ALA HB2 H 10.938 4.130 3.560 1.00 . A A . 11 ALA HB2 1 1
5 866 1 1 11 ALA HB3 H 10.417 4.434 1.903 1.00 . A A . 11 ALA HB3 1 1
5 867 1 1 11 ALA N N 13.202 3.793 2.612 1.00 . A A . 11 ALA N 1 1
5 868 1 1 11 ALA O O 13.529 7.137 2.326 1.00 . A A . 11 ALA O 1 1
5 869 1 1 12 ARG C C 15.043 7.180 5.324 1.00 . A A . 12 ARG C 1 1
5 870 1 1 12 ARG CA C 13.547 7.352 5.088 1.00 . A A . 12 ARG CA 1 1
5 871 1 1 12 ARG CB C 12.817 7.480 6.428 1.00 . A A . 12 ARG CB 1 1
5 872 1 1 12 ARG CD C 12.153 9.866 6.856 1.00 . A A . 12 ARG CD 1 1
5 873 1 1 12 ARG CG C 11.682 8.491 6.409 1.00 . A A . 12 ARG CG 1 1
5 874 1 1 12 ARG CZ C 10.515 10.574 8.554 1.00 . A A . 12 ARG CZ 1 1
5 875 1 1 12 ARG H H 12.603 5.480 4.795 1.00 . A A . 12 ARG H 1 1
5 876 1 1 12 ARG HA H 13.389 8.252 4.516 1.00 . A A . 12 ARG HA 1 1
5 877 1 1 12 ARG HB2 H 12.408 6.517 6.695 1.00 . A A . 12 ARG HB2 1 1
5 878 1 1 12 ARG HB3 H 13.526 7.782 7.184 1.00 . A A . 12 ARG HB3 1 1
5 879 1 1 12 ARG HD2 H 13.232 9.899 6.802 1.00 . A A . 12 ARG HD2 1 1
5 880 1 1 12 ARG HD3 H 11.738 10.608 6.190 1.00 . A A . 12 ARG HD3 1 1
5 881 1 1 12 ARG HE H 12.409 10.072 8.932 1.00 . A A . 12 ARG HE 1 1
5 882 1 1 12 ARG HG2 H 11.294 8.564 5.404 1.00 . A A . 12 ARG HG2 1 1
5 883 1 1 12 ARG HG3 H 10.901 8.154 7.076 1.00 . A A . 12 ARG HG3 1 1
5 884 1 1 12 ARG HH11 H 9.792 10.516 6.666 1.00 . A A . 12 ARG HH11 1 1
5 885 1 1 12 ARG HH12 H 8.662 11.018 7.878 1.00 . A A . 12 ARG HH12 1 1
5 886 1 1 12 ARG HH21 H 10.924 10.733 10.527 1.00 . A A . 12 ARG HH21 1 1
5 887 1 1 12 ARG HH22 H 9.304 11.141 10.070 1.00 . A A . 12 ARG HH22 1 1
5 888 1 1 12 ARG N N 13.006 6.236 4.320 1.00 . A A . 12 ARG N 1 1
5 889 1 1 12 ARG NE N 11.739 10.171 8.223 1.00 . A A . 12 ARG NE 1 1
5 890 1 1 12 ARG NH1 N 9.580 10.714 7.623 1.00 . A A . 12 ARG NH1 1 1
5 891 1 1 12 ARG NH2 N 10.224 10.837 9.821 1.00 . A A . 12 ARG NH2 1 1
5 892 1 1 12 ARG O O 15.820 8.122 5.169 1.00 . A A . 12 ARG O 1 1
5 893 1 1 13 ALA C C 17.657 5.699 4.673 1.00 . A A . 13 ALA C 1 1
5 894 1 1 13 ALA CA C 16.840 5.670 5.960 1.00 . A A . 13 ALA CA 1 1
5 895 1 1 13 ALA CB C 16.970 4.316 6.642 1.00 . A A . 13 ALA CB 1 1
5 896 1 1 13 ALA H H 14.768 5.264 5.806 1.00 . A A . 13 ALA H 1 1
5 897 1 1 13 ALA HA H 17.222 6.423 6.634 1.00 . A A . 13 ALA HA 1 1
5 898 1 1 13 ALA HB1 H 17.783 4.347 7.352 1.00 . A A . 13 ALA HB1 1 1
5 899 1 1 13 ALA HB2 H 17.168 3.556 5.900 1.00 . A A . 13 ALA HB2 1 1
5 900 1 1 13 ALA HB3 H 16.050 4.083 7.158 1.00 . A A . 13 ALA HB3 1 1
5 901 1 1 13 ALA N N 15.437 5.971 5.700 1.00 . A A . 13 ALA N 1 1
5 902 1 1 13 ALA O O 18.840 6.038 4.685 1.00 . A A . 13 ALA O 1 1
5 903 1 1 14 NH2 HN1 H 16.082 5.084 3.628 1.00 . A A . 14 NH2 HN1 1 1
5 904 1 1 14 NH2 HN2 H 17.526 5.355 2.720 1.00 . A A . 14 NH2 HN2 1 1
5 905 1 1 14 NH2 N N 17.024 5.343 3.562 1.00 . A A . 14 NH2 N 1 1
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