NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
623161 |
6b35   |
30347 | cing | 4-filtered-FRED | STAR | entry | full | 40 |
data_FRED_restraints_with_modified_coordinates_PDB_code_6b35
# This FRED archive file contains, for PDB entry <6b35>:
#
# - 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_6b35
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 6b35
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 1293.53
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 $Tyrocidine_A_analogue__D_PHE_BE2_PHE_D_PHE_ASN_LYS_TYR_VAL_ORN_LE A . 1 1
stop_
save_
save_Tyrocidine_A_analogue__D_PHE_BE2_PHE_D_PHE_ASN_LYS_TYR_VAL_ORN_LE
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "Tyrocidine A analogue D PHE BE2 PHE D PHE ASN LYS TYR VAL ORN LE"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code XXFXNKYVXL
_Entity.Number_of_monomers 10
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 . $. 1 1
2 BE2 $BE2 1 1
3 PHE . 1 1
4 . $. 1 1
5 ASN . 1 1
6 LYS . 1 1
7 TYR . 1 1
8 VAL . 1 1
9 ORN $ORN 1 1
10 LEU . 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
. 1 1 1 1
BE2 2 2 1 1
PHE 3 3 1 1
. 4 4 1 1
ASN 5 5 1 1
LYS 6 6 1 1
TYR 7 7 1 1
VAL 8 8 1 1
ORN 9 9 1 1
LEU 10 10 1 1
stop_
save_
save_ORN
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID ORN
_Chem_comp.Type non-polymer
save_
save_BE2
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID BE2
_Chem_comp.Type non-polymer
save_
save_.
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID .
_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
30 1 . . . 1 1
31 1 . . . 1 1
32 1 . . . 1 1
33 1 . . . 1 1
34 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 8 VAL H . 8 . HN 1 1
1 1 2 1 1 8 VAL HA . 8 . HA 1 1
2 1 1 1 1 7 TYR HA . 7 . HA 1 1
2 1 2 1 1 7 TYR HB3 . 7 . HB1 1 1
3 1 1 1 1 7 TYR HA . 7 . HA 1 1
3 1 2 1 1 7 TYR HB2 . 7 . HB2 1 1
4 1 1 1 1 7 TYR HA . 7 . HA 1 1
4 1 2 1 1 8 VAL H . 8 . HN 1 1
5 1 1 1 1 6 LYS HA . 6 . HA 1 1
5 1 2 1 1 7 TYR H . 7 . HN 1 1
6 1 1 1 1 6 LYS H . 6 . HN 1 1
6 1 2 1 1 6 LYS HA . 6 . HA 1 1
7 1 1 1 1 5 ASN HA . 5 . HA 1 1
7 1 2 1 1 6 LYS H . 6 . HN 1 1
8 1 1 1 1 5 ASN H . 5 . HN 1 1
8 1 2 1 1 5 ASN HA . 5 . HA 1 1
9 1 1 1 1 7 TYR HB3 . 7 . HB1 1 1
9 1 2 1 1 8 VAL H . 8 . HN 1 1
10 1 1 1 1 7 TYR HB2 . 7 . HB2 1 1
10 1 2 1 1 8 VAL H . 8 . HN 1 1
11 1 1 1 1 8 VAL H . 8 . HN 1 1
11 1 2 1 1 8 VAL QG . 8 . HG1# 1 1
12 1 1 1 1 8 VAL H . 8 . HN 1 1
12 1 2 1 1 8 VAL HB . 8 . HB 1 1
13 1 1 1 1 5 ASN H . 5 . HN 1 1
13 1 2 1 1 5 ASN HB3 . 5 . HB1 1 1
14 1 1 1 1 5 ASN H . 5 . HN 1 1
14 1 2 1 1 5 ASN HB2 . 5 . HB2 1 1
15 1 1 1 1 10 LEU H . 10 . HN 1 1
15 1 2 1 1 10 LEU QB . 10 . HB2 1 1
16 1 1 1 1 5 ASN H . 5 . HN 1 1
16 1 2 1 1 8 VAL HB . 8 . HB 1 1
17 1 1 1 1 5 ASN H . 5 . HN 1 1
17 1 2 1 1 9 ORN HA . 9 . HA 1 1
18 1 1 1 1 10 LEU H . 10 . HN 1 1
18 1 2 1 1 10 LEU HA . 10 . HA 1 1
19 1 1 1 1 7 TYR HB2 . 7 . HB2 1 1
19 1 2 1 1 7 TYR QD . 7 . HD# 1 1
20 1 1 1 1 7 TYR HB3 . 7 . HB1 1 1
20 1 2 1 1 7 TYR QD . 7 . HD# 1 1
21 1 1 1 1 5 ASN HD21 . 5 . HD22 1 1
21 1 2 1 1 8 VAL QG . 8 . HG1# 1 1
22 1 1 1 1 5 ASN HB2 . 5 . HB2 1 1
22 1 2 1 1 5 ASN HD21 . 5 . HD22 1 1
23 1 1 1 1 5 ASN HA . 5 . HA 1 1
23 1 2 1 1 5 ASN HB3 . 5 . HB1 1 1
24 1 1 1 1 5 ASN HA . 5 . HA 1 1
24 1 2 1 1 5 ASN HB2 . 5 . HB2 1 1
25 1 1 1 1 8 VAL HA . 8 . HA 1 1
25 1 2 1 1 8 VAL HB . 8 . HB 1 1
26 1 1 1 1 9 ORN HA . 9 . HA 1 1
26 1 2 1 1 9 ORN HB2 . 9 . HB2 1 1
27 1 1 1 1 10 LEU HA . 10 . HA 1 1
27 1 2 1 1 10 LEU QB . 10 . HB2 1 1
28 1 1 1 1 10 LEU HA . 10 . HA 1 1
28 1 2 1 1 10 LEU MD1 . 10 . HD1# 1 1
29 1 1 1 1 10 LEU HA . 10 . HA 1 1
29 1 2 1 1 10 LEU MD2 . 10 . HD2# 1 1
30 1 1 1 1 8 VAL HA . 8 . HA 1 1
30 1 2 1 1 8 VAL QG . 8 . HG1# 1 1
31 1 1 1 1 7 TYR HA . 7 . HA 1 1
31 1 2 1 1 7 TYR QD . 7 . HD# 1 1
32 1 1 1 1 5 ASN HB2 . 5 . HB2 1 1
32 1 2 1 1 5 ASN HD22 . 5 . HD21 1 1
33 1 1 1 1 9 ORN HB2 . 9 . HB2 1 1
33 1 2 1 1 10 LEU H . 10 . HN 1 1
34 1 1 1 1 5 ASN H . 5 . HN 1 1
34 1 2 1 1 8 VAL H . 8 . 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 . . . . . 2.9 2.3 3.5 1 1
2 1 . . . . . 2.4 1.9 2.9 1 1
3 1 . . . . . 2.9 2.3 3.5 1 1
4 1 . . . . . 3.1 2.5 3.7 1 1
5 1 . . . . . 3.0 2.4 3.6 1 1
6 1 . . . . . 2.7 2.2 3.2 1 1
7 1 . . . . . 2.4 1.9 2.9 1 1
8 1 . . . . . 2.9 2.3 3.5 1 1
9 1 . . . . . 3.6 2.9 4.3 1 1
10 1 . . . . . 3.0 2.4 3.6 1 1
11 1 . . . . . 2.8 2.2 3.4 1 1
12 1 . . . . . 2.9 2.3 3.5 1 1
13 1 . . . . . 3.7 3.0 4.4 1 1
14 1 . . . . . 3.3 2.6 4.0 1 1
15 1 . . . . . 2.6 2.1 3.1 1 1
16 1 . . . . . 4.5 3.6 5.4 1 1
17 1 . . . . . 4.0 3.2 4.8 1 1
18 1 . . . . . 2.4 1.9 2.9 1 1
19 1 . . . . . 2.4 1.9 2.9 1 1
20 1 . . . . . 2.5 2.0 3.0 1 1
21 1 . . . . . 3.6 2.9 4.3 1 1
22 1 . . . . . 4.1 3.3 4.9 1 1
23 1 . . . . . 2.6 2.1 3.1 1 1
24 1 . . . . . 2.5 2.0 3.0 1 1
25 1 . . . . . 2.7 2.2 3.2 1 1
26 1 . . . . . 3.0 2.4 3.6 1 1
27 1 . . . . . 2.3 1.8 2.8 1 1
28 1 . . . . . 2.5 2.0 3.0 1 1
29 1 . . . . . 2.9 2.3 3.5 1 1
30 1 . . . . . 2.4 1.9 2.9 1 1
31 1 . . . . . 2.5 2.0 3.0 1 1
32 1 . . . . . 2.8 2.2 3.4 1 1
33 1 . . . . . 3.7 3.0 4.4 1 1
34 1 . . . . . 4.0 3.2 4.8 1 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4_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
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 5 ASN N . 5 . N 1 2
1 1 2 1 1 8 VAL C . 8 . C 1 2
2 1 1 1 1 5 ASN H . 5 . HN 1 2
2 1 2 1 1 8 VAL O . 8 . O 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 . . . . . 2.85 1.7 4.0 1 2
2 1 . . . . . 1.9 1.8 2.0 1 2
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID 1
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID .
_Torsion_angle_constraint_list.Block_ID .
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . 1 1 2 BE2 C 1 1 3 PHE N 1 1 3 PHE CA 1 1 3 PHE C -155.0 -85.0 . 2 . C . 3 . N . 3 . CA . 3 . C 1 1
2 . 1 1 5 ASN C 1 1 6 LYS N 1 1 6 LYS CA 1 1 6 LYS C -80.0 -40.0 . 5 . C . 6 . N . 6 . CA . 6 . C 1 1
3 . 1 1 7 TYR C 1 1 8 VAL N 1 1 8 VAL CA 1 1 8 VAL C -145.0 -95.0 . 7 . C . 8 . N . 8 . CA . 8 . C 1 1
4 . 1 1 9 ORN C 1 1 10 LEU N 1 1 10 LEU CA 1 1 10 LEU C -145.0 -95.0 . 9 . C . 10 . N . 10 . CA . 10 . C 1 1
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 . C C 4.361 4.817 7.115 1.00 . A A . 1 DPN C 1 1
1 2 1 1 1 . CA C 4.916 5.082 5.713 1.00 . A A . 1 DPN CA 1 1
1 3 1 1 1 . CB C 6.390 4.856 5.554 1.00 . A A . 1 DPN CB 1 1
1 4 1 1 1 . CD1 C 7.509 6.969 4.738 1.00 . A A . 1 DPN CD1 1 1
1 5 1 1 1 . CD2 C 7.701 6.390 7.087 1.00 . A A . 1 DPN CD2 1 1
1 6 1 1 1 . CE1 C 8.273 8.143 4.955 1.00 . A A . 1 DPN CE1 1 1
1 7 1 1 1 . CE2 C 8.467 7.563 7.318 1.00 . A A . 1 DPN CE2 1 1
1 8 1 1 1 . CG C 7.218 6.090 5.800 1.00 . A A . 1 DPN CG 1 1
1 9 1 1 1 . CZ C 8.748 8.442 6.248 1.00 . A A . 1 DPN CZ 1 1
1 10 1 1 1 . H1 H 3.499 4.976 4.148 1.00 . A A . 1 DPN H1 1 1
1 11 1 1 1 . HA H 4.806 6.169 5.590 1.00 . A A . 1 DPN HA 1 1
1 12 1 1 1 . HB2 H 6.719 4.041 6.199 1.00 . A A . 1 DPN HB2 1 1
1 13 1 1 1 . HB3 H 6.491 4.577 4.509 1.00 . A A . 1 DPN HB3 1 1
1 14 1 1 1 . HD1 H 7.143 6.750 3.745 1.00 . A A . 1 DPN HD1 1 1
1 15 1 1 1 . HD2 H 7.481 5.726 7.912 1.00 . A A . 1 DPN HD2 1 1
1 16 1 1 1 . HE1 H 8.487 8.810 4.133 1.00 . A A . 1 DPN HE1 1 1
1 17 1 1 1 . HE2 H 8.826 7.788 8.311 1.00 . A A . 1 DPN HE2 1 1
1 18 1 1 1 . HZ H 9.325 9.340 6.420 1.00 . A A . 1 DPN HZ 1 1
1 19 1 1 1 . N N 4.190 4.439 4.594 1.00 . A A . 1 DPN N 1 1
1 20 1 1 1 . O O 4.698 5.536 8.046 1.00 . A A . 1 DPN O 1 1
1 21 1 1 2 BE2 C C 2.076 1.164 7.088 1.00 . A A . 2 BE2 C 1 1
1 22 1 1 2 BE2 C1 C 2.045 2.035 8.345 1.00 . A A . 2 BE2 C1 1 1
1 23 1 1 2 BE2 C2 C 2.745 3.283 8.394 1.00 . A A . 2 BE2 C2 1 1
1 24 1 1 2 BE2 C3 C 2.690 4.048 9.589 1.00 . A A . 2 BE2 C3 1 1
1 25 1 1 2 BE2 C4 C 1.980 3.595 10.705 1.00 . A A . 2 BE2 C4 1 1
1 26 1 1 2 BE2 C5 C 1.305 2.378 10.662 1.00 . A A . 2 BE2 C5 1 1
1 27 1 1 2 BE2 C6 C 1.326 1.604 9.499 1.00 . A A . 2 BE2 C6 1 1
1 28 1 1 2 BE2 H3 H 3.190 5.002 9.667 1.00 . A A . 2 BE2 H3 1 1
1 29 1 1 2 BE2 H4 H 1.955 4.198 11.610 1.00 . A A . 2 BE2 H4 1 1
1 30 1 1 2 BE2 H5 H 0.751 2.037 11.533 1.00 . A A . 2 BE2 H5 1 1
1 31 1 1 2 BE2 H6 H 0.787 0.663 9.508 1.00 . A A . 2 BE2 H6 1 1
1 32 1 1 2 BE2 HN21 H 3.306 3.204 6.388 1.00 . A A . 2 BE2 HN21 1 1
1 33 1 1 2 BE2 N2 N 3.470 3.749 7.232 1.00 . A A . 2 BE2 N2 1 1
1 34 1 1 2 BE2 O1 O 2.714 1.466 6.090 1.00 . A A . 2 BE2 O1 1 1
1 35 1 1 3 PHE C C 0.295 -0.579 5.014 1.00 . A A . 3 PHE C 1 1
1 36 1 1 3 PHE CA C 1.329 -0.976 6.058 1.00 . A A . 3 PHE CA 1 1
1 37 1 1 3 PHE CB C 1.053 -2.392 6.594 1.00 . A A . 3 PHE CB 1 1
1 38 1 1 3 PHE CD1 C -0.215 -2.388 8.788 1.00 . A A . 3 PHE CD1 1 1
1 39 1 1 3 PHE CD2 C -1.455 -2.757 6.733 1.00 . A A . 3 PHE CD2 1 1
1 40 1 1 3 PHE CE1 C -1.414 -2.498 9.537 1.00 . A A . 3 PHE CE1 1 1
1 41 1 1 3 PHE CE2 C -2.659 -2.868 7.472 1.00 . A A . 3 PHE CE2 1 1
1 42 1 1 3 PHE CG C -0.229 -2.510 7.383 1.00 . A A . 3 PHE CG 1 1
1 43 1 1 3 PHE CZ C -2.637 -2.735 8.876 1.00 . A A . 3 PHE CZ 1 1
1 44 1 1 3 PHE H H 0.784 -0.178 7.964 1.00 . A A . 3 PHE H 1 1
1 45 1 1 3 PHE HA H 2.309 -0.970 5.585 1.00 . A A . 3 PHE HA 1 1
1 46 1 1 3 PHE HB2 H 1.013 -3.083 5.753 1.00 . A A . 3 PHE HB2 1 1
1 47 1 1 3 PHE HB3 H 1.881 -2.683 7.239 1.00 . A A . 3 PHE HB3 1 1
1 48 1 1 3 PHE HD1 H 0.718 -2.211 9.302 1.00 . A A . 3 PHE HD1 1 1
1 49 1 1 3 PHE HD2 H -1.483 -2.854 5.656 1.00 . A A . 3 PHE HD2 1 1
1 50 1 1 3 PHE HE1 H -1.391 -2.400 10.613 1.00 . A A . 3 PHE HE1 1 1
1 51 1 1 3 PHE HE2 H -3.593 -3.050 6.959 1.00 . A A . 3 PHE HE2 1 1
1 52 1 1 3 PHE HZ H -3.554 -2.811 9.442 1.00 . A A . 3 PHE HZ 1 1
1 53 1 1 3 PHE N N 1.336 -0.003 7.145 1.00 . A A . 3 PHE N 1 1
1 54 1 1 3 PHE O O -0.774 -0.078 5.345 1.00 . A A . 3 PHE O 1 1
1 55 1 1 4 . C C -1.077 -1.613 2.193 1.00 . A A . 4 DPN C 1 1
1 56 1 1 4 . CA C -0.084 -0.502 2.538 1.00 . A A . 4 DPN CA 1 1
1 57 1 1 4 . CB C -0.713 0.912 2.531 1.00 . A A . 4 DPN CB 1 1
1 58 1 1 4 . CD1 C -3.196 0.678 2.993 1.00 . A A . 4 DPN CD1 1 1
1 59 1 1 4 . CD2 C -2.473 1.272 0.754 1.00 . A A . 4 DPN CD2 1 1
1 60 1 1 4 . CE1 C -4.549 0.713 2.573 1.00 . A A . 4 DPN CE1 1 1
1 61 1 1 4 . CE2 C -3.826 1.320 0.324 1.00 . A A . 4 DPN CE2 1 1
1 62 1 1 4 . CG C -2.153 0.950 2.087 1.00 . A A . 4 DPN CG 1 1
1 63 1 1 4 . CZ C -4.862 1.035 1.236 1.00 . A A . 4 DPN CZ 1 1
1 64 1 1 4 . HA H 0.634 -0.499 1.731 1.00 . A A . 4 DPN HA 1 1
1 65 1 1 4 . HB2 H -0.628 1.367 3.518 1.00 . A A . 4 DPN HB2 1 1
1 66 1 1 4 . HB3 H -0.143 1.526 1.842 1.00 . A A . 4 DPN HB3 1 1
1 67 1 1 4 . HD1 H -2.963 0.432 4.021 1.00 . A A . 4 DPN HD1 1 1
1 68 1 1 4 . HD2 H -1.683 1.494 0.052 1.00 . A A . 4 DPN HD2 1 1
1 69 1 1 4 . HE1 H -5.339 0.497 3.278 1.00 . A A . 4 DPN HE1 1 1
1 70 1 1 4 . HE2 H -4.062 1.580 -0.698 1.00 . A A . 4 DPN HE2 1 1
1 71 1 1 4 . HZ H -5.893 1.070 0.915 1.00 . A A . 4 DPN HZ 1 1
1 72 1 1 4 . N N 0.679 -0.819 3.760 1.00 . A A . 4 DPN N 1 1
1 73 1 1 4 . O O -1.868 -2.058 3.016 1.00 . A A . 4 DPN O 1 1
1 74 1 1 5 ASN C C -1.033 -4.245 -0.134 1.00 . A A . 5 ASN C 1 1
1 75 1 1 5 ASN CA C -1.881 -3.096 0.432 1.00 . A A . 5 ASN CA 1 1
1 76 1 1 5 ASN CB C -2.834 -2.483 -0.615 1.00 . A A . 5 ASN CB 1 1
1 77 1 1 5 ASN CG C -2.106 -1.874 -1.796 1.00 . A A . 5 ASN CG 1 1
1 78 1 1 5 ASN H H -0.280 -1.692 0.333 1.00 . A A . 5 ASN H 1 1
1 79 1 1 5 ASN HA H -2.479 -3.493 1.253 1.00 . A A . 5 ASN HA 1 1
1 80 1 1 5 ASN HB2 H -3.523 -3.245 -0.975 1.00 . A A . 5 ASN HB2 1 1
1 81 1 1 5 ASN HB3 H -3.416 -1.701 -0.129 1.00 . A A . 5 ASN HB3 1 1
1 82 1 1 5 ASN HD21 H -1.848 -0.158 -2.784 1.00 . A A . 5 ASN HD21 1 1
1 83 1 1 5 ASN HD22 H -2.894 -0.079 -1.385 1.00 . A A . 5 ASN HD22 1 1
1 84 1 1 5 ASN N N -0.996 -2.064 0.952 1.00 . A A . 5 ASN N 1 1
1 85 1 1 5 ASN ND2 N -2.296 -0.604 -2.002 1.00 . A A . 5 ASN ND2 1 1
1 86 1 1 5 ASN O O 0.151 -4.351 0.170 1.00 . A A . 5 ASN O 1 1
1 87 1 1 5 ASN OD1 O -1.388 -2.550 -2.517 1.00 . A A . 5 ASN OD1 1 1
1 88 1 1 6 LYS C C 0.270 -5.972 -2.339 1.00 . A A . 6 LYS C 1 1
1 89 1 1 6 LYS CA C -0.974 -6.288 -1.495 1.00 . A A . 6 LYS CA 1 1
1 90 1 1 6 LYS CB C -1.986 -7.085 -2.337 1.00 . A A . 6 LYS CB 1 1
1 91 1 1 6 LYS CD C -2.516 -9.214 -3.653 1.00 . A A . 6 LYS CD 1 1
1 92 1 1 6 LYS CE C -3.716 -9.713 -2.845 1.00 . A A . 6 LYS CE 1 1
1 93 1 1 6 LYS CG C -1.490 -8.472 -2.785 1.00 . A A . 6 LYS CG 1 1
1 94 1 1 6 LYS H H -2.610 -4.950 -1.181 1.00 . A A . 6 LYS H 1 1
1 95 1 1 6 LYS HA H -0.649 -6.914 -0.662 1.00 . A A . 6 LYS HA 1 1
1 96 1 1 6 LYS HB2 H -2.891 -7.215 -1.744 1.00 . A A . 6 LYS HB2 1 1
1 97 1 1 6 LYS HB3 H -2.238 -6.502 -3.224 1.00 . A A . 6 LYS HB3 1 1
1 98 1 1 6 LYS HD2 H -2.864 -8.547 -4.442 1.00 . A A . 6 LYS HD2 1 1
1 99 1 1 6 LYS HD3 H -2.023 -10.070 -4.115 1.00 . A A . 6 LYS HD3 1 1
1 100 1 1 6 LYS HE2 H -3.355 -10.319 -2.009 1.00 . A A . 6 LYS HE2 1 1
1 101 1 1 6 LYS HE3 H -4.265 -8.858 -2.449 1.00 . A A . 6 LYS HE3 1 1
1 102 1 1 6 LYS HG2 H -0.577 -8.347 -3.365 1.00 . A A . 6 LYS HG2 1 1
1 103 1 1 6 LYS HG3 H -1.266 -9.075 -1.906 1.00 . A A . 6 LYS HG3 1 1
1 104 1 1 6 LYS HZ1 H -5.405 -10.891 -3.140 1.00 . A A . 6 LYS HZ1 1 1
1 105 1 1 6 LYS HZ2 H -4.127 -11.328 -4.089 1.00 . A A . 6 LYS HZ2 1 1
1 106 1 1 6 LYS HZ3 H -5.003 -9.980 -4.456 1.00 . A A . 6 LYS HZ3 1 1
1 107 1 1 6 LYS N N -1.646 -5.104 -0.941 1.00 . A A . 6 LYS N 1 1
1 108 1 1 6 LYS NZ N -4.637 -10.544 -3.701 1.00 . A A . 6 LYS NZ 1 1
1 109 1 1 6 LYS O O 1.200 -6.769 -2.378 1.00 . A A . 6 LYS O 1 1
1 110 1 1 7 TYR C C 2.177 -3.251 -3.492 1.00 . A A . 7 TYR C 1 1
1 111 1 1 7 TYR CA C 1.386 -4.488 -3.915 1.00 . A A . 7 TYR CA 1 1
1 112 1 1 7 TYR CB C 0.830 -4.252 -5.321 1.00 . A A . 7 TYR CB 1 1
1 113 1 1 7 TYR CD1 C 0.412 -6.702 -5.890 1.00 . A A . 7 TYR CD1 1 1
1 114 1 1 7 TYR CD2 C -1.388 -5.112 -6.221 1.00 . A A . 7 TYR CD2 1 1
1 115 1 1 7 TYR CE1 C -0.427 -7.749 -6.361 1.00 . A A . 7 TYR CE1 1 1
1 116 1 1 7 TYR CE2 C -2.226 -6.158 -6.696 1.00 . A A . 7 TYR CE2 1 1
1 117 1 1 7 TYR CG C -0.063 -5.374 -5.815 1.00 . A A . 7 TYR CG 1 1
1 118 1 1 7 TYR CZ C -1.733 -7.463 -6.763 1.00 . A A . 7 TYR CZ 1 1
1 119 1 1 7 TYR H H -0.491 -4.183 -2.925 1.00 . A A . 7 TYR H 1 1
1 120 1 1 7 TYR HA H 2.078 -5.328 -3.958 1.00 . A A . 7 TYR HA 1 1
1 121 1 1 7 TYR HB2 H 0.252 -3.329 -5.318 1.00 . A A . 7 TYR HB2 1 1
1 122 1 1 7 TYR HB3 H 1.665 -4.133 -6.012 1.00 . A A . 7 TYR HB3 1 1
1 123 1 1 7 TYR HD1 H 1.426 -6.929 -5.588 1.00 . A A . 7 TYR HD1 1 1
1 124 1 1 7 TYR HD2 H -1.771 -4.102 -6.178 1.00 . A A . 7 TYR HD2 1 1
1 125 1 1 7 TYR HE1 H -0.053 -8.761 -6.417 1.00 . A A . 7 TYR HE1 1 1
1 126 1 1 7 TYR HE2 H -3.236 -5.941 -7.011 1.00 . A A . 7 TYR HE2 1 1
1 127 1 1 7 TYR HH H -3.346 -8.147 -7.628 1.00 . A A . 7 TYR HH 1 1
1 128 1 1 7 TYR N N 0.281 -4.832 -3.016 1.00 . A A . 7 TYR N 1 1
1 129 1 1 7 TYR O O 3.387 -3.191 -3.678 1.00 . A A . 7 TYR O 1 1
1 130 1 1 7 TYR OH O -2.542 -8.474 -7.218 1.00 . A A . 7 TYR OH 1 1
1 131 1 1 8 VAL C C 2.292 -0.954 -1.047 1.00 . A A . 8 VAL C 1 1
1 132 1 1 8 VAL CA C 2.130 -0.998 -2.564 1.00 . A A . 8 VAL CA 1 1
1 133 1 1 8 VAL CB C 1.285 0.202 -3.125 1.00 . A A . 8 VAL CB 1 1
1 134 1 1 8 VAL CG1 C 1.200 1.362 -2.144 1.00 . A A . 8 VAL CG1 1 1
1 135 1 1 8 VAL CG2 C 1.872 0.671 -4.459 1.00 . A A . 8 VAL CG2 1 1
1 136 1 1 8 VAL H H 0.503 -2.360 -2.760 1.00 . A A . 8 VAL H 1 1
1 137 1 1 8 VAL HA H 3.123 -0.955 -3.009 1.00 . A A . 8 VAL HA 1 1
1 138 1 1 8 VAL HB H 0.269 -0.144 -3.310 1.00 . A A . 8 VAL HB 1 1
1 139 1 1 8 VAL HG11 H 0.684 1.031 -1.243 1.00 . A A . 8 VAL HG11 1 1
1 140 1 1 8 VAL HG12 H 0.637 2.179 -2.594 1.00 . A A . 8 VAL HG12 1 1
1 141 1 1 8 VAL HG13 H 2.202 1.714 -1.891 1.00 . A A . 8 VAL HG13 1 1
1 142 1 1 8 VAL HG21 H 1.244 1.457 -4.880 1.00 . A A . 8 VAL HG21 1 1
1 143 1 1 8 VAL HG22 H 1.908 -0.168 -5.157 1.00 . A A . 8 VAL HG22 1 1
1 144 1 1 8 VAL HG23 H 2.882 1.057 -4.306 1.00 . A A . 8 VAL HG23 1 1
1 145 1 1 8 VAL N N 1.496 -2.260 -2.934 1.00 . A A . 8 VAL N 1 1
1 146 1 1 8 VAL O O 1.407 -1.394 -0.315 1.00 . A A . 8 VAL O 1 1
1 147 1 1 9 ORN C C 4.128 1.128 1.193 1.00 . A A . 9 ORN C 1 1
1 148 1 1 9 ORN CA C 3.828 -0.351 0.825 1.00 . A A . 9 ORN CA 1 1
1 149 1 1 9 ORN CB C 5.061 -1.270 1.061 1.00 . A A . 9 ORN CB 1 1
1 150 1 1 9 ORN CD C 5.915 -3.665 1.169 1.00 . A A . 9 ORN CD 1 1
1 151 1 1 9 ORN CG C 4.671 -2.768 0.955 1.00 . A A . 9 ORN CG 1 1
1 152 1 1 9 ORN H H 4.076 -0.028 -1.270 1.00 . A A . 9 ORN H 1 1
1 153 1 1 9 ORN HA H 3.006 -0.702 1.445 1.00 . A A . 9 ORN HA 1 1
1 154 1 1 9 ORN HB2 H 5.825 -1.040 0.314 1.00 . A A . 9 ORN HB2 1 1
1 155 1 1 9 ORN HB3 H 5.476 -1.078 2.052 1.00 . A A . 9 ORN HB3 1 1
1 156 1 1 9 ORN HD2 H 6.551 -3.608 0.282 1.00 . A A . 9 ORN HD2 1 1
1 157 1 1 9 ORN HD3 H 6.478 -3.288 2.028 1.00 . A A . 9 ORN HD3 1 1
1 158 1 1 9 ORN HE1 H 4.887 -5.141 2.190 1.00 . A A . 9 ORN HE1 1 1
1 159 1 1 9 ORN HE2 H 5.132 -5.497 0.595 1.00 . A A . 9 ORN HE2 1 1
1 160 1 1 9 ORN HE3 H 6.376 -5.611 1.666 1.00 . A A . 9 ORN HE3 1 1
1 161 1 1 9 ORN HG2 H 3.921 -3.000 1.714 1.00 . A A . 9 ORN HG2 1 1
1 162 1 1 9 ORN HG3 H 4.247 -2.952 -0.039 1.00 . A A . 9 ORN HG3 1 1
1 163 1 1 9 ORN N N 3.434 -0.428 -0.600 1.00 . A A . 9 ORN N 1 1
1 164 1 1 9 ORN NE N 5.546 -5.085 1.422 1.00 . A A . 9 ORN NE 1 1
1 165 1 1 9 ORN O O 4.493 1.912 0.308 1.00 . A A . 9 ORN O 1 1
1 166 1 1 10 LEU C C 4.430 3.235 4.070 1.00 . A A . 10 LEU C 1 1
1 167 1 1 10 LEU CA C 3.627 2.923 2.810 1.00 . A A . 10 LEU CA 1 1
1 168 1 1 10 LEU CB C 2.139 3.242 3.008 1.00 . A A . 10 LEU CB 1 1
1 169 1 1 10 LEU CD1 C 2.092 5.691 2.279 1.00 . A A . 10 LEU CD1 1 1
1 170 1 1 10 LEU CD2 C 1.496 3.902 0.628 1.00 . A A . 10 LEU CD2 1 1
1 171 1 1 10 LEU CG C 1.465 4.302 2.108 1.00 . A A . 10 LEU CG 1 1
1 172 1 1 10 LEU H H 3.625 0.859 3.143 1.00 . A A . 10 LEU H 1 1
1 173 1 1 10 LEU HA H 4.005 3.522 2.016 1.00 . A A . 10 LEU HA 1 1
1 174 1 1 10 LEU HB2 H 1.614 2.319 2.859 1.00 . A A . 10 LEU HB2 1 1
1 175 1 1 10 LEU HB3 H 1.973 3.527 4.045 1.00 . A A . 10 LEU HB3 1 1
1 176 1 1 10 LEU HD11 H 1.556 6.408 1.655 1.00 . A A . 10 LEU HD11 1 1
1 177 1 1 10 LEU HD12 H 3.141 5.672 1.977 1.00 . A A . 10 LEU HD12 1 1
1 178 1 1 10 LEU HD13 H 2.011 6.005 3.319 1.00 . A A . 10 LEU HD13 1 1
1 179 1 1 10 LEU HD21 H 2.516 3.935 0.245 1.00 . A A . 10 LEU HD21 1 1
1 180 1 1 10 LEU HD22 H 0.878 4.593 0.054 1.00 . A A . 10 LEU HD22 1 1
1 181 1 1 10 LEU HD23 H 1.099 2.895 0.513 1.00 . A A . 10 LEU HD23 1 1
1 182 1 1 10 LEU HG H 0.421 4.372 2.409 1.00 . A A . 10 LEU HG 1 1
1 183 1 1 10 LEU N N 3.783 1.523 2.424 1.00 . A A . 10 LEU N 1 1
1 184 1 1 10 LEU O O 5.210 2.402 4.524 1.00 . A A . 10 LEU O 1 1
2 185 1 1 1 . C C 3.971 5.141 7.033 1.00 . A A . 1 DPN C 1 1
2 186 1 1 1 . CA C 4.674 5.286 5.681 1.00 . A A . 1 DPN CA 1 1
2 187 1 1 1 . CB C 6.121 4.901 5.671 1.00 . A A . 1 DPN CB 1 1
2 188 1 1 1 . CD1 C 7.488 6.991 5.282 1.00 . A A . 1 DPN CD1 1 1
2 189 1 1 1 . CD2 C 7.454 6.021 7.506 1.00 . A A . 1 DPN CD2 1 1
2 190 1 1 1 . CE1 C 8.345 8.025 5.738 1.00 . A A . 1 DPN CE1 1 1
2 191 1 1 1 . CE2 C 8.311 7.051 7.976 1.00 . A A . 1 DPN CE2 1 1
2 192 1 1 1 . CG C 7.039 5.986 6.162 1.00 . A A . 1 DPN CG 1 1
2 193 1 1 1 . CZ C 8.756 8.054 7.087 1.00 . A A . 1 DPN CZ 1 1
2 194 1 1 1 . H1 H 3.377 5.219 4.019 1.00 . A A . 1 DPN H1 1 1
2 195 1 1 1 . HA H 4.682 6.370 5.497 1.00 . A A . 1 DPN HA 1 1
2 196 1 1 1 . HB2 H 6.273 3.990 6.250 1.00 . A A . 1 DPN HB2 1 1
2 197 1 1 1 . HB3 H 6.315 4.713 4.616 1.00 . A A . 1 DPN HB3 1 1
2 198 1 1 1 . HD1 H 7.178 6.977 4.248 1.00 . A A . 1 DPN HD1 1 1
2 199 1 1 1 . HD2 H 7.109 5.261 8.194 1.00 . A A . 1 DPN HD2 1 1
2 200 1 1 1 . HE1 H 8.675 8.795 5.055 1.00 . A A . 1 DPN HE1 1 1
2 201 1 1 1 . HE2 H 8.616 7.070 9.012 1.00 . A A . 1 DPN HE2 1 1
2 202 1 1 1 . HZ H 9.401 8.844 7.441 1.00 . A A . 1 DPN HZ 1 1
2 203 1 1 1 . N N 3.979 4.649 4.543 1.00 . A A . 1 DPN N 1 1
2 204 1 1 1 . O O 4.171 5.967 7.912 1.00 . A A . 1 DPN O 1 1
2 205 1 1 2 BE2 C C 1.635 1.508 6.965 1.00 . A A . 2 BE2 C 1 1
2 206 1 1 2 BE2 C1 C 1.574 2.396 8.213 1.00 . A A . 2 BE2 C1 1 1
2 207 1 1 2 BE2 C2 C 2.310 3.623 8.285 1.00 . A A . 2 BE2 C2 1 1
2 208 1 1 2 BE2 C3 C 2.218 4.406 9.466 1.00 . A A . 2 BE2 C3 1 1
2 209 1 1 2 BE2 C4 C 1.435 3.992 10.548 1.00 . A A . 2 BE2 C4 1 1
2 210 1 1 2 BE2 C5 C 0.717 2.800 10.480 1.00 . A A . 2 BE2 C5 1 1
2 211 1 1 2 BE2 C6 C 0.775 2.008 9.330 1.00 . A A . 2 BE2 C6 1 1
2 212 1 1 2 BE2 H3 H 2.747 5.342 9.563 1.00 . A A . 2 BE2 H3 1 1
2 213 1 1 2 BE2 H4 H 1.379 4.608 11.442 1.00 . A A . 2 BE2 H4 1 1
2 214 1 1 2 BE2 H5 H 0.104 2.490 11.323 1.00 . A A . 2 BE2 H5 1 1
2 215 1 1 2 BE2 H6 H 0.194 1.093 9.315 1.00 . A A . 2 BE2 H6 1 1
2 216 1 1 2 BE2 HN21 H 3.051 3.430 6.350 1.00 . A A . 2 BE2 HN21 1 1
2 217 1 1 2 BE2 N2 N 3.118 4.042 7.161 1.00 . A A . 2 BE2 N2 1 1
2 218 1 1 2 BE2 O1 O 2.301 1.797 5.985 1.00 . A A . 2 BE2 O1 1 1
2 219 1 1 3 PHE C C -0.197 -0.108 4.900 1.00 . A A . 3 PHE C 1 1
2 220 1 1 3 PHE CA C 0.846 -0.592 5.892 1.00 . A A . 3 PHE CA 1 1
2 221 1 1 3 PHE CB C 0.499 -2.004 6.376 1.00 . A A . 3 PHE CB 1 1
2 222 1 1 3 PHE CD1 C 1.695 -3.740 4.971 1.00 . A A . 3 PHE CD1 1 1
2 223 1 1 3 PHE CD2 C -0.649 -3.301 4.530 1.00 . A A . 3 PHE CD2 1 1
2 224 1 1 3 PHE CE1 C 1.717 -4.698 3.921 1.00 . A A . 3 PHE CE1 1 1
2 225 1 1 3 PHE CE2 C -0.640 -4.250 3.480 1.00 . A A . 3 PHE CE2 1 1
2 226 1 1 3 PHE CG C 0.515 -3.035 5.277 1.00 . A A . 3 PHE CG 1 1
2 227 1 1 3 PHE CZ C 0.545 -4.945 3.173 1.00 . A A . 3 PHE CZ 1 1
2 228 1 1 3 PHE H H 0.327 0.173 7.821 1.00 . A A . 3 PHE H 1 1
2 229 1 1 3 PHE HA H 1.819 -0.608 5.407 1.00 . A A . 3 PHE HA 1 1
2 230 1 1 3 PHE HB2 H 1.218 -2.296 7.141 1.00 . A A . 3 PHE HB2 1 1
2 231 1 1 3 PHE HB3 H -0.494 -1.986 6.827 1.00 . A A . 3 PHE HB3 1 1
2 232 1 1 3 PHE HD1 H 2.595 -3.548 5.539 1.00 . A A . 3 PHE HD1 1 1
2 233 1 1 3 PHE HD2 H -1.563 -2.766 4.754 1.00 . A A . 3 PHE HD2 1 1
2 234 1 1 3 PHE HE1 H 2.622 -5.236 3.694 1.00 . A A . 3 PHE HE1 1 1
2 235 1 1 3 PHE HE2 H -1.539 -4.433 2.912 1.00 . A A . 3 PHE HE2 1 1
2 236 1 1 3 PHE HZ H 0.557 -5.664 2.366 1.00 . A A . 3 PHE HZ 1 1
2 237 1 1 3 PHE N N 0.878 0.355 7.004 1.00 . A A . 3 PHE N 1 1
2 238 1 1 3 PHE O O -1.288 0.277 5.298 1.00 . A A . 3 PHE O 1 1
2 239 1 1 4 . C C -1.550 -0.786 1.991 1.00 . A A . 4 DPN C 1 1
2 240 1 1 4 . CA C -0.593 0.306 2.465 1.00 . A A . 4 DPN CA 1 1
2 241 1 1 4 . CB C -1.294 1.674 2.660 1.00 . A A . 4 DPN CB 1 1
2 242 1 1 4 . CD1 C -3.113 1.929 0.923 1.00 . A A . 4 DPN CD1 1 1
2 243 1 1 4 . CD2 C -3.756 1.438 3.211 1.00 . A A . 4 DPN CD2 1 1
2 244 1 1 4 . CE1 C -4.474 1.924 0.531 1.00 . A A . 4 DPN CE1 1 1
2 245 1 1 4 . CE2 C -5.122 1.432 2.832 1.00 . A A . 4 DPN CE2 1 1
2 246 1 1 4 . CG C -2.746 1.680 2.260 1.00 . A A . 4 DPN CG 1 1
2 247 1 1 4 . CZ C -5.479 1.669 1.487 1.00 . A A . 4 DPN CZ 1 1
2 248 1 1 4 . HA H 0.120 0.457 1.658 1.00 . A A . 4 DPN HA 1 1
2 249 1 1 4 . HB2 H -1.195 2.003 3.695 1.00 . A A . 4 DPN HB2 1 1
2 250 1 1 4 . HB3 H -0.779 2.404 2.041 1.00 . A A . 4 DPN HB3 1 1
2 251 1 1 4 . HD1 H -2.348 2.124 0.184 1.00 . A A . 4 DPN HD1 1 1
2 252 1 1 4 . HD2 H -3.486 1.246 4.242 1.00 . A A . 4 DPN HD2 1 1
2 253 1 1 4 . HE1 H -4.743 2.117 -0.497 1.00 . A A . 4 DPN HE1 1 1
2 254 1 1 4 . HE2 H -5.885 1.236 3.569 1.00 . A A . 4 DPN HE2 1 1
2 255 1 1 4 . HZ H -6.520 1.667 1.195 1.00 . A A . 4 DPN HZ 1 1
2 256 1 1 4 . N N 0.187 -0.156 3.626 1.00 . A A . 4 DPN N 1 1
2 257 1 1 4 . O O -2.362 -1.313 2.746 1.00 . A A . 4 DPN O 1 1
2 258 1 1 5 ASN C C -1.511 -3.405 -0.151 1.00 . A A . 5 ASN C 1 1
2 259 1 1 5 ASN CA C -2.311 -2.135 0.118 1.00 . A A . 5 ASN CA 1 1
2 260 1 1 5 ASN CB C -2.967 -1.602 -1.174 1.00 . A A . 5 ASN CB 1 1
2 261 1 1 5 ASN CG C -1.967 -1.367 -2.287 1.00 . A A . 5 ASN CG 1 1
2 262 1 1 5 ASN H H -0.697 -0.709 0.154 1.00 . A A . 5 ASN H 1 1
2 263 1 1 5 ASN HA H -3.106 -2.376 0.824 1.00 . A A . 5 ASN HA 1 1
2 264 1 1 5 ASN HB2 H -3.711 -2.320 -1.507 1.00 . A A . 5 ASN HB2 1 1
2 265 1 1 5 ASN HB3 H -3.481 -0.664 -0.956 1.00 . A A . 5 ASN HB3 1 1
2 266 1 1 5 ASN HD21 H -1.579 -1.759 -4.211 1.00 . A A . 5 ASN HD21 1 1
2 267 1 1 5 ASN HD22 H -3.069 -2.431 -3.602 1.00 . A A . 5 ASN HD22 1 1
2 268 1 1 5 ASN N N -1.430 -1.135 0.724 1.00 . A A . 5 ASN N 1 1
2 269 1 1 5 ASN ND2 N -2.230 -1.902 -3.454 1.00 . A A . 5 ASN ND2 1 1
2 270 1 1 5 ASN O O -0.319 -3.467 0.112 1.00 . A A . 5 ASN O 1 1
2 271 1 1 5 ASN OD1 O -0.968 -0.721 -2.091 1.00 . A A . 5 ASN OD1 1 1
2 272 1 1 6 LYS C C -0.224 -5.714 -1.659 1.00 . A A . 6 LYS C 1 1
2 273 1 1 6 LYS CA C -1.572 -5.735 -0.923 1.00 . A A . 6 LYS CA 1 1
2 274 1 1 6 LYS CB C -2.566 -6.605 -1.709 1.00 . A A . 6 LYS CB 1 1
2 275 1 1 6 LYS CD C -3.162 -8.857 -2.661 1.00 . A A . 6 LYS CD 1 1
2 276 1 1 6 LYS CE C -2.696 -10.299 -2.843 1.00 . A A . 6 LYS CE 1 1
2 277 1 1 6 LYS CG C -2.157 -8.072 -1.832 1.00 . A A . 6 LYS CG 1 1
2 278 1 1 6 LYS H H -3.154 -4.299 -0.909 1.00 . A A . 6 LYS H 1 1
2 279 1 1 6 LYS HA H -1.394 -6.207 0.046 1.00 . A A . 6 LYS HA 1 1
2 280 1 1 6 LYS HB2 H -3.534 -6.558 -1.210 1.00 . A A . 6 LYS HB2 1 1
2 281 1 1 6 LYS HB3 H -2.675 -6.190 -2.710 1.00 . A A . 6 LYS HB3 1 1
2 282 1 1 6 LYS HD2 H -4.132 -8.845 -2.164 1.00 . A A . 6 LYS HD2 1 1
2 283 1 1 6 LYS HD3 H -3.256 -8.386 -3.638 1.00 . A A . 6 LYS HD3 1 1
2 284 1 1 6 LYS HE2 H -1.668 -10.296 -3.214 1.00 . A A . 6 LYS HE2 1 1
2 285 1 1 6 LYS HE3 H -2.717 -10.808 -1.875 1.00 . A A . 6 LYS HE3 1 1
2 286 1 1 6 LYS HG2 H -1.184 -8.132 -2.315 1.00 . A A . 6 LYS HG2 1 1
2 287 1 1 6 LYS HG3 H -2.086 -8.515 -0.837 1.00 . A A . 6 LYS HG3 1 1
2 288 1 1 6 LYS HZ1 H -4.526 -11.029 -3.505 1.00 . A A . 6 LYS HZ1 1 1
2 289 1 1 6 LYS HZ2 H -3.252 -12.003 -3.893 1.00 . A A . 6 LYS HZ2 1 1
2 290 1 1 6 LYS HZ3 H -3.503 -10.603 -4.731 1.00 . A A . 6 LYS HZ3 1 1
2 291 1 1 6 LYS N N -2.181 -4.420 -0.680 1.00 . A A . 6 LYS N 1 1
2 292 1 1 6 LYS NZ N -3.564 -11.044 -3.820 1.00 . A A . 6 LYS NZ 1 1
2 293 1 1 6 LYS O O 0.633 -6.542 -1.381 1.00 . A A . 6 LYS O 1 1
2 294 1 1 7 TYR C C 2.118 -3.574 -3.116 1.00 . A A . 7 TYR C 1 1
2 295 1 1 7 TYR CA C 1.186 -4.754 -3.393 1.00 . A A . 7 TYR CA 1 1
2 296 1 1 7 TYR CB C 0.818 -4.774 -4.878 1.00 . A A . 7 TYR CB 1 1
2 297 1 1 7 TYR CD1 C 0.284 -7.266 -4.986 1.00 . A A . 7 TYR CD1 1 1
2 298 1 1 7 TYR CD2 C -1.335 -5.697 -5.877 1.00 . A A . 7 TYR CD2 1 1
2 299 1 1 7 TYR CE1 C -0.570 -8.349 -5.334 1.00 . A A . 7 TYR CE1 1 1
2 300 1 1 7 TYR CE2 C -2.189 -6.779 -6.230 1.00 . A A . 7 TYR CE2 1 1
2 301 1 1 7 TYR CG C -0.091 -5.931 -5.252 1.00 . A A . 7 TYR CG 1 1
2 302 1 1 7 TYR CZ C -1.796 -8.092 -5.953 1.00 . A A . 7 TYR CZ 1 1
2 303 1 1 7 TYR H H -0.752 -4.103 -2.768 1.00 . A A . 7 TYR H 1 1
2 304 1 1 7 TYR HA H 1.752 -5.661 -3.184 1.00 . A A . 7 TYR HA 1 1
2 305 1 1 7 TYR HB2 H 0.316 -3.839 -5.127 1.00 . A A . 7 TYR HB2 1 1
2 306 1 1 7 TYR HB3 H 1.732 -4.841 -5.465 1.00 . A A . 7 TYR HB3 1 1
2 307 1 1 7 TYR HD1 H 1.238 -7.472 -4.514 1.00 . A A . 7 TYR HD1 1 1
2 308 1 1 7 TYR HD2 H -1.641 -4.685 -6.101 1.00 . A A . 7 TYR HD2 1 1
2 309 1 1 7 TYR HE1 H -0.268 -9.364 -5.131 1.00 . A A . 7 TYR HE1 1 1
2 310 1 1 7 TYR HE2 H -3.135 -6.587 -6.713 1.00 . A A . 7 TYR HE2 1 1
2 311 1 1 7 TYR HH H -3.342 -8.863 -6.869 1.00 . A A . 7 TYR HH 1 1
2 312 1 1 7 TYR N N -0.041 -4.787 -2.592 1.00 . A A . 7 TYR N 1 1
2 313 1 1 7 TYR O O 3.243 -3.561 -3.599 1.00 . A A . 7 TYR O 1 1
2 314 1 1 7 TYR OH O -2.628 -9.134 -6.284 1.00 . A A . 7 TYR OH 1 1
2 315 1 1 8 VAL C C 2.376 -1.088 -0.542 1.00 . A A . 8 VAL C 1 1
2 316 1 1 8 VAL CA C 2.492 -1.427 -2.034 1.00 . A A . 8 VAL CA 1 1
2 317 1 1 8 VAL CB C 2.119 -0.221 -2.975 1.00 . A A . 8 VAL CB 1 1
2 318 1 1 8 VAL CG1 C 1.969 1.091 -2.211 1.00 . A A . 8 VAL CG1 1 1
2 319 1 1 8 VAL CG2 C 3.174 -0.071 -4.075 1.00 . A A . 8 VAL CG2 1 1
2 320 1 1 8 VAL H H 0.747 -2.626 -1.952 1.00 . A A . 8 VAL H 1 1
2 321 1 1 8 VAL HA H 3.534 -1.682 -2.226 1.00 . A A . 8 VAL HA 1 1
2 322 1 1 8 VAL HB H 1.168 -0.446 -3.451 1.00 . A A . 8 VAL HB 1 1
2 323 1 1 8 VAL HG11 H 1.750 1.896 -2.911 1.00 . A A . 8 VAL HG11 1 1
2 324 1 1 8 VAL HG12 H 2.888 1.323 -1.673 1.00 . A A . 8 VAL HG12 1 1
2 325 1 1 8 VAL HG13 H 1.138 1.001 -1.511 1.00 . A A . 8 VAL HG13 1 1
2 326 1 1 8 VAL HG21 H 4.138 0.187 -3.635 1.00 . A A . 8 VAL HG21 1 1
2 327 1 1 8 VAL HG22 H 2.872 0.716 -4.767 1.00 . A A . 8 VAL HG22 1 1
2 328 1 1 8 VAL HG23 H 3.267 -1.010 -4.625 1.00 . A A . 8 VAL HG23 1 1
2 329 1 1 8 VAL N N 1.668 -2.592 -2.346 1.00 . A A . 8 VAL N 1 1
2 330 1 1 8 VAL O O 1.284 -0.991 0.025 1.00 . A A . 8 VAL O 1 1
2 331 1 1 9 ORN C C 3.879 1.003 1.551 1.00 . A A . 9 ORN C 1 1
2 332 1 1 9 ORN CA C 3.715 -0.533 1.476 1.00 . A A . 9 ORN CA 1 1
2 333 1 1 9 ORN CB C 4.957 -1.266 2.063 1.00 . A A . 9 ORN CB 1 1
2 334 1 1 9 ORN CD C 5.943 -3.481 2.803 1.00 . A A . 9 ORN CD 1 1
2 335 1 1 9 ORN CG C 4.665 -2.768 2.299 1.00 . A A . 9 ORN CG 1 1
2 336 1 1 9 ORN H H 4.387 -0.974 -0.489 1.00 . A A . 9 ORN H 1 1
2 337 1 1 9 ORN HA H 2.827 -0.821 2.039 1.00 . A A . 9 ORN HA 1 1
2 338 1 1 9 ORN HB2 H 5.792 -1.163 1.365 1.00 . A A . 9 ORN HB2 1 1
2 339 1 1 9 ORN HB3 H 5.244 -0.807 3.011 1.00 . A A . 9 ORN HB3 1 1
2 340 1 1 9 ORN HD2 H 6.637 -3.602 1.968 1.00 . A A . 9 ORN HD2 1 1
2 341 1 1 9 ORN HD3 H 6.422 -2.854 3.562 1.00 . A A . 9 ORN HD3 1 1
2 342 1 1 9 ORN HE1 H 6.498 -5.200 3.791 1.00 . A A . 9 ORN HE1 1 1
2 343 1 1 9 ORN HE2 H 4.961 -4.716 4.135 1.00 . A A . 9 ORN HE2 1 1
2 344 1 1 9 ORN HE3 H 5.300 -5.446 2.691 1.00 . A A . 9 ORN HE3 1 1
2 345 1 1 9 ORN HG2 H 3.875 -2.867 3.047 1.00 . A A . 9 ORN HG2 1 1
2 346 1 1 9 ORN HG3 H 4.334 -3.220 1.359 1.00 . A A . 9 ORN HG3 1 1
2 347 1 1 9 ORN N N 3.550 -0.934 0.070 1.00 . A A . 9 ORN N 1 1
2 348 1 1 9 ORN NE N 5.649 -4.813 3.398 1.00 . A A . 9 ORN NE 1 1
2 349 1 1 9 ORN O O 4.409 1.613 0.612 1.00 . A A . 9 ORN O 1 1
2 350 1 1 10 LEU C C 4.147 3.400 4.106 1.00 . A A . 10 LEU C 1 1
2 351 1 1 10 LEU CA C 3.390 3.048 2.830 1.00 . A A . 10 LEU CA 1 1
2 352 1 1 10 LEU CB C 1.934 3.528 2.874 1.00 . A A . 10 LEU CB 1 1
2 353 1 1 10 LEU CD1 C 2.222 5.813 1.777 1.00 . A A . 10 LEU CD1 1 1
2 354 1 1 10 LEU CD2 C 1.500 3.851 0.386 1.00 . A A . 10 LEU CD2 1 1
2 355 1 1 10 LEU CG C 1.439 4.496 1.778 1.00 . A A . 10 LEU CG 1 1
2 356 1 1 10 LEU H H 3.080 1.071 3.413 1.00 . A A . 10 LEU H 1 1
2 357 1 1 10 LEU HA H 3.881 3.494 2.002 1.00 . A A . 10 LEU HA 1 1
2 358 1 1 10 LEU HB2 H 1.329 2.645 2.815 1.00 . A A . 10 LEU HB2 1 1
2 359 1 1 10 LEU HB3 H 1.734 3.982 3.841 1.00 . A A . 10 LEU HB3 1 1
2 360 1 1 10 LEU HD11 H 2.136 6.292 2.752 1.00 . A A . 10 LEU HD11 1 1
2 361 1 1 10 LEU HD12 H 1.803 6.480 1.022 1.00 . A A . 10 LEU HD12 1 1
2 362 1 1 10 LEU HD13 H 3.272 5.630 1.546 1.00 . A A . 10 LEU HD13 1 1
2 363 1 1 10 LEU HD21 H 1.014 4.507 -0.337 1.00 . A A . 10 LEU HD21 1 1
2 364 1 1 10 LEU HD22 H 0.979 2.893 0.402 1.00 . A A . 10 LEU HD22 1 1
2 365 1 1 10 LEU HD23 H 2.535 3.693 0.084 1.00 . A A . 10 LEU HD23 1 1
2 366 1 1 10 LEU HG H 0.397 4.727 1.991 1.00 . A A . 10 LEU HG 1 1
2 367 1 1 10 LEU N N 3.420 1.606 2.651 1.00 . A A . 10 LEU N 1 1
2 368 1 1 10 LEU O O 4.835 2.540 4.656 1.00 . A A . 10 LEU O 1 1
3 369 1 1 1 . C C 3.351 4.562 6.966 1.00 . A A . 1 DPN C 1 1
3 370 1 1 1 . CA C 4.072 4.894 5.660 1.00 . A A . 1 DPN CA 1 1
3 371 1 1 1 . CB C 5.558 4.697 5.694 1.00 . A A . 1 DPN CB 1 1
3 372 1 1 1 . CD1 C 6.730 5.825 7.635 1.00 . A A . 1 DPN CD1 1 1
3 373 1 1 1 . CD2 C 6.578 7.002 5.517 1.00 . A A . 1 DPN CD2 1 1
3 374 1 1 1 . CE1 C 7.418 6.930 8.204 1.00 . A A . 1 DPN CE1 1 1
3 375 1 1 1 . CE2 C 7.262 8.113 6.075 1.00 . A A . 1 DPN CE2 1 1
3 376 1 1 1 . CG C 6.304 5.858 6.294 1.00 . A A . 1 DPN CG 1 1
3 377 1 1 1 . CZ C 7.679 8.075 7.421 1.00 . A A . 1 DPN CZ 1 1
3 378 1 1 1 . H1 H 2.888 4.879 3.906 1.00 . A A . 1 DPN H1 1 1
3 379 1 1 1 . HA H 3.962 5.985 5.583 1.00 . A A . 1 DPN HA 1 1
3 380 1 1 1 . HB2 H 5.809 3.778 6.225 1.00 . A A . 1 DPN HB2 1 1
3 381 1 1 1 . HB3 H 5.825 4.605 4.643 1.00 . A A . 1 DPN HB3 1 1
3 382 1 1 1 . HD1 H 6.525 4.955 8.242 1.00 . A A . 1 DPN HD1 1 1
3 383 1 1 1 . HD2 H 6.256 7.039 4.486 1.00 . A A . 1 DPN HD2 1 1
3 384 1 1 1 . HE1 H 7.732 6.896 9.237 1.00 . A A . 1 DPN HE1 1 1
3 385 1 1 1 . HE2 H 7.458 8.986 5.472 1.00 . A A . 1 DPN HE2 1 1
3 386 1 1 1 . HZ H 8.194 8.922 7.852 1.00 . A A . 1 DPN HZ 1 1
3 387 1 1 1 . N N 3.518 4.316 4.413 1.00 . A A . 1 DPN N 1 1
3 388 1 1 1 . O O 3.292 5.406 7.846 1.00 . A A . 1 DPN O 1 1
3 389 1 1 2 BE2 C C 1.511 0.645 6.662 1.00 . A A . 2 BE2 C 1 1
3 390 1 1 2 BE2 C1 C 1.376 1.432 7.966 1.00 . A A . 2 BE2 C1 1 1
3 391 1 1 2 BE2 C2 C 2.005 2.708 8.140 1.00 . A A . 2 BE2 C2 1 1
3 392 1 1 2 BE2 C3 C 1.837 3.382 9.381 1.00 . A A . 2 BE2 C3 1 1
3 393 1 1 2 BE2 C4 C 1.068 2.829 10.409 1.00 . A A . 2 BE2 C4 1 1
3 394 1 1 2 BE2 C5 C 0.450 1.597 10.238 1.00 . A A . 2 BE2 C5 1 1
3 395 1 1 2 BE2 C6 C 0.597 0.897 9.038 1.00 . A A . 2 BE2 C6 1 1
3 396 1 1 2 BE2 H3 H 2.296 4.341 9.569 1.00 . A A . 2 BE2 H3 1 1
3 397 1 1 2 BE2 H4 H 0.950 3.370 11.345 1.00 . A A . 2 BE2 H4 1 1
3 398 1 1 2 BE2 H5 H -0.150 1.176 11.041 1.00 . A A . 2 BE2 H5 1 1
3 399 1 1 2 BE2 H6 H 0.107 -0.063 8.952 1.00 . A A . 2 BE2 H6 1 1
3 400 1 1 2 BE2 HN21 H 2.910 2.682 6.255 1.00 . A A . 2 BE2 HN21 1 1
3 401 1 1 2 BE2 N2 N 2.782 3.290 7.059 1.00 . A A . 2 BE2 N2 1 1
3 402 1 1 2 BE2 O1 O 2.261 0.979 5.756 1.00 . A A . 2 BE2 O1 1 1
3 403 1 1 3 PHE C C -0.230 -0.786 4.375 1.00 . A A . 3 PHE C 1 1
3 404 1 1 3 PHE CA C 0.723 -1.367 5.405 1.00 . A A . 3 PHE CA 1 1
3 405 1 1 3 PHE CB C 0.253 -2.771 5.800 1.00 . A A . 3 PHE CB 1 1
3 406 1 1 3 PHE CD1 C 0.672 -3.411 8.211 1.00 . A A . 3 PHE CD1 1 1
3 407 1 1 3 PHE CD2 C 2.315 -4.042 6.539 1.00 . A A . 3 PHE CD2 1 1
3 408 1 1 3 PHE CE1 C 1.455 -4.022 9.222 1.00 . A A . 3 PHE CE1 1 1
3 409 1 1 3 PHE CE2 C 3.108 -4.659 7.541 1.00 . A A . 3 PHE CE2 1 1
3 410 1 1 3 PHE CG C 1.097 -3.415 6.867 1.00 . A A . 3 PHE CG 1 1
3 411 1 1 3 PHE CZ C 2.675 -4.644 8.886 1.00 . A A . 3 PHE CZ 1 1
3 412 1 1 3 PHE H H 0.099 -0.680 7.328 1.00 . A A . 3 PHE H 1 1
3 413 1 1 3 PHE HA H 1.727 -1.417 4.993 1.00 . A A . 3 PHE HA 1 1
3 414 1 1 3 PHE HB2 H -0.774 -2.708 6.161 1.00 . A A . 3 PHE HB2 1 1
3 415 1 1 3 PHE HB3 H 0.266 -3.405 4.913 1.00 . A A . 3 PHE HB3 1 1
3 416 1 1 3 PHE HD1 H -0.266 -2.943 8.478 1.00 . A A . 3 PHE HD1 1 1
3 417 1 1 3 PHE HD2 H 2.647 -4.060 5.512 1.00 . A A . 3 PHE HD2 1 1
3 418 1 1 3 PHE HE1 H 1.115 -4.017 10.248 1.00 . A A . 3 PHE HE1 1 1
3 419 1 1 3 PHE HE2 H 4.036 -5.143 7.279 1.00 . A A . 3 PHE HE2 1 1
3 420 1 1 3 PHE HZ H 3.272 -5.117 9.652 1.00 . A A . 3 PHE HZ 1 1
3 421 1 1 3 PHE N N 0.714 -0.477 6.563 1.00 . A A . 3 PHE N 1 1
3 422 1 1 3 PHE O O -1.332 -0.388 4.723 1.00 . A A . 3 PHE O 1 1
3 423 1 1 4 . C C -1.378 -1.233 1.334 1.00 . A A . 4 DPN C 1 1
3 424 1 1 4 . CA C -0.447 -0.195 1.951 1.00 . A A . 4 DPN CA 1 1
3 425 1 1 4 . CB C -1.147 1.165 2.196 1.00 . A A . 4 DPN CB 1 1
3 426 1 1 4 . CD1 C -3.031 1.433 0.523 1.00 . A A . 4 DPN CD1 1 1
3 427 1 1 4 . CD2 C -3.593 0.953 2.835 1.00 . A A . 4 DPN CD2 1 1
3 428 1 1 4 . CE1 C -4.407 1.447 0.185 1.00 . A A . 4 DPN CE1 1 1
3 429 1 1 4 . CE2 C -4.971 0.965 2.510 1.00 . A A . 4 DPN CE2 1 1
3 430 1 1 4 . CG C -2.616 1.180 1.846 1.00 . A A . 4 DPN CG 1 1
3 431 1 1 4 . CZ C -5.378 1.212 1.183 1.00 . A A . 4 DPN CZ 1 1
3 432 1 1 4 . HA H 0.323 -0.004 1.209 1.00 . A A . 4 DPN HA 1 1
3 433 1 1 4 . HB2 H -1.022 1.465 3.233 1.00 . A A . 4 DPN HB2 1 1
3 434 1 1 4 . HB3 H -0.656 1.909 1.577 1.00 . A A . 4 DPN HB3 1 1
3 435 1 1 4 . HD1 H -2.293 1.617 -0.245 1.00 . A A . 4 DPN HD1 1 1
3 436 1 1 4 . HD2 H -3.290 0.767 3.854 1.00 . A A . 4 DPN HD2 1 1
3 437 1 1 4 . HE1 H -4.714 1.646 -0.831 1.00 . A A . 4 DPN HE1 1 1
3 438 1 1 4 . HE2 H -5.709 0.793 3.280 1.00 . A A . 4 DPN HE2 1 1
3 439 1 1 4 . HZ H -6.429 1.230 0.933 1.00 . A A . 4 DPN HZ 1 1
3 440 1 1 4 . N N 0.245 -0.752 3.132 1.00 . A A . 4 DPN N 1 1
3 441 1 1 4 . O O -2.192 -1.859 2.011 1.00 . A A . 4 DPN O 1 1
3 442 1 1 5 ASN C C -1.286 -3.617 -0.980 1.00 . A A . 5 ASN C 1 1
3 443 1 1 5 ASN CA C -2.095 -2.360 -0.693 1.00 . A A . 5 ASN CA 1 1
3 444 1 1 5 ASN CB C -2.654 -1.733 -1.987 1.00 . A A . 5 ASN CB 1 1
3 445 1 1 5 ASN CG C -1.572 -1.356 -2.972 1.00 . A A . 5 ASN CG 1 1
3 446 1 1 5 ASN H H -0.499 -0.929 -0.473 1.00 . A A . 5 ASN H 1 1
3 447 1 1 5 ASN HA H -2.937 -2.634 -0.057 1.00 . A A . 5 ASN HA 1 1
3 448 1 1 5 ASN HB2 H -3.340 -2.436 -2.452 1.00 . A A . 5 ASN HB2 1 1
3 449 1 1 5 ASN HB3 H -3.218 -0.835 -1.730 1.00 . A A . 5 ASN HB3 1 1
3 450 1 1 5 ASN HD21 H -0.908 -1.662 -4.835 1.00 . A A . 5 ASN HD21 1 1
3 451 1 1 5 ASN HD22 H -2.352 -2.546 -4.408 1.00 . A A . 5 ASN HD22 1 1
3 452 1 1 5 ASN N N -1.237 -1.427 0.035 1.00 . A A . 5 ASN N 1 1
3 453 1 1 5 ASN ND2 N -1.619 -1.906 -4.162 1.00 . A A . 5 ASN ND2 1 1
3 454 1 1 5 ASN O O -0.117 -3.701 -0.638 1.00 . A A . 5 ASN O 1 1
3 455 1 1 5 ASN OD1 O -0.708 -0.578 -2.660 1.00 . A A . 5 ASN OD1 1 1
3 456 1 1 6 LYS C C 0.067 -5.868 -2.551 1.00 . A A . 6 LYS C 1 1
3 457 1 1 6 LYS CA C -1.295 -5.909 -1.858 1.00 . A A . 6 LYS CA 1 1
3 458 1 1 6 LYS CB C -2.233 -6.785 -2.704 1.00 . A A . 6 LYS CB 1 1
3 459 1 1 6 LYS CD C -4.206 -7.086 -1.100 1.00 . A A . 6 LYS CD 1 1
3 460 1 1 6 LYS CE C -5.003 -8.099 -0.265 1.00 . A A . 6 LYS CE 1 1
3 461 1 1 6 LYS CG C -3.091 -7.773 -1.902 1.00 . A A . 6 LYS CG 1 1
3 462 1 1 6 LYS H H -2.873 -4.462 -1.902 1.00 . A A . 6 LYS H 1 1
3 463 1 1 6 LYS HA H -1.140 -6.402 -0.897 1.00 . A A . 6 LYS HA 1 1
3 464 1 1 6 LYS HB2 H -2.885 -6.142 -3.296 1.00 . A A . 6 LYS HB2 1 1
3 465 1 1 6 LYS HB3 H -1.618 -7.364 -3.395 1.00 . A A . 6 LYS HB3 1 1
3 466 1 1 6 LYS HD2 H -3.765 -6.352 -0.425 1.00 . A A . 6 LYS HD2 1 1
3 467 1 1 6 LYS HD3 H -4.882 -6.576 -1.785 1.00 . A A . 6 LYS HD3 1 1
3 468 1 1 6 LYS HE2 H -4.321 -8.599 0.425 1.00 . A A . 6 LYS HE2 1 1
3 469 1 1 6 LYS HE3 H -5.753 -7.559 0.320 1.00 . A A . 6 LYS HE3 1 1
3 470 1 1 6 LYS HG2 H -3.543 -8.479 -2.597 1.00 . A A . 6 LYS HG2 1 1
3 471 1 1 6 LYS HG3 H -2.447 -8.325 -1.216 1.00 . A A . 6 LYS HG3 1 1
3 472 1 1 6 LYS HZ1 H -6.206 -9.778 -0.521 1.00 . A A . 6 LYS HZ1 1 1
3 473 1 1 6 LYS HZ2 H -5.010 -9.653 -1.650 1.00 . A A . 6 LYS HZ2 1 1
3 474 1 1 6 LYS HZ3 H -6.342 -8.684 -1.747 1.00 . A A . 6 LYS HZ3 1 1
3 475 1 1 6 LYS N N -1.922 -4.601 -1.604 1.00 . A A . 6 LYS N 1 1
3 476 1 1 6 LYS NZ N -5.697 -9.137 -1.115 1.00 . A A . 6 LYS NZ 1 1
3 477 1 1 6 LYS O O 0.866 -6.771 -2.359 1.00 . A A . 6 LYS O 1 1
3 478 1 1 7 TYR C C 2.476 -3.599 -3.769 1.00 . A A . 7 TYR C 1 1
3 479 1 1 7 TYR CA C 1.563 -4.773 -4.123 1.00 . A A . 7 TYR CA 1 1
3 480 1 1 7 TYR CB C 1.214 -4.712 -5.608 1.00 . A A . 7 TYR CB 1 1
3 481 1 1 7 TYR CD1 C -1.037 -5.399 -6.586 1.00 . A A . 7 TYR CD1 1 1
3 482 1 1 7 TYR CD2 C 0.452 -7.139 -5.791 1.00 . A A . 7 TYR CD2 1 1
3 483 1 1 7 TYR CE1 C -1.996 -6.385 -6.946 1.00 . A A . 7 TYR CE1 1 1
3 484 1 1 7 TYR CE2 C -0.511 -8.124 -6.138 1.00 . A A . 7 TYR CE2 1 1
3 485 1 1 7 TYR CG C 0.196 -5.767 -6.004 1.00 . A A . 7 TYR CG 1 1
3 486 1 1 7 TYR CZ C -1.722 -7.738 -6.711 1.00 . A A . 7 TYR CZ 1 1
3 487 1 1 7 TYR H H -0.355 -4.113 -3.461 1.00 . A A . 7 TYR H 1 1
3 488 1 1 7 TYR HA H 2.128 -5.688 -3.948 1.00 . A A . 7 TYR HA 1 1
3 489 1 1 7 TYR HB2 H 0.801 -3.729 -5.832 1.00 . A A . 7 TYR HB2 1 1
3 490 1 1 7 TYR HB3 H 2.122 -4.850 -6.191 1.00 . A A . 7 TYR HB3 1 1
3 491 1 1 7 TYR HD1 H -1.252 -4.356 -6.769 1.00 . A A . 7 TYR HD1 1 1
3 492 1 1 7 TYR HD2 H 1.391 -7.449 -5.348 1.00 . A A . 7 TYR HD2 1 1
3 493 1 1 7 TYR HE1 H -2.932 -6.093 -7.396 1.00 . A A . 7 TYR HE1 1 1
3 494 1 1 7 TYR HE2 H -0.303 -9.171 -5.970 1.00 . A A . 7 TYR HE2 1 1
3 495 1 1 7 TYR HH H -3.394 -8.333 -7.531 1.00 . A A . 7 TYR HH 1 1
3 496 1 1 7 TYR N N 0.318 -4.845 -3.355 1.00 . A A . 7 TYR N 1 1
3 497 1 1 7 TYR O O 3.608 -3.540 -4.229 1.00 . A A . 7 TYR O 1 1
3 498 1 1 7 TYR OH O -2.649 -8.691 -7.045 1.00 . A A . 7 TYR OH 1 1
3 499 1 1 8 VAL C C 2.610 -1.199 -1.093 1.00 . A A . 8 VAL C 1 1
3 500 1 1 8 VAL CA C 2.776 -1.487 -2.594 1.00 . A A . 8 VAL CA 1 1
3 501 1 1 8 VAL CB C 2.398 -0.265 -3.512 1.00 . A A . 8 VAL CB 1 1
3 502 1 1 8 VAL CG1 C 2.204 1.025 -2.723 1.00 . A A . 8 VAL CG1 1 1
3 503 1 1 8 VAL CG2 C 3.473 -0.063 -4.586 1.00 . A A . 8 VAL CG2 1 1
3 504 1 1 8 VAL H H 1.059 -2.728 -2.602 1.00 . A A . 8 VAL H 1 1
3 505 1 1 8 VAL HA H 3.827 -1.714 -2.766 1.00 . A A . 8 VAL HA 1 1
3 506 1 1 8 VAL HB H 1.461 -0.497 -4.016 1.00 . A A . 8 VAL HB 1 1
3 507 1 1 8 VAL HG11 H 1.951 1.834 -3.407 1.00 . A A . 8 VAL HG11 1 1
3 508 1 1 8 VAL HG12 H 3.114 1.279 -2.185 1.00 . A A . 8 VAL HG12 1 1
3 509 1 1 8 VAL HG13 H 1.380 0.893 -2.021 1.00 . A A . 8 VAL HG13 1 1
3 510 1 1 8 VAL HG21 H 3.600 -0.986 -5.156 1.00 . A A . 8 VAL HG21 1 1
3 511 1 1 8 VAL HG22 H 4.422 0.204 -4.117 1.00 . A A . 8 VAL HG22 1 1
3 512 1 1 8 VAL HG23 H 3.167 0.734 -5.264 1.00 . A A . 8 VAL HG23 1 1
3 513 1 1 8 VAL N N 1.988 -2.659 -2.966 1.00 . A A . 8 VAL N 1 1
3 514 1 1 8 VAL O O 1.497 -1.149 -0.555 1.00 . A A . 8 VAL O 1 1
3 515 1 1 9 ORN C C 3.723 0.951 1.028 1.00 . A A . 9 ORN C 1 1
3 516 1 1 9 ORN CA C 3.888 -0.586 0.954 1.00 . A A . 9 ORN CA 1 1
3 517 1 1 9 ORN CB C 5.288 -1.013 1.490 1.00 . A A . 9 ORN CB 1 1
3 518 1 1 9 ORN CD C 6.689 -2.917 2.451 1.00 . A A . 9 ORN CD 1 1
3 519 1 1 9 ORN CG C 5.285 -2.484 1.976 1.00 . A A . 9 ORN CG 1 1
3 520 1 1 9 ORN H H 4.615 -1.074 -0.983 1.00 . A A . 9 ORN H 1 1
3 521 1 1 9 ORN HA H 3.108 -1.053 1.554 1.00 . A A . 9 ORN HA 1 1
3 522 1 1 9 ORN HB2 H 6.027 -0.893 0.694 1.00 . A A . 9 ORN HB2 1 1
3 523 1 1 9 ORN HB3 H 5.571 -0.363 2.319 1.00 . A A . 9 ORN HB3 1 1
3 524 1 1 9 ORN HD2 H 6.690 -3.999 2.605 1.00 . A A . 9 ORN HD2 1 1
3 525 1 1 9 ORN HD3 H 7.420 -2.677 1.675 1.00 . A A . 9 ORN HD3 1 1
3 526 1 1 9 ORN HE1 H 6.417 -2.482 4.449 1.00 . A A . 9 ORN HE1 1 1
3 527 1 1 9 ORN HE2 H 8.002 -2.550 3.999 1.00 . A A . 9 ORN HE2 1 1
3 528 1 1 9 ORN HE3 H 7.082 -1.242 3.589 1.00 . A A . 9 ORN HE3 1 1
3 529 1 1 9 ORN HG2 H 4.574 -2.596 2.797 1.00 . A A . 9 ORN HG2 1 1
3 530 1 1 9 ORN HG3 H 4.977 -3.131 1.152 1.00 . A A . 9 ORN HG3 1 1
3 531 1 1 9 ORN N N 3.764 -1.035 -0.443 1.00 . A A . 9 ORN N 1 1
3 532 1 1 9 ORN NE N 7.076 -2.246 3.720 1.00 . A A . 9 ORN NE 1 1
3 533 1 1 9 ORN O O 4.163 1.655 0.112 1.00 . A A . 9 ORN O 1 1
3 534 1 1 10 LEU C C 3.847 3.146 3.862 1.00 . A A . 10 LEU C 1 1
3 535 1 1 10 LEU CA C 3.247 2.878 2.479 1.00 . A A . 10 LEU CA 1 1
3 536 1 1 10 LEU CB C 1.802 3.372 2.353 1.00 . A A . 10 LEU CB 1 1
3 537 1 1 10 LEU CD1 C 2.640 5.537 1.182 1.00 . A A . 10 LEU CD1 1 1
3 538 1 1 10 LEU CD2 C 0.256 4.854 1.128 1.00 . A A . 10 LEU CD2 1 1
3 539 1 1 10 LEU CG C 1.513 4.843 1.968 1.00 . A A . 10 LEU CG 1 1
3 540 1 1 10 LEU H H 3.015 0.847 2.932 1.00 . A A . 10 LEU H 1 1
3 541 1 1 10 LEU HA H 3.845 3.376 1.743 1.00 . A A . 10 LEU HA 1 1
3 542 1 1 10 LEU HB2 H 1.337 2.756 1.590 1.00 . A A . 10 LEU HB2 1 1
3 543 1 1 10 LEU HB3 H 1.286 3.159 3.290 1.00 . A A . 10 LEU HB3 1 1
3 544 1 1 10 LEU HD11 H 2.882 4.956 0.289 1.00 . A A . 10 LEU HD11 1 1
3 545 1 1 10 LEU HD12 H 3.526 5.634 1.807 1.00 . A A . 10 LEU HD12 1 1
3 546 1 1 10 LEU HD13 H 2.313 6.535 0.881 1.00 . A A . 10 LEU HD13 1 1
3 547 1 1 10 LEU HD21 H -0.562 4.395 1.684 1.00 . A A . 10 LEU HD21 1 1
3 548 1 1 10 LEU HD22 H 0.429 4.296 0.208 1.00 . A A . 10 LEU HD22 1 1
3 549 1 1 10 LEU HD23 H -0.012 5.880 0.884 1.00 . A A . 10 LEU HD23 1 1
3 550 1 1 10 LEU HG H 1.330 5.410 2.879 1.00 . A A . 10 LEU HG 1 1
3 551 1 1 10 LEU N N 3.304 1.452 2.195 1.00 . A A . 10 LEU N 1 1
3 552 1 1 10 LEU O O 4.568 2.296 4.386 1.00 . A A . 10 LEU O 1 1
4 553 1 1 1 . C C 4.098 4.936 6.708 1.00 . A A . 1 DPN C 1 1
4 554 1 1 1 . CA C 4.609 5.175 5.285 1.00 . A A . 1 DPN CA 1 1
4 555 1 1 1 . CB C 6.091 5.043 5.114 1.00 . A A . 1 DPN CB 1 1
4 556 1 1 1 . CD1 C 6.956 7.375 4.650 1.00 . A A . 1 DPN CD1 1 1
4 557 1 1 1 . CD2 C 7.477 6.348 6.787 1.00 . A A . 1 DPN CD2 1 1
4 558 1 1 1 . CE1 C 7.659 8.547 5.033 1.00 . A A . 1 DPN CE1 1 1
4 559 1 1 1 . CE2 C 8.185 7.514 7.181 1.00 . A A . 1 DPN CE2 1 1
4 560 1 1 1 . CG C 6.859 6.274 5.524 1.00 . A A . 1 DPN CG 1 1
4 561 1 1 1 . CZ C 8.272 8.615 6.301 1.00 . A A . 1 DPN CZ 1 1
4 562 1 1 1 . H1 H 3.180 4.910 3.752 1.00 . A A . 1 DPN H1 1 1
4 563 1 1 1 . HA H 4.424 6.246 5.120 1.00 . A A . 1 DPN HA 1 1
4 564 1 1 1 . HB2 H 6.459 4.174 5.659 1.00 . A A . 1 DPN HB2 1 1
4 565 1 1 1 . HB3 H 6.203 4.888 4.043 1.00 . A A . 1 DPN HB3 1 1
4 566 1 1 1 . HD1 H 6.486 7.332 3.678 1.00 . A A . 1 DPN HD1 1 1
4 567 1 1 1 . HD2 H 7.406 5.513 7.468 1.00 . A A . 1 DPN HD2 1 1
4 568 1 1 1 . HE1 H 7.718 9.388 4.358 1.00 . A A . 1 DPN HE1 1 1
4 569 1 1 1 . HE2 H 8.648 7.561 8.154 1.00 . A A . 1 DPN HE2 1 1
4 570 1 1 1 . HZ H 8.802 9.507 6.601 1.00 . A A . 1 DPN HZ 1 1
4 571 1 1 1 . N N 3.910 4.436 4.208 1.00 . A A . 1 DPN N 1 1
4 572 1 1 1 . O O 4.339 5.753 7.586 1.00 . A A . 1 DPN O 1 1
4 573 1 1 2 BE2 C C 2.155 1.100 6.837 1.00 . A A . 2 BE2 C 1 1
4 574 1 1 2 BE2 C1 C 2.118 1.972 8.092 1.00 . A A . 2 BE2 C1 1 1
4 575 1 1 2 BE2 C2 C 2.723 3.268 8.102 1.00 . A A . 2 BE2 C2 1 1
4 576 1 1 2 BE2 C3 C 2.671 4.034 9.296 1.00 . A A . 2 BE2 C3 1 1
4 577 1 1 2 BE2 C4 C 2.047 3.538 10.445 1.00 . A A . 2 BE2 C4 1 1
4 578 1 1 2 BE2 C5 C 1.459 2.276 10.436 1.00 . A A . 2 BE2 C5 1 1
4 579 1 1 2 BE2 C6 C 1.486 1.495 9.277 1.00 . A A . 2 BE2 C6 1 1
4 580 1 1 2 BE2 H3 H 3.105 5.022 9.349 1.00 . A A . 2 BE2 H3 1 1
4 581 1 1 2 BE2 H4 H 2.015 4.145 11.347 1.00 . A A . 2 BE2 H4 1 1
4 582 1 1 2 BE2 H5 H 0.971 1.901 11.332 1.00 . A A . 2 BE2 H5 1 1
4 583 1 1 2 BE2 H6 H 1.016 0.520 9.312 1.00 . A A . 2 BE2 H6 1 1
4 584 1 1 2 BE2 HN21 H 3.244 3.173 6.089 1.00 . A A . 2 BE2 HN21 1 1
4 585 1 1 2 BE2 N2 N 3.357 3.772 6.903 1.00 . A A . 2 BE2 N2 1 1
4 586 1 1 2 BE2 O1 O 2.743 1.433 5.818 1.00 . A A . 2 BE2 O1 1 1
4 587 1 1 3 PHE C C 0.366 -0.661 4.843 1.00 . A A . 3 PHE C 1 1
4 588 1 1 3 PHE CA C 1.476 -1.047 5.804 1.00 . A A . 3 PHE CA 1 1
4 589 1 1 3 PHE CB C 1.309 -2.493 6.299 1.00 . A A . 3 PHE CB 1 1
4 590 1 1 3 PHE CD1 C -1.158 -3.058 6.468 1.00 . A A . 3 PHE CD1 1 1
4 591 1 1 3 PHE CD2 C 0.079 -2.623 8.511 1.00 . A A . 3 PHE CD2 1 1
4 592 1 1 3 PHE CE1 C -2.337 -3.276 7.220 1.00 . A A . 3 PHE CE1 1 1
4 593 1 1 3 PHE CE2 C -1.095 -2.840 9.275 1.00 . A A . 3 PHE CE2 1 1
4 594 1 1 3 PHE CG C 0.053 -2.725 7.105 1.00 . A A . 3 PHE CG 1 1
4 595 1 1 3 PHE CZ C -2.306 -3.160 8.625 1.00 . A A . 3 PHE CZ 1 1
4 596 1 1 3 PHE H H 0.974 -0.322 7.751 1.00 . A A . 3 PHE H 1 1
4 597 1 1 3 PHE HA H 2.429 -0.967 5.281 1.00 . A A . 3 PHE HA 1 1
4 598 1 1 3 PHE HB2 H 1.299 -3.160 5.437 1.00 . A A . 3 PHE HB2 1 1
4 599 1 1 3 PHE HB3 H 2.168 -2.750 6.919 1.00 . A A . 3 PHE HB3 1 1
4 600 1 1 3 PHE HD1 H -1.196 -3.140 5.390 1.00 . A A . 3 PHE HD1 1 1
4 601 1 1 3 PHE HD2 H 1.003 -2.382 9.016 1.00 . A A . 3 PHE HD2 1 1
4 602 1 1 3 PHE HE1 H -3.262 -3.522 6.718 1.00 . A A . 3 PHE HE1 1 1
4 603 1 1 3 PHE HE2 H -1.065 -2.757 10.352 1.00 . A A . 3 PHE HE2 1 1
4 604 1 1 3 PHE HZ H -3.206 -3.318 9.202 1.00 . A A . 3 PHE HZ 1 1
4 605 1 1 3 PHE N N 1.484 -0.102 6.914 1.00 . A A . 3 PHE N 1 1
4 606 1 1 3 PHE O O -0.718 -0.273 5.260 1.00 . A A . 3 PHE O 1 1
4 607 1 1 4 . C C -1.020 -1.691 2.078 1.00 . A A . 4 DPN C 1 1
4 608 1 1 4 . CA C -0.157 -0.476 2.402 1.00 . A A . 4 DPN CA 1 1
4 609 1 1 4 . CB C -0.961 0.846 2.511 1.00 . A A . 4 DPN CB 1 1
4 610 1 1 4 . CD1 C -2.852 0.892 0.833 1.00 . A A . 4 DPN CD1 1 1
4 611 1 1 4 . CD2 C -3.374 0.424 3.156 1.00 . A A . 4 DPN CD2 1 1
4 612 1 1 4 . CE1 C -4.223 0.778 0.493 1.00 . A A . 4 DPN CE1 1 1
4 613 1 1 4 . CE2 C -4.748 0.300 2.828 1.00 . A A . 4 DPN CE2 1 1
4 614 1 1 4 . CG C -2.421 0.713 2.164 1.00 . A A . 4 DPN CG 1 1
4 615 1 1 4 . CZ C -5.171 0.479 1.494 1.00 . A A . 4 DPN CZ 1 1
4 616 1 1 4 . HA H 0.511 -0.346 1.555 1.00 . A A . 4 DPN HA 1 1
4 617 1 1 4 . HB2 H -0.859 1.268 3.511 1.00 . A A . 4 DPN HB2 1 1
4 618 1 1 4 . HB3 H -0.526 1.556 1.814 1.00 . A A . 4 DPN HB3 1 1
4 619 1 1 4 . HD1 H -2.129 1.124 0.063 1.00 . A A . 4 DPN HD1 1 1
4 620 1 1 4 . HD2 H -3.058 0.284 4.181 1.00 . A A . 4 DPN HD2 1 1
4 621 1 1 4 . HE1 H -4.544 0.927 -0.527 1.00 . A A . 4 DPN HE1 1 1
4 622 1 1 4 . HE2 H -5.469 0.069 3.599 1.00 . A A . 4 DPN HE2 1 1
4 623 1 1 4 . HZ H -6.219 0.395 1.241 1.00 . A A . 4 DPN HZ 1 1
4 624 1 1 4 . N N 0.701 -0.779 3.560 1.00 . A A . 4 DPN N 1 1
4 625 1 1 4 . O O -1.801 -2.182 2.885 1.00 . A A . 4 DPN O 1 1
4 626 1 1 5 ASN C C -0.628 -4.337 -0.247 1.00 . A A . 5 ASN C 1 1
4 627 1 1 5 ASN CA C -1.596 -3.317 0.358 1.00 . A A . 5 ASN CA 1 1
4 628 1 1 5 ASN CB C -2.643 -2.830 -0.662 1.00 . A A . 5 ASN CB 1 1
4 629 1 1 5 ASN CG C -2.031 -2.093 -1.826 1.00 . A A . 5 ASN CG 1 1
4 630 1 1 5 ASN H H -0.135 -1.762 0.269 1.00 . A A . 5 ASN H 1 1
4 631 1 1 5 ASN HA H -2.122 -3.798 1.183 1.00 . A A . 5 ASN HA 1 1
4 632 1 1 5 ASN HB2 H -3.206 -3.682 -1.038 1.00 . A A . 5 ASN HB2 1 1
4 633 1 1 5 ASN HB3 H -3.334 -2.160 -0.152 1.00 . A A . 5 ASN HB3 1 1
4 634 1 1 5 ASN HD21 H -2.209 -0.429 -2.920 1.00 . A A . 5 ASN HD21 1 1
4 635 1 1 5 ASN HD22 H -3.352 -0.602 -1.609 1.00 . A A . 5 ASN HD22 1 1
4 636 1 1 5 ASN N N -0.837 -2.180 0.867 1.00 . A A . 5 ASN N 1 1
4 637 1 1 5 ASN ND2 N -2.575 -0.953 -2.141 1.00 . A A . 5 ASN ND2 1 1
4 638 1 1 5 ASN O O 0.580 -4.137 -0.217 1.00 . A A . 5 ASN O 1 1
4 639 1 1 5 ASN OD1 O -1.085 -2.553 -2.439 1.00 . A A . 5 ASN OD1 1 1
4 640 1 1 6 LYS C C 0.470 -6.184 -2.600 1.00 . A A . 6 LYS C 1 1
4 641 1 1 6 LYS CA C -0.337 -6.517 -1.335 1.00 . A A . 6 LYS CA 1 1
4 642 1 1 6 LYS CB C -1.219 -7.744 -1.606 1.00 . A A . 6 LYS CB 1 1
4 643 1 1 6 LYS CD C -3.024 -8.857 -2.944 1.00 . A A . 6 LYS CD 1 1
4 644 1 1 6 LYS CE C -3.953 -8.746 -4.147 1.00 . A A . 6 LYS CE 1 1
4 645 1 1 6 LYS CG C -2.215 -7.578 -2.757 1.00 . A A . 6 LYS CG 1 1
4 646 1 1 6 LYS H H -2.161 -5.532 -0.802 1.00 . A A . 6 LYS H 1 1
4 647 1 1 6 LYS HA H 0.388 -6.798 -0.569 1.00 . A A . 6 LYS HA 1 1
4 648 1 1 6 LYS HB2 H -0.568 -8.591 -1.835 1.00 . A A . 6 LYS HB2 1 1
4 649 1 1 6 LYS HB3 H -1.772 -7.980 -0.698 1.00 . A A . 6 LYS HB3 1 1
4 650 1 1 6 LYS HD2 H -2.339 -9.693 -3.097 1.00 . A A . 6 LYS HD2 1 1
4 651 1 1 6 LYS HD3 H -3.617 -9.041 -2.046 1.00 . A A . 6 LYS HD3 1 1
4 652 1 1 6 LYS HE2 H -4.629 -7.902 -3.999 1.00 . A A . 6 LYS HE2 1 1
4 653 1 1 6 LYS HE3 H -3.351 -8.561 -5.039 1.00 . A A . 6 LYS HE3 1 1
4 654 1 1 6 LYS HG2 H -2.891 -6.752 -2.537 1.00 . A A . 6 LYS HG2 1 1
4 655 1 1 6 LYS HG3 H -1.672 -7.363 -3.677 1.00 . A A . 6 LYS HG3 1 1
4 656 1 1 6 LYS HZ1 H -4.141 -10.783 -4.502 1.00 . A A . 6 LYS HZ1 1 1
4 657 1 1 6 LYS HZ2 H -5.361 -9.887 -5.157 1.00 . A A . 6 LYS HZ2 1 1
4 658 1 1 6 LYS HZ3 H -5.329 -10.176 -3.533 1.00 . A A . 6 LYS HZ3 1 1
4 659 1 1 6 LYS N N -1.161 -5.428 -0.782 1.00 . A A . 6 LYS N 1 1
4 660 1 1 6 LYS NZ N -4.761 -9.998 -4.351 1.00 . A A . 6 LYS NZ 1 1
4 661 1 1 6 LYS O O 1.175 -7.042 -3.109 1.00 . A A . 6 LYS O 1 1
4 662 1 1 7 TYR C C 2.220 -3.534 -3.829 1.00 . A A . 7 TYR C 1 1
4 663 1 1 7 TYR CA C 1.146 -4.529 -4.259 1.00 . A A . 7 TYR CA 1 1
4 664 1 1 7 TYR CB C 0.234 -3.864 -5.295 1.00 . A A . 7 TYR CB 1 1
4 665 1 1 7 TYR CD1 C -0.773 -5.711 -6.723 1.00 . A A . 7 TYR CD1 1 1
4 666 1 1 7 TYR CD2 C -2.215 -4.543 -5.163 1.00 . A A . 7 TYR CD2 1 1
4 667 1 1 7 TYR CE1 C -1.874 -6.501 -7.150 1.00 . A A . 7 TYR CE1 1 1
4 668 1 1 7 TYR CE2 C -3.317 -5.332 -5.589 1.00 . A A . 7 TYR CE2 1 1
4 669 1 1 7 TYR CG C -0.934 -4.723 -5.731 1.00 . A A . 7 TYR CG 1 1
4 670 1 1 7 TYR CZ C -3.134 -6.298 -6.583 1.00 . A A . 7 TYR CZ 1 1
4 671 1 1 7 TYR H H -0.223 -4.278 -2.641 1.00 . A A . 7 TYR H 1 1
4 672 1 1 7 TYR HA H 1.632 -5.394 -4.712 1.00 . A A . 7 TYR HA 1 1
4 673 1 1 7 TYR HB2 H -0.157 -2.939 -4.878 1.00 . A A . 7 TYR HB2 1 1
4 674 1 1 7 TYR HB3 H 0.831 -3.617 -6.173 1.00 . A A . 7 TYR HB3 1 1
4 675 1 1 7 TYR HD1 H 0.200 -5.865 -7.172 1.00 . A A . 7 TYR HD1 1 1
4 676 1 1 7 TYR HD2 H -2.361 -3.790 -4.402 1.00 . A A . 7 TYR HD2 1 1
4 677 1 1 7 TYR HE1 H -1.736 -7.250 -7.916 1.00 . A A . 7 TYR HE1 1 1
4 678 1 1 7 TYR HE2 H -4.294 -5.181 -5.157 1.00 . A A . 7 TYR HE2 1 1
4 679 1 1 7 TYR HH H -4.006 -7.552 -7.801 1.00 . A A . 7 TYR HH 1 1
4 680 1 1 7 TYR N N 0.378 -4.955 -3.090 1.00 . A A . 7 TYR N 1 1
4 681 1 1 7 TYR O O 3.361 -3.605 -4.270 1.00 . A A . 7 TYR O 1 1
4 682 1 1 7 TYR OH O -4.199 -7.054 -7.002 1.00 . A A . 7 TYR OH 1 1
4 683 1 1 8 VAL C C 2.658 -1.359 -0.928 1.00 . A A . 8 VAL C 1 1
4 684 1 1 8 VAL CA C 2.776 -1.596 -2.451 1.00 . A A . 8 VAL CA 1 1
4 685 1 1 8 VAL CB C 2.683 -0.300 -3.285 1.00 . A A . 8 VAL CB 1 1
4 686 1 1 8 VAL CG1 C 1.651 0.567 -2.749 1.00 . A A . 8 VAL CG1 1 1
4 687 1 1 8 VAL CG2 C 4.042 0.424 -3.330 1.00 . A A . 8 VAL CG2 1 1
4 688 1 1 8 VAL H H 0.888 -2.583 -2.640 1.00 . A A . 8 VAL H 1 1
4 689 1 1 8 VAL HA H 3.747 -1.943 -2.616 1.00 . A A . 8 VAL HA 1 1
4 690 1 1 8 VAL HB H 2.412 -0.571 -4.305 1.00 . A A . 8 VAL HB 1 1
4 691 1 1 8 VAL HG11 H 0.743 -0.012 -2.641 1.00 . A A . 8 VAL HG11 1 1
4 692 1 1 8 VAL HG12 H 1.488 1.402 -3.422 1.00 . A A . 8 VAL HG12 1 1
4 693 1 1 8 VAL HG13 H 1.975 0.922 -1.779 1.00 . A A . 8 VAL HG13 1 1
4 694 1 1 8 VAL HG21 H 3.965 1.302 -3.975 1.00 . A A . 8 VAL HG21 1 1
4 695 1 1 8 VAL HG22 H 4.800 -0.246 -3.737 1.00 . A A . 8 VAL HG22 1 1
4 696 1 1 8 VAL HG23 H 4.336 0.743 -2.330 1.00 . A A . 8 VAL HG23 1 1
4 697 1 1 8 VAL N N 1.844 -2.605 -2.959 1.00 . A A . 8 VAL N 1 1
4 698 1 1 8 VAL O O 1.562 -1.307 -0.354 1.00 . A A . 8 VAL O 1 1
4 699 1 1 9 ORN C C 3.952 0.783 1.149 1.00 . A A . 9 ORN C 1 1
4 700 1 1 9 ORN CA C 4.007 -0.767 1.090 1.00 . A A . 9 ORN CA 1 1
4 701 1 1 9 ORN CB C 5.373 -1.302 1.616 1.00 . A A . 9 ORN CB 1 1
4 702 1 1 9 ORN CD C 6.611 -3.326 2.570 1.00 . A A . 9 ORN CD 1 1
4 703 1 1 9 ORN CG C 5.238 -2.744 2.168 1.00 . A A . 9 ORN CG 1 1
4 704 1 1 9 ORN H H 4.666 -1.277 -0.867 1.00 . A A . 9 ORN H 1 1
4 705 1 1 9 ORN HA H 3.199 -1.170 1.703 1.00 . A A . 9 ORN HA 1 1
4 706 1 1 9 ORN HB2 H 6.096 -1.294 0.795 1.00 . A A . 9 ORN HB2 1 1
4 707 1 1 9 ORN HB3 H 5.749 -0.649 2.403 1.00 . A A . 9 ORN HB3 1 1
4 708 1 1 9 ORN HD2 H 6.496 -4.398 2.763 1.00 . A A . 9 ORN HD2 1 1
4 709 1 1 9 ORN HD3 H 7.312 -3.198 1.740 1.00 . A A . 9 ORN HD3 1 1
4 710 1 1 9 ORN HE1 H 8.059 -3.076 4.014 1.00 . A A . 9 ORN HE1 1 1
4 711 1 1 9 ORN HE2 H 7.274 -1.680 3.619 1.00 . A A . 9 ORN HE2 1 1
4 712 1 1 9 ORN HE3 H 6.527 -2.809 4.563 1.00 . A A . 9 ORN HE3 1 1
4 713 1 1 9 ORN HG2 H 4.577 -2.741 3.039 1.00 . A A . 9 ORN HG2 1 1
4 714 1 1 9 ORN HG3 H 4.798 -3.383 1.398 1.00 . A A . 9 ORN HG3 1 1
4 715 1 1 9 ORN N N 3.832 -1.228 -0.304 1.00 . A A . 9 ORN N 1 1
4 716 1 1 9 ORN NE N 7.159 -2.673 3.786 1.00 . A A . 9 ORN NE 1 1
4 717 1 1 9 ORN O O 4.340 1.448 0.184 1.00 . A A . 9 ORN O 1 1
4 718 1 1 10 LEU C C 4.224 3.225 3.735 1.00 . A A . 10 LEU C 1 1
4 719 1 1 10 LEU CA C 3.417 2.765 2.517 1.00 . A A . 10 LEU CA 1 1
4 720 1 1 10 LEU CB C 1.948 3.120 2.641 1.00 . A A . 10 LEU CB 1 1
4 721 1 1 10 LEU CD1 C 1.361 3.586 0.209 1.00 . A A . 10 LEU CD1 1 1
4 722 1 1 10 LEU CD2 C 0.334 4.866 2.067 1.00 . A A . 10 LEU CD2 1 1
4 723 1 1 10 LEU CG C 1.567 4.185 1.609 1.00 . A A . 10 LEU CG 1 1
4 724 1 1 10 LEU H H 3.318 0.765 3.076 1.00 . A A . 10 LEU H 1 1
4 725 1 1 10 LEU HA H 3.785 3.272 1.658 1.00 . A A . 10 LEU HA 1 1
4 726 1 1 10 LEU HB2 H 1.363 2.231 2.465 1.00 . A A . 10 LEU HB2 1 1
4 727 1 1 10 LEU HB3 H 1.730 3.481 3.644 1.00 . A A . 10 LEU HB3 1 1
4 728 1 1 10 LEU HD11 H 2.288 3.128 -0.137 1.00 . A A . 10 LEU HD11 1 1
4 729 1 1 10 LEU HD12 H 1.079 4.375 -0.488 1.00 . A A . 10 LEU HD12 1 1
4 730 1 1 10 LEU HD13 H 0.573 2.834 0.238 1.00 . A A . 10 LEU HD13 1 1
4 731 1 1 10 LEU HD21 H 0.523 5.328 3.033 1.00 . A A . 10 LEU HD21 1 1
4 732 1 1 10 LEU HD22 H -0.474 4.144 2.158 1.00 . A A . 10 LEU HD22 1 1
4 733 1 1 10 LEU HD23 H 0.060 5.636 1.349 1.00 . A A . 10 LEU HD23 1 1
4 734 1 1 10 LEU HG H 2.365 4.925 1.559 1.00 . A A . 10 LEU HG 1 1
4 735 1 1 10 LEU N N 3.552 1.332 2.301 1.00 . A A . 10 LEU N 1 1
4 736 1 1 10 LEU O O 5.083 2.480 4.212 1.00 . A A . 10 LEU O 1 1
5 737 1 1 1 . C C 4.131 4.515 6.743 1.00 . A A . 1 DPN C 1 1
5 738 1 1 1 . CA C 4.807 4.639 5.377 1.00 . A A . 1 DPN CA 1 1
5 739 1 1 1 . CB C 6.228 4.184 5.313 1.00 . A A . 1 DPN CB 1 1
5 740 1 1 1 . CD1 C 7.674 5.350 7.038 1.00 . A A . 1 DPN CD1 1 1
5 741 1 1 1 . CD2 C 7.693 6.169 4.753 1.00 . A A . 1 DPN CD2 1 1
5 742 1 1 1 . CE1 C 8.589 6.367 7.418 1.00 . A A . 1 DPN CE1 1 1
5 743 1 1 1 . CE2 C 8.608 7.190 5.120 1.00 . A A . 1 DPN CE2 1 1
5 744 1 1 1 . CG C 7.220 5.248 5.710 1.00 . A A . 1 DPN CG 1 1
5 745 1 1 1 . CZ C 9.051 7.292 6.455 1.00 . A A . 1 DPN CZ 1 1
5 746 1 1 1 . H1 H 3.453 4.681 3.761 1.00 . A A . 1 DPN H1 1 1
5 747 1 1 1 . HA H 4.872 5.725 5.211 1.00 . A A . 1 DPN HA 1 1
5 748 1 1 1 . HB2 H 6.368 3.290 5.922 1.00 . A A . 1 DPN HB2 1 1
5 749 1 1 1 . HB3 H 6.360 3.946 4.259 1.00 . A A . 1 DPN HB3 1 1
5 750 1 1 1 . HD1 H 7.318 4.652 7.782 1.00 . A A . 1 DPN HD1 1 1
5 751 1 1 1 . HD2 H 7.352 6.105 3.730 1.00 . A A . 1 DPN HD2 1 1
5 752 1 1 1 . HE1 H 8.925 6.439 8.441 1.00 . A A . 1 DPN HE1 1 1
5 753 1 1 1 . HE2 H 8.958 7.897 4.380 1.00 . A A . 1 DPN HE2 1 1
5 754 1 1 1 . HZ H 9.741 8.072 6.740 1.00 . A A . 1 DPN HZ 1 1
5 755 1 1 1 . N N 4.033 4.061 4.256 1.00 . A A . 1 DPN N 1 1
5 756 1 1 1 . O O 4.514 5.195 7.682 1.00 . A A . 1 DPN O 1 1
5 757 1 1 2 BE2 C C 1.420 1.179 6.665 1.00 . A A . 2 BE2 C 1 1
5 758 1 1 2 BE2 C1 C 1.380 2.130 7.866 1.00 . A A . 2 BE2 C1 1 1
5 759 1 1 2 BE2 C2 C 2.209 3.296 7.916 1.00 . A A . 2 BE2 C2 1 1
5 760 1 1 2 BE2 C3 C 2.139 4.140 9.053 1.00 . A A . 2 BE2 C3 1 1
5 761 1 1 2 BE2 C4 C 1.287 3.841 10.120 1.00 . A A . 2 BE2 C4 1 1
5 762 1 1 2 BE2 C5 C 0.485 2.704 10.081 1.00 . A A . 2 BE2 C5 1 1
5 763 1 1 2 BE2 C6 C 0.521 1.855 8.971 1.00 . A A . 2 BE2 C6 1 1
5 764 1 1 2 BE2 H3 H 2.734 5.039 9.121 1.00 . A A . 2 BE2 H3 1 1
5 765 1 1 2 BE2 H4 H 1.249 4.502 10.984 1.00 . A A . 2 BE2 H4 1 1
5 766 1 1 2 BE2 H5 H -0.179 2.482 10.914 1.00 . A A . 2 BE2 H5 1 1
5 767 1 1 2 BE2 H6 H -0.124 0.984 8.981 1.00 . A A . 2 BE2 H6 1 1
5 768 1 1 2 BE2 HN21 H 2.890 3.072 5.967 1.00 . A A . 2 BE2 HN21 1 1
5 769 1 1 2 BE2 N2 N 3.076 3.606 6.810 1.00 . A A . 2 BE2 N2 1 1
5 770 1 1 2 BE2 O1 O 2.168 1.344 5.713 1.00 . A A . 2 BE2 O1 1 1
5 771 1 1 3 PHE C C -0.426 -0.470 4.571 1.00 . A A . 3 PHE C 1 1
5 772 1 1 3 PHE CA C 0.497 -0.923 5.688 1.00 . A A . 3 PHE CA 1 1
5 773 1 1 3 PHE CB C -0.001 -2.244 6.275 1.00 . A A . 3 PHE CB 1 1
5 774 1 1 3 PHE CD1 C 2.006 -3.646 6.901 1.00 . A A . 3 PHE CD1 1 1
5 775 1 1 3 PHE CD2 C 0.736 -2.572 8.671 1.00 . A A . 3 PHE CD2 1 1
5 776 1 1 3 PHE CE1 C 2.891 -4.196 7.863 1.00 . A A . 3 PHE CE1 1 1
5 777 1 1 3 PHE CE2 C 1.617 -3.113 9.641 1.00 . A A . 3 PHE CE2 1 1
5 778 1 1 3 PHE CG C 0.928 -2.831 7.300 1.00 . A A . 3 PHE CG 1 1
5 779 1 1 3 PHE CZ C 2.696 -3.924 9.233 1.00 . A A . 3 PHE CZ 1 1
5 780 1 1 3 PHE H H -0.054 0.038 7.515 1.00 . A A . 3 PHE H 1 1
5 781 1 1 3 PHE HA H 1.495 -1.074 5.278 1.00 . A A . 3 PHE HA 1 1
5 782 1 1 3 PHE HB2 H -0.977 -2.079 6.734 1.00 . A A . 3 PHE HB2 1 1
5 783 1 1 3 PHE HB3 H -0.120 -2.963 5.462 1.00 . A A . 3 PHE HB3 1 1
5 784 1 1 3 PHE HD1 H 2.158 -3.859 5.854 1.00 . A A . 3 PHE HD1 1 1
5 785 1 1 3 PHE HD2 H -0.091 -1.955 8.991 1.00 . A A . 3 PHE HD2 1 1
5 786 1 1 3 PHE HE1 H 3.712 -4.824 7.548 1.00 . A A . 3 PHE HE1 1 1
5 787 1 1 3 PHE HE2 H 1.457 -2.911 10.691 1.00 . A A . 3 PHE HE2 1 1
5 788 1 1 3 PHE HZ H 3.365 -4.345 9.973 1.00 . A A . 3 PHE HZ 1 1
5 789 1 1 3 PHE N N 0.560 0.105 6.724 1.00 . A A . 3 PHE N 1 1
5 790 1 1 3 PHE O O -1.506 0.038 4.832 1.00 . A A . 3 PHE O 1 1
5 791 1 1 4 . C C -1.565 -1.415 1.631 1.00 . A A . 4 DPN C 1 1
5 792 1 1 4 . CA C -0.595 -0.316 2.078 1.00 . A A . 4 DPN CA 1 1
5 793 1 1 4 . CB C -1.219 1.102 2.058 1.00 . A A . 4 DPN CB 1 1
5 794 1 1 4 . CD1 C -3.713 1.020 2.516 1.00 . A A . 4 DPN CD1 1 1
5 795 1 1 4 . CD2 C -2.957 1.315 0.229 1.00 . A A . 4 DPN CD2 1 1
5 796 1 1 4 . CE1 C -5.061 1.059 2.081 1.00 . A A . 4 DPN CE1 1 1
5 797 1 1 4 . CE2 C -4.304 1.362 -0.218 1.00 . A A . 4 DPN CE2 1 1
5 798 1 1 4 . CG C -2.655 1.142 1.594 1.00 . A A . 4 DPN CG 1 1
5 799 1 1 4 . CZ C -5.355 1.230 0.713 1.00 . A A . 4 DPN CZ 1 1
5 800 1 1 4 . HA H 0.191 -0.299 1.330 1.00 . A A . 4 DPN HA 1 1
5 801 1 1 4 . HB2 H -1.142 1.557 3.045 1.00 . A A . 4 DPN HB2 1 1
5 802 1 1 4 . HB3 H -0.636 1.711 1.371 1.00 . A A . 4 DPN HB3 1 1
5 803 1 1 4 . HD1 H -3.497 0.888 3.566 1.00 . A A . 4 DPN HD1 1 1
5 804 1 1 4 . HD2 H -2.154 1.423 -0.486 1.00 . A A . 4 DPN HD2 1 1
5 805 1 1 4 . HE1 H -5.863 0.955 2.798 1.00 . A A . 4 DPN HE1 1 1
5 806 1 1 4 . HE2 H -4.524 1.504 -1.264 1.00 . A A . 4 DPN HE2 1 1
5 807 1 1 4 . HZ H -6.383 1.269 0.381 1.00 . A A . 4 DPN HZ 1 1
5 808 1 1 4 . N N 0.060 -0.680 3.348 1.00 . A A . 4 DPN N 1 1
5 809 1 1 4 . O O -2.474 -1.815 2.349 1.00 . A A . 4 DPN O 1 1
5 810 1 1 5 ASN C C -1.261 -4.081 -0.674 1.00 . A A . 5 ASN C 1 1
5 811 1 1 5 ASN CA C -2.158 -2.935 -0.187 1.00 . A A . 5 ASN CA 1 1
5 812 1 1 5 ASN CB C -2.985 -2.320 -1.332 1.00 . A A . 5 ASN CB 1 1
5 813 1 1 5 ASN CG C -2.124 -1.687 -2.401 1.00 . A A . 5 ASN CG 1 1
5 814 1 1 5 ASN H H -0.528 -1.562 -0.095 1.00 . A A . 5 ASN H 1 1
5 815 1 1 5 ASN HA H -2.845 -3.333 0.559 1.00 . A A . 5 ASN HA 1 1
5 816 1 1 5 ASN HB2 H -3.610 -3.086 -1.785 1.00 . A A . 5 ASN HB2 1 1
5 817 1 1 5 ASN HB3 H -3.632 -1.552 -0.912 1.00 . A A . 5 ASN HB3 1 1
5 818 1 1 5 ASN HD21 H -1.868 0.002 -3.436 1.00 . A A . 5 ASN HD21 1 1
5 819 1 1 5 ASN HD22 H -3.160 0.023 -2.257 1.00 . A A . 5 ASN HD22 1 1
5 820 1 1 5 ASN N N -1.327 -1.905 0.428 1.00 . A A . 5 ASN N 1 1
5 821 1 1 5 ASN ND2 N -2.408 -0.458 -2.720 1.00 . A A . 5 ASN ND2 1 1
5 822 1 1 5 ASN O O -0.076 -4.119 -0.356 1.00 . A A . 5 ASN O 1 1
5 823 1 1 5 ASN OD1 O -1.223 -2.306 -2.939 1.00 . A A . 5 ASN OD1 1 1
5 824 1 1 6 LYS C C 0.046 -5.971 -2.874 1.00 . A A . 6 LYS C 1 1
5 825 1 1 6 LYS CA C -1.099 -6.211 -1.888 1.00 . A A . 6 LYS CA 1 1
5 826 1 1 6 LYS CB C -2.073 -7.196 -2.546 1.00 . A A . 6 LYS CB 1 1
5 827 1 1 6 LYS CD C -3.968 -8.867 -2.253 1.00 . A A . 6 LYS CD 1 1
5 828 1 1 6 LYS CE C -3.160 -10.169 -2.397 1.00 . A A . 6 LYS CE 1 1
5 829 1 1 6 LYS CG C -3.139 -7.749 -1.598 1.00 . A A . 6 LYS CG 1 1
5 830 1 1 6 LYS H H -2.796 -4.921 -1.687 1.00 . A A . 6 LYS H 1 1
5 831 1 1 6 LYS HA H -0.665 -6.697 -1.014 1.00 . A A . 6 LYS HA 1 1
5 832 1 1 6 LYS HB2 H -2.565 -6.698 -3.383 1.00 . A A . 6 LYS HB2 1 1
5 833 1 1 6 LYS HB3 H -1.492 -8.028 -2.941 1.00 . A A . 6 LYS HB3 1 1
5 834 1 1 6 LYS HD2 H -4.843 -9.063 -1.632 1.00 . A A . 6 LYS HD2 1 1
5 835 1 1 6 LYS HD3 H -4.300 -8.535 -3.237 1.00 . A A . 6 LYS HD3 1 1
5 836 1 1 6 LYS HE2 H -2.281 -9.981 -3.019 1.00 . A A . 6 LYS HE2 1 1
5 837 1 1 6 LYS HE3 H -2.823 -10.491 -1.409 1.00 . A A . 6 LYS HE3 1 1
5 838 1 1 6 LYS HG2 H -2.654 -8.146 -0.705 1.00 . A A . 6 LYS HG2 1 1
5 839 1 1 6 LYS HG3 H -3.807 -6.940 -1.305 1.00 . A A . 6 LYS HG3 1 1
5 840 1 1 6 LYS HZ1 H -4.787 -11.462 -2.451 1.00 . A A . 6 LYS HZ1 1 1
5 841 1 1 6 LYS HZ2 H -3.413 -12.110 -3.098 1.00 . A A . 6 LYS HZ2 1 1
5 842 1 1 6 LYS HZ3 H -4.277 -10.989 -3.947 1.00 . A A . 6 LYS HZ3 1 1
5 843 1 1 6 LYS N N -1.829 -5.017 -1.427 1.00 . A A . 6 LYS N 1 1
5 844 1 1 6 LYS NZ N -3.975 -11.271 -3.023 1.00 . A A . 6 LYS NZ 1 1
5 845 1 1 6 LYS O O 0.793 -6.896 -3.159 1.00 . A A . 6 LYS O 1 1
5 846 1 1 7 TYR C C 2.274 -3.497 -3.800 1.00 . A A . 7 TYR C 1 1
5 847 1 1 7 TYR CA C 1.239 -4.459 -4.364 1.00 . A A . 7 TYR CA 1 1
5 848 1 1 7 TYR CB C 0.628 -3.857 -5.631 1.00 . A A . 7 TYR CB 1 1
5 849 1 1 7 TYR CD1 C -1.758 -4.538 -6.186 1.00 . A A . 7 TYR CD1 1 1
5 850 1 1 7 TYR CD2 C 0.063 -5.871 -7.072 1.00 . A A . 7 TYR CD2 1 1
5 851 1 1 7 TYR CE1 C -2.697 -5.393 -6.830 1.00 . A A . 7 TYR CE1 1 1
5 852 1 1 7 TYR CE2 C -0.871 -6.724 -7.716 1.00 . A A . 7 TYR CE2 1 1
5 853 1 1 7 TYR CG C -0.370 -4.771 -6.304 1.00 . A A . 7 TYR CG 1 1
5 854 1 1 7 TYR CZ C -2.240 -6.475 -7.592 1.00 . A A . 7 TYR CZ 1 1
5 855 1 1 7 TYR H H -0.448 -4.019 -3.123 1.00 . A A . 7 TYR H 1 1
5 856 1 1 7 TYR HA H 1.750 -5.384 -4.634 1.00 . A A . 7 TYR HA 1 1
5 857 1 1 7 TYR HB2 H 0.133 -2.922 -5.374 1.00 . A A . 7 TYR HB2 1 1
5 858 1 1 7 TYR HB3 H 1.433 -3.639 -6.334 1.00 . A A . 7 TYR HB3 1 1
5 859 1 1 7 TYR HD1 H -2.113 -3.699 -5.606 1.00 . A A . 7 TYR HD1 1 1
5 860 1 1 7 TYR HD2 H 1.123 -6.063 -7.179 1.00 . A A . 7 TYR HD2 1 1
5 861 1 1 7 TYR HE1 H -3.755 -5.203 -6.742 1.00 . A A . 7 TYR HE1 1 1
5 862 1 1 7 TYR HE2 H -0.526 -7.559 -8.308 1.00 . A A . 7 TYR HE2 1 1
5 863 1 1 7 TYR HH H -4.039 -6.983 -8.160 1.00 . A A . 7 TYR HH 1 1
5 864 1 1 7 TYR N N 0.182 -4.761 -3.395 1.00 . A A . 7 TYR N 1 1
5 865 1 1 7 TYR O O 3.462 -3.641 -4.056 1.00 . A A . 7 TYR O 1 1
5 866 1 1 7 TYR OH O -3.136 -7.297 -8.227 1.00 . A A . 7 TYR OH 1 1
5 867 1 1 8 VAL C C 2.394 -1.399 -0.966 1.00 . A A . 8 VAL C 1 1
5 868 1 1 8 VAL CA C 2.704 -1.514 -2.462 1.00 . A A . 8 VAL CA 1 1
5 869 1 1 8 VAL CB C 2.500 -0.170 -3.230 1.00 . A A . 8 VAL CB 1 1
5 870 1 1 8 VAL CG1 C 2.588 1.025 -2.315 1.00 . A A . 8 VAL CG1 1 1
5 871 1 1 8 VAL CG2 C 3.519 -0.054 -4.370 1.00 . A A . 8 VAL CG2 1 1
5 872 1 1 8 VAL H H 0.837 -2.411 -2.858 1.00 . A A . 8 VAL H 1 1
5 873 1 1 8 VAL HA H 3.738 -1.833 -2.577 1.00 . A A . 8 VAL HA 1 1
5 874 1 1 8 VAL HB H 1.503 -0.180 -3.666 1.00 . A A . 8 VAL HB 1 1
5 875 1 1 8 VAL HG11 H 3.536 1.021 -1.782 1.00 . A A . 8 VAL HG11 1 1
5 876 1 1 8 VAL HG12 H 1.760 0.982 -1.609 1.00 . A A . 8 VAL HG12 1 1
5 877 1 1 8 VAL HG13 H 2.505 1.939 -2.901 1.00 . A A . 8 VAL HG13 1 1
5 878 1 1 8 VAL HG21 H 3.430 -0.921 -5.030 1.00 . A A . 8 VAL HG21 1 1
5 879 1 1 8 VAL HG22 H 4.531 -0.015 -3.965 1.00 . A A . 8 VAL HG22 1 1
5 880 1 1 8 VAL HG23 H 3.324 0.851 -4.945 1.00 . A A . 8 VAL HG23 1 1
5 881 1 1 8 VAL N N 1.822 -2.510 -3.041 1.00 . A A . 8 VAL N 1 1
5 882 1 1 8 VAL O O 1.230 -1.236 -0.573 1.00 . A A . 8 VAL O 1 1
5 883 1 1 9 ORN C C 3.705 0.455 1.335 1.00 . A A . 9 ORN C 1 1
5 884 1 1 9 ORN CA C 3.428 -1.069 1.259 1.00 . A A . 9 ORN CA 1 1
5 885 1 1 9 ORN CB C 4.494 -1.873 2.056 1.00 . A A . 9 ORN CB 1 1
5 886 1 1 9 ORN CD C 5.665 -1.945 4.328 1.00 . A A . 9 ORN CD 1 1
5 887 1 1 9 ORN CG C 4.342 -1.673 3.592 1.00 . A A . 9 ORN CG 1 1
5 888 1 1 9 ORN H H 4.352 -1.667 -0.559 1.00 . A A . 9 ORN H 1 1
5 889 1 1 9 ORN HA H 2.442 -1.273 1.676 1.00 . A A . 9 ORN HA 1 1
5 890 1 1 9 ORN HB2 H 4.392 -2.936 1.824 1.00 . A A . 9 ORN HB2 1 1
5 891 1 1 9 ORN HB3 H 5.487 -1.541 1.740 1.00 . A A . 9 ORN HB3 1 1
5 892 1 1 9 ORN HD2 H 5.735 -3.010 4.566 1.00 . A A . 9 ORN HD2 1 1
5 893 1 1 9 ORN HD3 H 6.501 -1.673 3.677 1.00 . A A . 9 ORN HD3 1 1
5 894 1 1 9 ORN HE1 H 6.651 -1.285 6.011 1.00 . A A . 9 ORN HE1 1 1
5 895 1 1 9 ORN HE2 H 5.636 -0.158 5.351 1.00 . A A . 9 ORN HE2 1 1
5 896 1 1 9 ORN HE3 H 5.019 -1.425 6.214 1.00 . A A . 9 ORN HE3 1 1
5 897 1 1 9 ORN HG2 H 4.037 -0.651 3.800 1.00 . A A . 9 ORN HG2 1 1
5 898 1 1 9 ORN HG3 H 3.572 -2.350 3.969 1.00 . A A . 9 ORN HG3 1 1
5 899 1 1 9 ORN N N 3.447 -1.501 -0.150 1.00 . A A . 9 ORN N 1 1
5 900 1 1 9 ORN NE N 5.750 -1.145 5.574 1.00 . A A . 9 ORN NE 1 1
5 901 1 1 9 ORN O O 4.575 0.962 0.617 1.00 . A A . 9 ORN O 1 1
5 902 1 1 10 LEU C C 4.095 2.808 3.794 1.00 . A A . 10 LEU C 1 1
5 903 1 1 10 LEU CA C 3.238 2.548 2.548 1.00 . A A . 10 LEU CA 1 1
5 904 1 1 10 LEU CB C 1.874 3.209 2.656 1.00 . A A . 10 LEU CB 1 1
5 905 1 1 10 LEU CD1 C 1.559 3.816 0.201 1.00 . A A . 10 LEU CD1 1 1
5 906 1 1 10 LEU CD2 C 0.626 5.208 2.021 1.00 . A A . 10 LEU CD2 1 1
5 907 1 1 10 LEU CG C 1.759 4.341 1.632 1.00 . A A . 10 LEU CG 1 1
5 908 1 1 10 LEU H H 2.415 0.660 2.872 1.00 . A A . 10 LEU H 1 1
5 909 1 1 10 LEU HA H 3.719 2.989 1.705 1.00 . A A . 10 LEU HA 1 1
5 910 1 1 10 LEU HB2 H 1.109 2.472 2.456 1.00 . A A . 10 LEU HB2 1 1
5 911 1 1 10 LEU HB3 H 1.719 3.600 3.659 1.00 . A A . 10 LEU HB3 1 1
5 912 1 1 10 LEU HD11 H 1.466 4.659 -0.486 1.00 . A A . 10 LEU HD11 1 1
5 913 1 1 10 LEU HD12 H 0.657 3.209 0.148 1.00 . A A . 10 LEU HD12 1 1
5 914 1 1 10 LEU HD13 H 2.420 3.216 -0.097 1.00 . A A . 10 LEU HD13 1 1
5 915 1 1 10 LEU HD21 H 0.542 6.026 1.313 1.00 . A A . 10 LEU HD21 1 1
5 916 1 1 10 LEU HD22 H 0.815 5.610 3.013 1.00 . A A . 10 LEU HD22 1 1
5 917 1 1 10 LEU HD23 H -0.294 4.628 2.029 1.00 . A A . 10 LEU HD23 1 1
5 918 1 1 10 LEU HG H 2.671 4.936 1.664 1.00 . A A . 10 LEU HG 1 1
5 919 1 1 10 LEU N N 3.059 1.131 2.287 1.00 . A A . 10 LEU N 1 1
5 920 1 1 10 LEU O O 4.754 1.886 4.304 1.00 . A A . 10 LEU O 1 1
6 921 1 1 1 . C C 4.061 4.367 6.833 1.00 . A A . 1 DPN C 1 1
6 922 1 1 1 . CA C 4.731 4.541 5.470 1.00 . A A . 1 DPN CA 1 1
6 923 1 1 1 . CB C 6.146 4.057 5.388 1.00 . A A . 1 DPN CB 1 1
6 924 1 1 1 . CD1 C 7.632 4.881 7.265 1.00 . A A . 1 DPN CD1 1 1
6 925 1 1 1 . CD2 C 7.622 6.100 5.166 1.00 . A A . 1 DPN CD2 1 1
6 926 1 1 1 . CE1 C 8.571 5.799 7.802 1.00 . A A . 1 DPN CE1 1 1
6 927 1 1 1 . CE2 C 8.561 7.026 5.692 1.00 . A A . 1 DPN CE2 1 1
6 928 1 1 1 . CG C 7.153 5.027 5.949 1.00 . A A . 1 DPN CG 1 1
6 929 1 1 1 . CZ C 9.034 6.873 7.012 1.00 . A A . 1 DPN CZ 1 1
6 930 1 1 1 . H1 H 3.383 4.673 3.852 1.00 . A A . 1 DPN H1 1 1
6 931 1 1 1 . HA H 4.814 5.631 5.349 1.00 . A A . 1 DPN HA 1 1
6 932 1 1 1 . HB2 H 6.242 3.092 5.882 1.00 . A A . 1 DPN HB2 1 1
6 933 1 1 1 . HB3 H 6.301 3.948 4.315 1.00 . A A . 1 DPN HB3 1 1
6 934 1 1 1 . HD1 H 7.274 4.065 7.878 1.00 . A A . 1 DPN HD1 1 1
6 935 1 1 1 . HD2 H 7.258 6.229 4.158 1.00 . A A . 1 DPN HD2 1 1
6 936 1 1 1 . HE1 H 8.924 5.681 8.816 1.00 . A A . 1 DPN HE1 1 1
6 937 1 1 1 . HE2 H 8.906 7.850 5.086 1.00 . A A . 1 DPN HE2 1 1
6 938 1 1 1 . HZ H 9.742 7.579 7.420 1.00 . A A . 1 DPN HZ 1 1
6 939 1 1 1 . N N 3.959 4.029 4.318 1.00 . A A . 1 DPN N 1 1
6 940 1 1 1 . O O 4.442 5.026 7.788 1.00 . A A . 1 DPN O 1 1
6 941 1 1 2 BE2 C C 1.434 0.964 6.753 1.00 . A A . 2 BE2 C 1 1
6 942 1 1 2 BE2 C1 C 1.381 1.908 7.956 1.00 . A A . 2 BE2 C1 1 1
6 943 1 1 2 BE2 C2 C 2.170 3.100 7.999 1.00 . A A . 2 BE2 C2 1 1
6 944 1 1 2 BE2 C3 C 2.082 3.940 9.140 1.00 . A A . 2 BE2 C3 1 1
6 945 1 1 2 BE2 C4 C 1.251 3.610 10.215 1.00 . A A . 2 BE2 C4 1 1
6 946 1 1 2 BE2 C5 C 0.490 2.446 10.183 1.00 . A A . 2 BE2 C5 1 1
6 947 1 1 2 BE2 C6 C 0.542 1.602 9.070 1.00 . A A . 2 BE2 C6 1 1
6 948 1 1 2 BE2 H3 H 2.648 4.858 9.204 1.00 . A A . 2 BE2 H3 1 1
6 949 1 1 2 BE2 H4 H 1.199 4.270 11.079 1.00 . A A . 2 BE2 H4 1 1
6 950 1 1 2 BE2 H5 H -0.155 2.199 11.023 1.00 . A A . 2 BE2 H5 1 1
6 951 1 1 2 BE2 H6 H -0.068 0.706 9.088 1.00 . A A . 2 BE2 H6 1 1
6 952 1 1 2 BE2 HN21 H 2.822 2.922 6.035 1.00 . A A . 2 BE2 HN21 1 1
6 953 1 1 2 BE2 N2 N 3.018 3.442 6.886 1.00 . A A . 2 BE2 N2 1 1
6 954 1 1 2 BE2 O1 O 2.181 1.143 5.799 1.00 . A A . 2 BE2 O1 1 1
6 955 1 1 3 PHE C C -0.421 -0.670 4.666 1.00 . A A . 3 PHE C 1 1
6 956 1 1 3 PHE CA C 0.513 -1.139 5.768 1.00 . A A . 3 PHE CA 1 1
6 957 1 1 3 PHE CB C 0.012 -2.462 6.348 1.00 . A A . 3 PHE CB 1 1
6 958 1 1 3 PHE CD1 C 2.059 -3.757 7.078 1.00 . A A . 3 PHE CD1 1 1
6 959 1 1 3 PHE CD2 C 0.601 -2.828 8.782 1.00 . A A . 3 PHE CD2 1 1
6 960 1 1 3 PHE CE1 C 2.910 -4.282 8.084 1.00 . A A . 3 PHE CE1 1 1
6 961 1 1 3 PHE CE2 C 1.443 -3.348 9.797 1.00 . A A . 3 PHE CE2 1 1
6 962 1 1 3 PHE CG C 0.904 -3.026 7.421 1.00 . A A . 3 PHE CG 1 1
6 963 1 1 3 PHE CZ C 2.600 -4.074 9.445 1.00 . A A . 3 PHE CZ 1 1
6 964 1 1 3 PHE H H -0.028 -0.192 7.603 1.00 . A A . 3 PHE H 1 1
6 965 1 1 3 PHE HA H 1.512 -1.288 5.352 1.00 . A A . 3 PHE HA 1 1
6 966 1 1 3 PHE HB2 H -0.983 -2.308 6.765 1.00 . A A . 3 PHE HB2 1 1
6 967 1 1 3 PHE HB3 H -0.063 -3.191 5.540 1.00 . A A . 3 PHE HB3 1 1
6 968 1 1 3 PHE HD1 H 2.299 -3.923 6.038 1.00 . A A . 3 PHE HD1 1 1
6 969 1 1 3 PHE HD2 H -0.286 -2.277 9.060 1.00 . A A . 3 PHE HD2 1 1
6 970 1 1 3 PHE HE1 H 3.790 -4.846 7.810 1.00 . A A . 3 PHE HE1 1 1
6 971 1 1 3 PHE HE2 H 1.197 -3.193 10.838 1.00 . A A . 3 PHE HE2 1 1
6 972 1 1 3 PHE HZ H 3.242 -4.477 10.215 1.00 . A A . 3 PHE HZ 1 1
6 973 1 1 3 PHE N N 0.579 -0.114 6.806 1.00 . A A . 3 PHE N 1 1
6 974 1 1 3 PHE O O -1.538 -0.249 4.942 1.00 . A A . 3 PHE O 1 1
6 975 1 1 4 . C C -1.453 -1.468 1.661 1.00 . A A . 4 DPN C 1 1
6 976 1 1 4 . CA C -0.562 -0.344 2.181 1.00 . A A . 4 DPN CA 1 1
6 977 1 1 4 . CB C -1.296 1.018 2.255 1.00 . A A . 4 DPN CB 1 1
6 978 1 1 4 . CD1 C -2.939 1.386 0.368 1.00 . A A . 4 DPN CD1 1 1
6 979 1 1 4 . CD2 C -3.784 0.586 2.497 1.00 . A A . 4 DPN CD2 1 1
6 980 1 1 4 . CE1 C -4.251 1.367 -0.169 1.00 . A A . 4 DPN CE1 1 1
6 981 1 1 4 . CE2 C -5.099 0.556 1.971 1.00 . A A . 4 DPN CE2 1 1
6 982 1 1 4 . CG C -2.698 0.993 1.699 1.00 . A A . 4 DPN CG 1 1
6 983 1 1 4 . CZ C -5.332 0.949 0.637 1.00 . A A . 4 DPN CZ 1 1
6 984 1 1 4 . HA H 0.230 -0.218 1.451 1.00 . A A . 4 DPN HA 1 1
6 985 1 1 4 . HB2 H -1.316 1.381 3.281 1.00 . A A . 4 DPN HB2 1 1
6 986 1 1 4 . HB3 H -0.728 1.734 1.671 1.00 . A A . 4 DPN HB3 1 1
6 987 1 1 4 . HD1 H -2.116 1.710 -0.253 1.00 . A A . 4 DPN HD1 1 1
6 988 1 1 4 . HD2 H -3.612 0.282 3.523 1.00 . A A . 4 DPN HD2 1 1
6 989 1 1 4 . HE1 H -4.427 1.680 -1.188 1.00 . A A . 4 DPN HE1 1 1
6 990 1 1 4 . HE2 H -5.922 0.240 2.596 1.00 . A A . 4 DPN HE2 1 1
6 991 1 1 4 . HZ H -6.335 0.936 0.237 1.00 . A A . 4 DPN HZ 1 1
6 992 1 1 4 . N N 0.092 -0.757 3.440 1.00 . A A . 4 DPN N 1 1
6 993 1 1 4 . O O -2.146 -2.144 2.410 1.00 . A A . 4 DPN O 1 1
6 994 1 1 5 ASN C C -1.217 -3.839 -0.655 1.00 . A A . 5 ASN C 1 1
6 995 1 1 5 ASN CA C -2.187 -2.712 -0.297 1.00 . A A . 5 ASN CA 1 1
6 996 1 1 5 ASN CB C -2.931 -2.152 -1.523 1.00 . A A . 5 ASN CB 1 1
6 997 1 1 5 ASN CG C -2.002 -1.607 -2.572 1.00 . A A . 5 ASN CG 1 1
6 998 1 1 5 ASN H H -0.780 -1.102 -0.215 1.00 . A A . 5 ASN H 1 1
6 999 1 1 5 ASN HA H -2.926 -3.101 0.405 1.00 . A A . 5 ASN HA 1 1
6 1000 1 1 5 ASN HB2 H -3.537 -2.939 -1.967 1.00 . A A . 5 ASN HB2 1 1
6 1001 1 1 5 ASN HB3 H -3.600 -1.353 -1.196 1.00 . A A . 5 ASN HB3 1 1
6 1002 1 1 5 ASN HD21 H -1.470 0.077 -3.503 1.00 . A A . 5 ASN HD21 1 1
6 1003 1 1 5 ASN HD22 H -2.712 0.246 -2.287 1.00 . A A . 5 ASN HD22 1 1
6 1004 1 1 5 ASN N N -1.402 -1.671 0.354 1.00 . A A . 5 ASN N 1 1
6 1005 1 1 5 ASN ND2 N -2.068 -0.327 -2.801 1.00 . A A . 5 ASN ND2 1 1
6 1006 1 1 5 ASN O O -0.028 -3.746 -0.372 1.00 . A A . 5 ASN O 1 1
6 1007 1 1 5 ASN OD1 O -1.241 -2.342 -3.176 1.00 . A A . 5 ASN OD1 1 1
6 1008 1 1 6 LYS C C 0.262 -5.895 -2.518 1.00 . A A . 6 LYS C 1 1
6 1009 1 1 6 LYS CA C -0.922 -6.097 -1.568 1.00 . A A . 6 LYS CA 1 1
6 1010 1 1 6 LYS CB C -1.817 -7.188 -2.166 1.00 . A A . 6 LYS CB 1 1
6 1011 1 1 6 LYS CD C -3.619 -8.921 -1.732 1.00 . A A . 6 LYS CD 1 1
6 1012 1 1 6 LYS CE C -4.303 -8.780 -3.098 1.00 . A A . 6 LYS CE 1 1
6 1013 1 1 6 LYS CG C -2.974 -7.610 -1.259 1.00 . A A . 6 LYS CG 1 1
6 1014 1 1 6 LYS H H -2.700 -4.906 -1.519 1.00 . A A . 6 LYS H 1 1
6 1015 1 1 6 LYS HA H -0.513 -6.470 -0.628 1.00 . A A . 6 LYS HA 1 1
6 1016 1 1 6 LYS HB2 H -2.220 -6.825 -3.112 1.00 . A A . 6 LYS HB2 1 1
6 1017 1 1 6 LYS HB3 H -1.199 -8.063 -2.369 1.00 . A A . 6 LYS HB3 1 1
6 1018 1 1 6 LYS HD2 H -2.847 -9.690 -1.796 1.00 . A A . 6 LYS HD2 1 1
6 1019 1 1 6 LYS HD3 H -4.361 -9.231 -0.994 1.00 . A A . 6 LYS HD3 1 1
6 1020 1 1 6 LYS HE2 H -5.034 -7.970 -3.050 1.00 . A A . 6 LYS HE2 1 1
6 1021 1 1 6 LYS HE3 H -3.553 -8.534 -3.855 1.00 . A A . 6 LYS HE3 1 1
6 1022 1 1 6 LYS HG2 H -2.595 -7.752 -0.248 1.00 . A A . 6 LYS HG2 1 1
6 1023 1 1 6 LYS HG3 H -3.729 -6.822 -1.246 1.00 . A A . 6 LYS HG3 1 1
6 1024 1 1 6 LYS HZ1 H -4.327 -10.809 -3.539 1.00 . A A . 6 LYS HZ1 1 1
6 1025 1 1 6 LYS HZ2 H -5.433 -9.941 -4.399 1.00 . A A . 6 LYS HZ2 1 1
6 1026 1 1 6 LYS HZ3 H -5.710 -10.282 -2.809 1.00 . A A . 6 LYS HZ3 1 1
6 1027 1 1 6 LYS N N -1.727 -4.903 -1.266 1.00 . A A . 6 LYS N 1 1
6 1028 1 1 6 LYS NZ N -5.000 -10.055 -3.492 1.00 . A A . 6 LYS NZ 1 1
6 1029 1 1 6 LYS O O 1.093 -6.782 -2.637 1.00 . A A . 6 LYS O 1 1
6 1030 1 1 7 TYR C C 2.266 -3.315 -3.748 1.00 . A A . 7 TYR C 1 1
6 1031 1 1 7 TYR CA C 1.394 -4.498 -4.158 1.00 . A A . 7 TYR CA 1 1
6 1032 1 1 7 TYR CB C 0.774 -4.232 -5.531 1.00 . A A . 7 TYR CB 1 1
6 1033 1 1 7 TYR CD1 C 0.343 -6.524 -6.546 1.00 . A A . 7 TYR CD1 1 1
6 1034 1 1 7 TYR CD2 C -1.558 -5.223 -5.787 1.00 . A A . 7 TYR CD2 1 1
6 1035 1 1 7 TYR CE1 C -0.531 -7.575 -6.935 1.00 . A A . 7 TYR CE1 1 1
6 1036 1 1 7 TYR CE2 C -2.433 -6.274 -6.174 1.00 . A A . 7 TYR CE2 1 1
6 1037 1 1 7 TYR CG C -0.161 -5.341 -5.966 1.00 . A A . 7 TYR CG 1 1
6 1038 1 1 7 TYR CZ C -1.909 -7.441 -6.739 1.00 . A A . 7 TYR CZ 1 1
6 1039 1 1 7 TYR H H -0.376 -4.047 -3.052 1.00 . A A . 7 TYR H 1 1
6 1040 1 1 7 TYR HA H 2.030 -5.379 -4.231 1.00 . A A . 7 TYR HA 1 1
6 1041 1 1 7 TYR HB2 H 0.215 -3.298 -5.493 1.00 . A A . 7 TYR HB2 1 1
6 1042 1 1 7 TYR HB3 H 1.574 -4.130 -6.265 1.00 . A A . 7 TYR HB3 1 1
6 1043 1 1 7 TYR HD1 H 1.409 -6.636 -6.691 1.00 . A A . 7 TYR HD1 1 1
6 1044 1 1 7 TYR HD2 H -1.964 -4.324 -5.347 1.00 . A A . 7 TYR HD2 1 1
6 1045 1 1 7 TYR HE1 H -0.131 -8.474 -7.381 1.00 . A A . 7 TYR HE1 1 1
6 1046 1 1 7 TYR HE2 H -3.499 -6.174 -6.035 1.00 . A A . 7 TYR HE2 1 1
6 1047 1 1 7 TYR HH H -2.303 -9.160 -7.577 1.00 . A A . 7 TYR HH 1 1
6 1048 1 1 7 TYR N N 0.326 -4.759 -3.193 1.00 . A A . 7 TYR N 1 1
6 1049 1 1 7 TYR O O 3.472 -3.329 -3.955 1.00 . A A . 7 TYR O 1 1
6 1050 1 1 7 TYR OH O -2.755 -8.457 -7.103 1.00 . A A . 7 TYR OH 1 1
6 1051 1 1 8 VAL C C 2.215 -1.015 -1.231 1.00 . A A . 8 VAL C 1 1
6 1052 1 1 8 VAL CA C 2.350 -1.107 -2.754 1.00 . A A . 8 VAL CA 1 1
6 1053 1 1 8 VAL CB C 1.708 0.094 -3.479 1.00 . A A . 8 VAL CB 1 1
6 1054 1 1 8 VAL CG1 C 2.047 1.349 -2.811 1.00 . A A . 8 VAL CG1 1 1
6 1055 1 1 8 VAL CG2 C 2.130 0.115 -4.960 1.00 . A A . 8 VAL CG2 1 1
6 1056 1 1 8 VAL H H 0.667 -2.278 -3.008 1.00 . A A . 8 VAL H 1 1
6 1057 1 1 8 VAL HA H 3.407 -1.171 -3.015 1.00 . A A . 8 VAL HA 1 1
6 1058 1 1 8 VAL HB H 0.626 -0.020 -3.436 1.00 . A A . 8 VAL HB 1 1
6 1059 1 1 8 VAL HG11 H 1.545 1.349 -1.852 1.00 . A A . 8 VAL HG11 1 1
6 1060 1 1 8 VAL HG12 H 1.694 2.185 -3.402 1.00 . A A . 8 VAL HG12 1 1
6 1061 1 1 8 VAL HG13 H 3.122 1.412 -2.669 1.00 . A A . 8 VAL HG13 1 1
6 1062 1 1 8 VAL HG21 H 1.661 0.961 -5.463 1.00 . A A . 8 VAL HG21 1 1
6 1063 1 1 8 VAL HG22 H 1.812 -0.807 -5.448 1.00 . A A . 8 VAL HG22 1 1
6 1064 1 1 8 VAL HG23 H 3.215 0.204 -5.035 1.00 . A A . 8 VAL HG23 1 1
6 1065 1 1 8 VAL N N 1.659 -2.286 -3.170 1.00 . A A . 8 VAL N 1 1
6 1066 1 1 8 VAL O O 1.117 -0.780 -0.698 1.00 . A A . 8 VAL O 1 1
6 1067 1 1 9 ORN C C 3.544 0.692 1.013 1.00 . A A . 9 ORN C 1 1
6 1068 1 1 9 ORN CA C 3.523 -0.856 0.866 1.00 . A A . 9 ORN CA 1 1
6 1069 1 1 9 ORN CB C 4.852 -1.494 1.371 1.00 . A A . 9 ORN CB 1 1
6 1070 1 1 9 ORN CD C 6.347 -0.924 3.372 1.00 . A A . 9 ORN CD 1 1
6 1071 1 1 9 ORN CG C 4.976 -1.488 2.926 1.00 . A A . 9 ORN CG 1 1
6 1072 1 1 9 ORN H H 4.176 -1.453 -1.068 1.00 . A A . 9 ORN H 1 1
6 1073 1 1 9 ORN HA H 2.687 -1.260 1.440 1.00 . A A . 9 ORN HA 1 1
6 1074 1 1 9 ORN HB2 H 4.898 -2.529 1.025 1.00 . A A . 9 ORN HB2 1 1
6 1075 1 1 9 ORN HB3 H 5.688 -0.948 0.928 1.00 . A A . 9 ORN HB3 1 1
6 1076 1 1 9 ORN HD2 H 7.105 -1.707 3.279 1.00 . A A . 9 ORN HD2 1 1
6 1077 1 1 9 ORN HD3 H 6.621 -0.093 2.718 1.00 . A A . 9 ORN HD3 1 1
6 1078 1 1 9 ORN HE1 H 6.046 -1.177 5.402 1.00 . A A . 9 ORN HE1 1 1
6 1079 1 1 9 ORN HE2 H 7.219 -0.080 5.035 1.00 . A A . 9 ORN HE2 1 1
6 1080 1 1 9 ORN HE3 H 5.633 0.330 4.844 1.00 . A A . 9 ORN HE3 1 1
6 1081 1 1 9 ORN HG2 H 4.182 -0.884 3.363 1.00 . A A . 9 ORN HG2 1 1
6 1082 1 1 9 ORN HG3 H 4.871 -2.514 3.291 1.00 . A A . 9 ORN HG3 1 1
6 1083 1 1 9 ORN N N 3.344 -1.216 -0.550 1.00 . A A . 9 ORN N 1 1
6 1084 1 1 9 ORN NE N 6.308 -0.432 4.773 1.00 . A A . 9 ORN NE 1 1
6 1085 1 1 9 ORN O O 4.059 1.385 0.129 1.00 . A A . 9 ORN O 1 1
6 1086 1 1 10 LEU C C 4.020 2.803 3.797 1.00 . A A . 10 LEU C 1 1
6 1087 1 1 10 LEU CA C 3.193 2.602 2.533 1.00 . A A . 10 LEU CA 1 1
6 1088 1 1 10 LEU CB C 1.768 3.135 2.701 1.00 . A A . 10 LEU CB 1 1
6 1089 1 1 10 LEU CD1 C 2.046 5.498 1.808 1.00 . A A . 10 LEU CD1 1 1
6 1090 1 1 10 LEU CD2 C 1.250 3.689 0.258 1.00 . A A . 10 LEU CD2 1 1
6 1091 1 1 10 LEU CG C 1.245 4.196 1.709 1.00 . A A . 10 LEU CG 1 1
6 1092 1 1 10 LEU H H 2.823 0.577 2.897 1.00 . A A . 10 LEU H 1 1
6 1093 1 1 10 LEU HA H 3.660 3.120 1.734 1.00 . A A . 10 LEU HA 1 1
6 1094 1 1 10 LEU HB2 H 1.129 2.286 2.625 1.00 . A A . 10 LEU HB2 1 1
6 1095 1 1 10 LEU HB3 H 1.648 3.527 3.708 1.00 . A A . 10 LEU HB3 1 1
6 1096 1 1 10 LEU HD11 H 3.085 5.326 1.522 1.00 . A A . 10 LEU HD11 1 1
6 1097 1 1 10 LEU HD12 H 1.999 5.884 2.826 1.00 . A A . 10 LEU HD12 1 1
6 1098 1 1 10 LEU HD13 H 1.613 6.240 1.135 1.00 . A A . 10 LEU HD13 1 1
6 1099 1 1 10 LEU HD21 H 0.744 2.727 0.202 1.00 . A A . 10 LEU HD21 1 1
6 1100 1 1 10 LEU HD22 H 2.273 3.582 -0.107 1.00 . A A . 10 LEU HD22 1 1
6 1101 1 1 10 LEU HD23 H 0.721 4.404 -0.374 1.00 . A A . 10 LEU HD23 1 1
6 1102 1 1 10 LEU HG H 0.214 4.418 1.980 1.00 . A A . 10 LEU HG 1 1
6 1103 1 1 10 LEU N N 3.153 1.187 2.191 1.00 . A A . 10 LEU N 1 1
6 1104 1 1 10 LEU O O 4.664 1.858 4.264 1.00 . A A . 10 LEU O 1 1
7 1105 1 1 1 . C C 3.721 4.452 6.808 1.00 . A A . 1 DPN C 1 1
7 1106 1 1 1 . CA C 4.449 4.699 5.486 1.00 . A A . 1 DPN CA 1 1
7 1107 1 1 1 . CB C 5.883 4.282 5.460 1.00 . A A . 1 DPN CB 1 1
7 1108 1 1 1 . CD1 C 7.204 5.185 7.422 1.00 . A A . 1 DPN CD1 1 1
7 1109 1 1 1 . CD2 C 7.305 6.368 5.304 1.00 . A A . 1 DPN CD2 1 1
7 1110 1 1 1 . CE1 C 8.072 6.144 8.006 1.00 . A A . 1 DPN CE1 1 1
7 1111 1 1 1 . CE2 C 8.172 7.334 5.878 1.00 . A A . 1 DPN CE2 1 1
7 1112 1 1 1 . CG C 6.816 5.292 6.072 1.00 . A A . 1 DPN CG 1 1
7 1113 1 1 1 . CZ C 8.556 7.219 7.229 1.00 . A A . 1 DPN CZ 1 1
7 1114 1 1 1 . H1 H 3.173 4.829 3.810 1.00 . A A . 1 DPN H1 1 1
7 1115 1 1 1 . HA H 4.489 5.795 5.406 1.00 . A A . 1 DPN HA 1 1
7 1116 1 1 1 . HB2 H 6.005 3.315 5.947 1.00 . A A . 1 DPN HB2 1 1
7 1117 1 1 1 . HB3 H 6.089 4.196 4.395 1.00 . A A . 1 DPN HB3 1 1
7 1118 1 1 1 . HD1 H 6.831 4.369 8.024 1.00 . A A . 1 DPN HD1 1 1
7 1119 1 1 1 . HD2 H 7.011 6.466 4.269 1.00 . A A . 1 DPN HD2 1 1
7 1120 1 1 1 . HE1 H 8.355 6.056 9.045 1.00 . A A . 1 DPN HE1 1 1
7 1121 1 1 1 . HE2 H 8.533 8.159 5.281 1.00 . A A . 1 DPN HE2 1 1
7 1122 1 1 1 . HZ H 9.211 7.955 7.672 1.00 . A A . 1 DPN HZ 1 1
7 1123 1 1 1 . N N 3.751 4.191 4.283 1.00 . A A . 1 DPN N 1 1
7 1124 1 1 1 . O O 3.873 5.229 7.736 1.00 . A A . 1 DPN O 1 1
7 1125 1 1 2 BE2 C C 1.464 0.763 6.464 1.00 . A A . 2 BE2 C 1 1
7 1126 1 1 2 BE2 C1 C 1.335 1.600 7.742 1.00 . A A . 2 BE2 C1 1 1
7 1127 1 1 2 BE2 C2 C 2.043 2.837 7.905 1.00 . A A . 2 BE2 C2 1 1
7 1128 1 1 2 BE2 C3 C 1.867 3.569 9.110 1.00 . A A . 2 BE2 C3 1 1
7 1129 1 1 2 BE2 C4 C 1.029 3.102 10.125 1.00 . A A . 2 BE2 C4 1 1
7 1130 1 1 2 BE2 C5 C 0.342 1.903 9.972 1.00 . A A . 2 BE2 C5 1 1
7 1131 1 1 2 BE2 C6 C 0.484 1.155 8.801 1.00 . A A . 2 BE2 C6 1 1
7 1132 1 1 2 BE2 H3 H 2.370 4.509 9.275 1.00 . A A . 2 BE2 H3 1 1
7 1133 1 1 2 BE2 H4 H 0.907 3.684 11.036 1.00 . A A . 2 BE2 H4 1 1
7 1134 1 1 2 BE2 H5 H -0.317 1.552 10.764 1.00 . A A . 2 BE2 H5 1 1
7 1135 1 1 2 BE2 H6 H -0.078 0.232 8.723 1.00 . A A . 2 BE2 H6 1 1
7 1136 1 1 2 BE2 HN21 H 2.892 2.757 6.007 1.00 . A A . 2 BE2 HN21 1 1
7 1137 1 1 2 BE2 N2 N 2.900 3.325 6.845 1.00 . A A . 2 BE2 N2 1 1
7 1138 1 1 2 BE2 O1 O 2.159 1.097 5.514 1.00 . A A . 2 BE2 O1 1 1
7 1139 1 1 3 PHE C C -0.332 -0.820 4.330 1.00 . A A . 3 PHE C 1 1
7 1140 1 1 3 PHE CA C 0.717 -1.324 5.306 1.00 . A A . 3 PHE CA 1 1
7 1141 1 1 3 PHE CB C 0.387 -2.745 5.765 1.00 . A A . 3 PHE CB 1 1
7 1142 1 1 3 PHE CD1 C 2.558 -3.953 6.241 1.00 . A A . 3 PHE CD1 1 1
7 1143 1 1 3 PHE CD2 C 1.197 -3.223 8.115 1.00 . A A . 3 PHE CD2 1 1
7 1144 1 1 3 PHE CE1 C 3.521 -4.481 7.139 1.00 . A A . 3 PHE CE1 1 1
7 1145 1 1 3 PHE CE2 C 2.152 -3.746 9.021 1.00 . A A . 3 PHE CE2 1 1
7 1146 1 1 3 PHE CG C 1.398 -3.316 6.723 1.00 . A A . 3 PHE CG 1 1
7 1147 1 1 3 PHE CZ C 3.315 -4.376 8.531 1.00 . A A . 3 PHE CZ 1 1
7 1148 1 1 3 PHE H H 0.172 -0.621 7.247 1.00 . A A . 3 PHE H 1 1
7 1149 1 1 3 PHE HA H 1.690 -1.317 4.828 1.00 . A A . 3 PHE HA 1 1
7 1150 1 1 3 PHE HB2 H -0.589 -2.741 6.248 1.00 . A A . 3 PHE HB2 1 1
7 1151 1 1 3 PHE HB3 H 0.332 -3.392 4.888 1.00 . A A . 3 PHE HB3 1 1
7 1152 1 1 3 PHE HD1 H 2.720 -4.041 5.177 1.00 . A A . 3 PHE HD1 1 1
7 1153 1 1 3 PHE HD2 H 0.306 -2.745 8.499 1.00 . A A . 3 PHE HD2 1 1
7 1154 1 1 3 PHE HE1 H 4.406 -4.971 6.759 1.00 . A A . 3 PHE HE1 1 1
7 1155 1 1 3 PHE HE2 H 1.986 -3.671 10.087 1.00 . A A . 3 PHE HE2 1 1
7 1156 1 1 3 PHE HZ H 4.042 -4.784 9.220 1.00 . A A . 3 PHE HZ 1 1
7 1157 1 1 3 PHE N N 0.730 -0.406 6.443 1.00 . A A . 3 PHE N 1 1
7 1158 1 1 3 PHE O O -1.431 -0.500 4.737 1.00 . A A . 3 PHE O 1 1
7 1159 1 1 4 . C C -1.648 -1.279 1.331 1.00 . A A . 4 DPN C 1 1
7 1160 1 1 4 . CA C -0.720 -0.220 1.930 1.00 . A A . 4 DPN CA 1 1
7 1161 1 1 4 . CB C -1.412 1.142 2.227 1.00 . A A . 4 DPN CB 1 1
7 1162 1 1 4 . CD1 C -3.675 1.019 1.065 1.00 . A A . 4 DPN CD1 1 1
7 1163 1 1 4 . CD2 C -3.619 1.155 3.488 1.00 . A A . 4 DPN CD2 1 1
7 1164 1 1 4 . CE1 C -5.093 0.986 1.096 1.00 . A A . 4 DPN CE1 1 1
7 1165 1 1 4 . CE2 C -5.033 1.124 3.530 1.00 . A A . 4 DPN CE2 1 1
7 1166 1 1 4 . CG C -2.929 1.096 2.259 1.00 . A A . 4 DPN CG 1 1
7 1167 1 1 4 . CZ C -5.770 1.040 2.333 1.00 . A A . 4 DPN CZ 1 1
7 1168 1 1 4 . HA H 0.008 -0.007 1.151 1.00 . A A . 4 DPN HA 1 1
7 1169 1 1 4 . HB2 H -1.049 1.526 3.179 1.00 . A A . 4 DPN HB2 1 1
7 1170 1 1 4 . HB3 H -1.117 1.846 1.449 1.00 . A A . 4 DPN HB3 1 1
7 1171 1 1 4 . HD1 H -3.163 0.983 0.116 1.00 . A A . 4 DPN HD1 1 1
7 1172 1 1 4 . HD2 H -3.065 1.228 4.411 1.00 . A A . 4 DPN HD2 1 1
7 1173 1 1 4 . HE1 H -5.655 0.930 0.176 1.00 . A A . 4 DPN HE1 1 1
7 1174 1 1 4 . HE2 H -5.545 1.165 4.480 1.00 . A A . 4 DPN HE2 1 1
7 1175 1 1 4 . HZ H -6.850 1.024 2.363 1.00 . A A . 4 DPN HZ 1 1
7 1176 1 1 4 . N N 0.066 -0.755 3.063 1.00 . A A . 4 DPN N 1 1
7 1177 1 1 4 . O O -2.487 -1.874 1.997 1.00 . A A . 4 DPN O 1 1
7 1178 1 1 5 ASN C C -1.378 -3.719 -0.933 1.00 . A A . 5 ASN C 1 1
7 1179 1 1 5 ASN CA C -2.252 -2.483 -0.703 1.00 . A A . 5 ASN CA 1 1
7 1180 1 1 5 ASN CB C -2.767 -1.870 -2.021 1.00 . A A . 5 ASN CB 1 1
7 1181 1 1 5 ASN CG C -1.656 -1.454 -2.948 1.00 . A A . 5 ASN CG 1 1
7 1182 1 1 5 ASN H H -0.704 -1.029 -0.444 1.00 . A A . 5 ASN H 1 1
7 1183 1 1 5 ASN HA H -3.114 -2.778 -0.102 1.00 . A A . 5 ASN HA 1 1
7 1184 1 1 5 ASN HB2 H -3.395 -2.595 -2.535 1.00 . A A . 5 ASN HB2 1 1
7 1185 1 1 5 ASN HB3 H -3.381 -0.998 -1.791 1.00 . A A . 5 ASN HB3 1 1
7 1186 1 1 5 ASN HD21 H -0.838 0.136 -3.841 1.00 . A A . 5 ASN HD21 1 1
7 1187 1 1 5 ASN HD22 H -2.213 0.469 -2.816 1.00 . A A . 5 ASN HD22 1 1
7 1188 1 1 5 ASN N N -1.453 -1.515 0.043 1.00 . A A . 5 ASN N 1 1
7 1189 1 1 5 ASN ND2 N -1.562 -0.184 -3.219 1.00 . A A . 5 ASN ND2 1 1
7 1190 1 1 5 ASN O O -0.240 -3.767 -0.480 1.00 . A A . 5 ASN O 1 1
7 1191 1 1 5 ASN OD1 O -0.895 -2.278 -3.424 1.00 . A A . 5 ASN OD1 1 1
7 1192 1 1 6 LYS C C 0.113 -5.945 -2.573 1.00 . A A . 6 LYS C 1 1
7 1193 1 1 6 LYS CA C -1.226 -6.001 -1.830 1.00 . A A . 6 LYS CA 1 1
7 1194 1 1 6 LYS CB C -2.146 -6.967 -2.587 1.00 . A A . 6 LYS CB 1 1
7 1195 1 1 6 LYS CD C -4.217 -8.390 -2.588 1.00 . A A . 6 LYS CD 1 1
7 1196 1 1 6 LYS CE C -5.512 -8.760 -1.858 1.00 . A A . 6 LYS CE 1 1
7 1197 1 1 6 LYS CG C -3.409 -7.344 -1.819 1.00 . A A . 6 LYS CG 1 1
7 1198 1 1 6 LYS H H -2.837 -4.606 -2.016 1.00 . A A . 6 LYS H 1 1
7 1199 1 1 6 LYS HA H -1.018 -6.430 -0.850 1.00 . A A . 6 LYS HA 1 1
7 1200 1 1 6 LYS HB2 H -2.430 -6.512 -3.537 1.00 . A A . 6 LYS HB2 1 1
7 1201 1 1 6 LYS HB3 H -1.588 -7.879 -2.798 1.00 . A A . 6 LYS HB3 1 1
7 1202 1 1 6 LYS HD2 H -4.465 -7.992 -3.573 1.00 . A A . 6 LYS HD2 1 1
7 1203 1 1 6 LYS HD3 H -3.610 -9.288 -2.717 1.00 . A A . 6 LYS HD3 1 1
7 1204 1 1 6 LYS HE2 H -6.102 -7.854 -1.698 1.00 . A A . 6 LYS HE2 1 1
7 1205 1 1 6 LYS HE3 H -6.089 -9.442 -2.488 1.00 . A A . 6 LYS HE3 1 1
7 1206 1 1 6 LYS HG2 H -3.125 -7.750 -0.848 1.00 . A A . 6 LYS HG2 1 1
7 1207 1 1 6 LYS HG3 H -4.023 -6.456 -1.671 1.00 . A A . 6 LYS HG3 1 1
7 1208 1 1 6 LYS HZ1 H -4.717 -10.273 -0.672 1.00 . A A . 6 LYS HZ1 1 1
7 1209 1 1 6 LYS HZ2 H -6.129 -9.655 -0.084 1.00 . A A . 6 LYS HZ2 1 1
7 1210 1 1 6 LYS HZ3 H -4.728 -8.799 0.068 1.00 . A A . 6 LYS HZ3 1 1
7 1211 1 1 6 LYS N N -1.917 -4.717 -1.625 1.00 . A A . 6 LYS N 1 1
7 1212 1 1 6 LYS NZ N -5.250 -9.424 -0.529 1.00 . A A . 6 LYS NZ 1 1
7 1213 1 1 6 LYS O O 0.865 -6.905 -2.525 1.00 . A A . 6 LYS O 1 1
7 1214 1 1 7 TYR C C 2.549 -3.617 -3.512 1.00 . A A . 7 TYR C 1 1
7 1215 1 1 7 TYR CA C 1.639 -4.727 -4.029 1.00 . A A . 7 TYR CA 1 1
7 1216 1 1 7 TYR CB C 1.297 -4.455 -5.493 1.00 . A A . 7 TYR CB 1 1
7 1217 1 1 7 TYR CD1 C -1.003 -5.259 -6.222 1.00 . A A . 7 TYR CD1 1 1
7 1218 1 1 7 TYR CD2 C 0.886 -6.749 -6.506 1.00 . A A . 7 TYR CD2 1 1
7 1219 1 1 7 TYR CE1 C -1.867 -6.248 -6.765 1.00 . A A . 7 TYR CE1 1 1
7 1220 1 1 7 TYR CE2 C 0.026 -7.739 -7.052 1.00 . A A . 7 TYR CE2 1 1
7 1221 1 1 7 TYR CG C 0.381 -5.502 -6.085 1.00 . A A . 7 TYR CG 1 1
7 1222 1 1 7 TYR CZ C -1.342 -7.477 -7.174 1.00 . A A . 7 TYR CZ 1 1
7 1223 1 1 7 TYR H H -0.246 -4.071 -3.261 1.00 . A A . 7 TYR H 1 1
7 1224 1 1 7 TYR HA H 2.187 -5.667 -3.971 1.00 . A A . 7 TYR HA 1 1
7 1225 1 1 7 TYR HB2 H 0.811 -3.482 -5.569 1.00 . A A . 7 TYR HB2 1 1
7 1226 1 1 7 TYR HB3 H 2.222 -4.425 -6.071 1.00 . A A . 7 TYR HB3 1 1
7 1227 1 1 7 TYR HD1 H -1.413 -4.309 -5.909 1.00 . A A . 7 TYR HD1 1 1
7 1228 1 1 7 TYR HD2 H 1.944 -6.958 -6.409 1.00 . A A . 7 TYR HD2 1 1
7 1229 1 1 7 TYR HE1 H -2.922 -6.051 -6.872 1.00 . A A . 7 TYR HE1 1 1
7 1230 1 1 7 TYR HE2 H 0.428 -8.688 -7.373 1.00 . A A . 7 TYR HE2 1 1
7 1231 1 1 7 TYR HH H -1.709 -9.211 -7.995 1.00 . A A . 7 TYR HH 1 1
7 1232 1 1 7 TYR N N 0.399 -4.847 -3.256 1.00 . A A . 7 TYR N 1 1
7 1233 1 1 7 TYR O O 3.766 -3.755 -3.519 1.00 . A A . 7 TYR O 1 1
7 1234 1 1 7 TYR OH O -2.178 -8.429 -7.698 1.00 . A A . 7 TYR OH 1 1
7 1235 1 1 8 VAL C C 2.359 -1.167 -1.131 1.00 . A A . 8 VAL C 1 1
7 1236 1 1 8 VAL CA C 2.706 -1.374 -2.609 1.00 . A A . 8 VAL CA 1 1
7 1237 1 1 8 VAL CB C 2.317 -0.164 -3.495 1.00 . A A . 8 VAL CB 1 1
7 1238 1 1 8 VAL CG1 C 2.567 1.110 -2.799 1.00 . A A . 8 VAL CG1 1 1
7 1239 1 1 8 VAL CG2 C 3.065 -0.223 -4.835 1.00 . A A . 8 VAL CG2 1 1
7 1240 1 1 8 VAL H H 0.963 -2.410 -3.064 1.00 . A A . 8 VAL H 1 1
7 1241 1 1 8 VAL HA H 3.775 -1.559 -2.698 1.00 . A A . 8 VAL HA 1 1
7 1242 1 1 8 VAL HB H 1.250 -0.220 -3.701 1.00 . A A . 8 VAL HB 1 1
7 1243 1 1 8 VAL HG11 H 3.586 1.134 -2.423 1.00 . A A . 8 VAL HG11 1 1
7 1244 1 1 8 VAL HG12 H 1.864 1.178 -1.975 1.00 . A A . 8 VAL HG12 1 1
7 1245 1 1 8 VAL HG13 H 2.399 1.938 -3.480 1.00 . A A . 8 VAL HG13 1 1
7 1246 1 1 8 VAL HG21 H 4.143 -0.170 -4.662 1.00 . A A . 8 VAL HG21 1 1
7 1247 1 1 8 VAL HG22 H 2.760 0.612 -5.465 1.00 . A A . 8 VAL HG22 1 1
7 1248 1 1 8 VAL HG23 H 2.831 -1.159 -5.347 1.00 . A A . 8 VAL HG23 1 1
7 1249 1 1 8 VAL N N 1.964 -2.511 -3.074 1.00 . A A . 8 VAL N 1 1
7 1250 1 1 8 VAL O O 1.204 -0.872 -0.780 1.00 . A A . 8 VAL O 1 1
7 1251 1 1 9 ORN C C 3.476 0.697 1.115 1.00 . A A . 9 ORN C 1 1
7 1252 1 1 9 ORN CA C 3.353 -0.849 1.108 1.00 . A A . 9 ORN CA 1 1
7 1253 1 1 9 ORN CB C 4.517 -1.508 1.903 1.00 . A A . 9 ORN CB 1 1
7 1254 1 1 9 ORN CD C 5.502 -1.609 4.278 1.00 . A A . 9 ORN CD 1 1
7 1255 1 1 9 ORN CG C 4.215 -1.554 3.430 1.00 . A A . 9 ORN CG 1 1
7 1256 1 1 9 ORN H H 4.264 -1.627 -0.652 1.00 . A A . 9 ORN H 1 1
7 1257 1 1 9 ORN HA H 2.404 -1.133 1.561 1.00 . A A . 9 ORN HA 1 1
7 1258 1 1 9 ORN HB2 H 4.667 -2.528 1.545 1.00 . A A . 9 ORN HB2 1 1
7 1259 1 1 9 ORN HB3 H 5.431 -0.938 1.720 1.00 . A A . 9 ORN HB3 1 1
7 1260 1 1 9 ORN HD2 H 5.238 -1.910 5.295 1.00 . A A . 9 ORN HD2 1 1
7 1261 1 1 9 ORN HD3 H 6.182 -2.356 3.859 1.00 . A A . 9 ORN HD3 1 1
7 1262 1 1 9 ORN HE1 H 5.508 0.439 4.573 1.00 . A A . 9 ORN HE1 1 1
7 1263 1 1 9 ORN HE2 H 6.917 -0.304 5.020 1.00 . A A . 9 ORN HE2 1 1
7 1264 1 1 9 ORN HE3 H 6.574 -0.070 3.424 1.00 . A A . 9 ORN HE3 1 1
7 1265 1 1 9 ORN HG2 H 3.645 -0.675 3.725 1.00 . A A . 9 ORN HG2 1 1
7 1266 1 1 9 ORN HG3 H 3.616 -2.441 3.641 1.00 . A A . 9 ORN HG3 1 1
7 1267 1 1 9 ORN N N 3.372 -1.340 -0.279 1.00 . A A . 9 ORN N 1 1
7 1268 1 1 9 ORN NE N 6.181 -0.288 4.328 1.00 . A A . 9 ORN NE 1 1
7 1269 1 1 9 ORN O O 4.164 1.260 0.258 1.00 . A A . 9 ORN O 1 1
7 1270 1 1 10 LEU C C 3.885 2.981 3.733 1.00 . A A . 10 LEU C 1 1
7 1271 1 1 10 LEU CA C 3.126 2.755 2.422 1.00 . A A . 10 LEU CA 1 1
7 1272 1 1 10 LEU CB C 1.723 3.382 2.424 1.00 . A A . 10 LEU CB 1 1
7 1273 1 1 10 LEU CD1 C 2.349 5.669 1.471 1.00 . A A . 10 LEU CD1 1 1
7 1274 1 1 10 LEU CD2 C 1.443 3.888 -0.055 1.00 . A A . 10 LEU CD2 1 1
7 1275 1 1 10 LEU CG C 1.406 4.464 1.370 1.00 . A A . 10 LEU CG 1 1
7 1276 1 1 10 LEU H H 2.562 0.808 2.915 1.00 . A A . 10 LEU H 1 1
7 1277 1 1 10 LEU HA H 3.692 3.167 1.623 1.00 . A A . 10 LEU HA 1 1
7 1278 1 1 10 LEU HB2 H 1.025 2.574 2.268 1.00 . A A . 10 LEU HB2 1 1
7 1279 1 1 10 LEU HB3 H 1.512 3.794 3.408 1.00 . A A . 10 LEU HB3 1 1
7 1280 1 1 10 LEU HD11 H 2.283 6.106 2.467 1.00 . A A . 10 LEU HD11 1 1
7 1281 1 1 10 LEU HD12 H 2.052 6.423 0.741 1.00 . A A . 10 LEU HD12 1 1
7 1282 1 1 10 LEU HD13 H 3.376 5.365 1.268 1.00 . A A . 10 LEU HD13 1 1
7 1283 1 1 10 LEU HD21 H 0.801 3.011 -0.113 1.00 . A A . 10 LEU HD21 1 1
7 1284 1 1 10 LEU HD22 H 2.463 3.609 -0.327 1.00 . A A . 10 LEU HD22 1 1
7 1285 1 1 10 LEU HD23 H 1.081 4.638 -0.758 1.00 . A A . 10 LEU HD23 1 1
7 1286 1 1 10 LEU HG H 0.392 4.818 1.555 1.00 . A A . 10 LEU HG 1 1
7 1287 1 1 10 LEU N N 3.011 1.324 2.198 1.00 . A A . 10 LEU N 1 1
7 1288 1 1 10 LEU O O 4.557 2.057 4.209 1.00 . A A . 10 LEU O 1 1
8 1289 1 1 1 . C C 3.544 4.653 7.190 1.00 . A A . 1 DPN C 1 1
8 1290 1 1 1 . CA C 4.484 4.857 6.000 1.00 . A A . 1 DPN CA 1 1
8 1291 1 1 1 . CB C 5.880 4.361 6.215 1.00 . A A . 1 DPN CB 1 1
8 1292 1 1 1 . CD1 C 7.228 6.469 6.596 1.00 . A A . 1 DPN CD1 1 1
8 1293 1 1 1 . CD2 C 6.973 4.901 8.431 1.00 . A A . 1 DPN CD2 1 1
8 1294 1 1 1 . CE1 C 7.998 7.325 7.425 1.00 . A A . 1 DPN CE1 1 1
8 1295 1 1 1 . CE2 C 7.746 5.746 9.269 1.00 . A A . 1 DPN CE2 1 1
8 1296 1 1 1 . CG C 6.712 5.256 7.095 1.00 . A A . 1 DPN CG 1 1
8 1297 1 1 1 . CZ C 8.259 6.961 8.762 1.00 . A A . 1 DPN CZ 1 1
8 1298 1 1 1 . H1 H 3.530 5.065 4.125 1.00 . A A . 1 DPN H1 1 1
8 1299 1 1 1 . HA H 4.596 5.948 5.937 1.00 . A A . 1 DPN HA 1 1
8 1300 1 1 1 . HB2 H 5.863 3.352 6.624 1.00 . A A . 1 DPN HB2 1 1
8 1301 1 1 1 . HB3 H 6.292 4.348 5.207 1.00 . A A . 1 DPN HB3 1 1
8 1302 1 1 1 . HD1 H 7.036 6.753 5.572 1.00 . A A . 1 DPN HD1 1 1
8 1303 1 1 1 . HD2 H 6.575 3.977 8.827 1.00 . A A . 1 DPN HD2 1 1
8 1304 1 1 1 . HE1 H 8.382 8.256 7.033 1.00 . A A . 1 DPN HE1 1 1
8 1305 1 1 1 . HE2 H 7.935 5.465 10.293 1.00 . A A . 1 DPN HE2 1 1
8 1306 1 1 1 . HZ H 8.838 7.611 9.400 1.00 . A A . 1 DPN HZ 1 1
8 1307 1 1 1 . N N 3.988 4.400 4.685 1.00 . A A . 1 DPN N 1 1
8 1308 1 1 1 . O O 3.592 5.429 8.134 1.00 . A A . 1 DPN O 1 1
8 1309 1 1 2 BE2 C C 1.158 1.088 6.557 1.00 . A A . 2 BE2 C 1 1
8 1310 1 1 2 BE2 C1 C 0.867 1.971 7.774 1.00 . A A . 2 BE2 C1 1 1
8 1311 1 1 2 BE2 C2 C 1.608 3.173 8.018 1.00 . A A . 2 BE2 C2 1 1
8 1312 1 1 2 BE2 C3 C 1.273 3.959 9.155 1.00 . A A . 2 BE2 C3 1 1
8 1313 1 1 2 BE2 C4 C 0.252 3.572 10.027 1.00 . A A . 2 BE2 C4 1 1
8 1314 1 1 2 BE2 C5 C -0.466 2.404 9.795 1.00 . A A . 2 BE2 C5 1 1
8 1315 1 1 2 BE2 C6 C -0.171 1.609 8.686 1.00 . A A . 2 BE2 C6 1 1
8 1316 1 1 2 BE2 H3 H 1.790 4.877 9.380 1.00 . A A . 2 BE2 H3 1 1
8 1317 1 1 2 BE2 H4 H 0.019 4.189 10.892 1.00 . A A . 2 BE2 H4 1 1
8 1318 1 1 2 BE2 H5 H -1.264 2.116 10.475 1.00 . A A . 2 BE2 H5 1 1
8 1319 1 1 2 BE2 H6 H -0.762 0.713 8.539 1.00 . A A . 2 BE2 H6 1 1
8 1320 1 1 2 BE2 HN21 H 2.756 2.989 6.284 1.00 . A A . 2 BE2 HN21 1 1
8 1321 1 1 2 BE2 N2 N 2.659 3.579 7.104 1.00 . A A . 2 BE2 N2 1 1
8 1322 1 1 2 BE2 O1 O 1.996 1.371 5.715 1.00 . A A . 2 BE2 O1 1 1
8 1323 1 1 3 PHE C C -0.353 -0.499 4.230 1.00 . A A . 3 PHE C 1 1
8 1324 1 1 3 PHE CA C 0.511 -1.015 5.365 1.00 . A A . 3 PHE CA 1 1
8 1325 1 1 3 PHE CB C 0.018 -2.402 5.798 1.00 . A A . 3 PHE CB 1 1
8 1326 1 1 3 PHE CD1 C 0.645 -2.871 8.206 1.00 . A A . 3 PHE CD1 1 1
8 1327 1 1 3 PHE CD2 C 1.964 -3.886 6.439 1.00 . A A . 3 PHE CD2 1 1
8 1328 1 1 3 PHE CE1 C 1.468 -3.491 9.184 1.00 . A A . 3 PHE CE1 1 1
8 1329 1 1 3 PHE CE2 C 2.784 -4.520 7.406 1.00 . A A . 3 PHE CE2 1 1
8 1330 1 1 3 PHE CG C 0.892 -3.061 6.833 1.00 . A A . 3 PHE CG 1 1
8 1331 1 1 3 PHE CZ C 2.537 -4.315 8.780 1.00 . A A . 3 PHE CZ 1 1
8 1332 1 1 3 PHE H H -0.294 -0.215 7.172 1.00 . A A . 3 PHE H 1 1
8 1333 1 1 3 PHE HA H 1.550 -1.075 5.042 1.00 . A A . 3 PHE HA 1 1
8 1334 1 1 3 PHE HB2 H -0.992 -2.306 6.196 1.00 . A A . 3 PHE HB2 1 1
8 1335 1 1 3 PHE HB3 H -0.023 -3.047 4.918 1.00 . A A . 3 PHE HB3 1 1
8 1336 1 1 3 PHE HD1 H -0.178 -2.248 8.524 1.00 . A A . 3 PHE HD1 1 1
8 1337 1 1 3 PHE HD2 H 2.158 -4.048 5.389 1.00 . A A . 3 PHE HD2 1 1
8 1338 1 1 3 PHE HE1 H 1.274 -3.332 10.235 1.00 . A A . 3 PHE HE1 1 1
8 1339 1 1 3 PHE HE2 H 3.599 -5.157 7.093 1.00 . A A . 3 PHE HE2 1 1
8 1340 1 1 3 PHE HZ H 3.165 -4.790 9.520 1.00 . A A . 3 PHE HZ 1 1
8 1341 1 1 3 PHE N N 0.388 -0.053 6.458 1.00 . A A . 3 PHE N 1 1
8 1342 1 1 3 PHE O O -1.435 0.014 4.472 1.00 . A A . 3 PHE O 1 1
8 1343 1 1 4 . C C -1.462 -1.131 1.199 1.00 . A A . 4 DPN C 1 1
8 1344 1 1 4 . CA C -0.433 -0.138 1.761 1.00 . A A . 4 DPN CA 1 1
8 1345 1 1 4 . CB C -0.887 1.346 1.845 1.00 . A A . 4 DPN CB 1 1
8 1346 1 1 4 . CD1 C -3.320 1.663 2.477 1.00 . A A . 4 DPN CD1 1 1
8 1347 1 1 4 . CD2 C -2.701 1.778 0.134 1.00 . A A . 4 DPN CD2 1 1
8 1348 1 1 4 . CE1 C -4.673 1.906 2.141 1.00 . A A . 4 DPN CE1 1 1
8 1349 1 1 4 . CE2 C -4.055 2.032 -0.213 1.00 . A A . 4 DPN CE2 1 1
8 1350 1 1 4 . CG C -2.329 1.592 1.478 1.00 . A A . 4 DPN CG 1 1
8 1351 1 1 4 . CZ C -5.039 2.091 0.794 1.00 . A A . 4 DPN CZ 1 1
8 1352 1 1 4 . HA H 0.377 -0.135 1.038 1.00 . A A . 4 DPN HA 1 1
8 1353 1 1 4 . HB2 H -0.711 1.724 2.850 1.00 . A A . 4 DPN HB2 1 1
8 1354 1 1 4 . HB3 H -0.266 1.923 1.162 1.00 . A A . 4 DPN HB3 1 1
8 1355 1 1 4 . HD1 H -3.048 1.533 3.513 1.00 . A A . 4 DPN HD1 1 1
8 1356 1 1 4 . HD2 H -1.953 1.734 -0.641 1.00 . A A . 4 DPN HD2 1 1
8 1357 1 1 4 . HE1 H -5.423 1.948 2.919 1.00 . A A . 4 DPN HE1 1 1
8 1358 1 1 4 . HE2 H -4.330 2.183 -1.246 1.00 . A A . 4 DPN HE2 1 1
8 1359 1 1 4 . HZ H -6.071 2.275 0.536 1.00 . A A . 4 DPN HZ 1 1
8 1360 1 1 4 . N N 0.168 -0.641 3.012 1.00 . A A . 4 DPN N 1 1
8 1361 1 1 4 . O O -2.562 -1.314 1.698 1.00 . A A . 4 DPN O 1 1
8 1362 1 1 5 ASN C C -0.929 -4.048 -0.625 1.00 . A A . 5 ASN C 1 1
8 1363 1 1 5 ASN CA C -1.830 -2.823 -0.539 1.00 . A A . 5 ASN CA 1 1
8 1364 1 1 5 ASN CB C -2.262 -2.358 -1.943 1.00 . A A . 5 ASN CB 1 1
8 1365 1 1 5 ASN CG C -3.578 -1.618 -1.925 1.00 . A A . 5 ASN CG 1 1
8 1366 1 1 5 ASN H H -0.089 -1.626 -0.195 1.00 . A A . 5 ASN H 1 1
8 1367 1 1 5 ASN HA H -2.714 -3.064 0.041 1.00 . A A . 5 ASN HA 1 1
8 1368 1 1 5 ASN HB2 H -1.498 -1.729 -2.366 1.00 . A A . 5 ASN HB2 1 1
8 1369 1 1 5 ASN HB3 H -2.385 -3.222 -2.590 1.00 . A A . 5 ASN HB3 1 1
8 1370 1 1 5 ASN HD21 H -4.461 0.108 -2.389 1.00 . A A . 5 ASN HD21 1 1
8 1371 1 1 5 ASN HD22 H -2.756 0.029 -2.743 1.00 . A A . 5 ASN HD22 1 1
8 1372 1 1 5 ASN N N -1.034 -1.803 0.144 1.00 . A A . 5 ASN N 1 1
8 1373 1 1 5 ASN ND2 N -3.591 -0.399 -2.394 1.00 . A A . 5 ASN ND2 1 1
8 1374 1 1 5 ASN O O 0.198 -4.019 -0.150 1.00 . A A . 5 ASN O 1 1
8 1375 1 1 5 ASN OD1 O -4.574 -2.162 -1.498 1.00 . A A . 5 ASN OD1 1 1
8 1376 1 1 6 LYS C C 0.605 -6.131 -2.347 1.00 . A A . 6 LYS C 1 1
8 1377 1 1 6 LYS CA C -0.609 -6.336 -1.429 1.00 . A A . 6 LYS CA 1 1
8 1378 1 1 6 LYS CB C -1.481 -7.456 -2.011 1.00 . A A . 6 LYS CB 1 1
8 1379 1 1 6 LYS CD C -3.379 -9.077 -1.677 1.00 . A A . 6 LYS CD 1 1
8 1380 1 1 6 LYS CE C -4.541 -9.486 -0.772 1.00 . A A . 6 LYS CE 1 1
8 1381 1 1 6 LYS CG C -2.632 -7.876 -1.099 1.00 . A A . 6 LYS CG 1 1
8 1382 1 1 6 LYS H H -2.347 -5.095 -1.625 1.00 . A A . 6 LYS H 1 1
8 1383 1 1 6 LYS HA H -0.235 -6.657 -0.455 1.00 . A A . 6 LYS HA 1 1
8 1384 1 1 6 LYS HB2 H -1.893 -7.120 -2.962 1.00 . A A . 6 LYS HB2 1 1
8 1385 1 1 6 LYS HB3 H -0.850 -8.326 -2.196 1.00 . A A . 6 LYS HB3 1 1
8 1386 1 1 6 LYS HD2 H -3.762 -8.816 -2.665 1.00 . A A . 6 LYS HD2 1 1
8 1387 1 1 6 LYS HD3 H -2.686 -9.914 -1.774 1.00 . A A . 6 LYS HD3 1 1
8 1388 1 1 6 LYS HE2 H -4.154 -9.700 0.226 1.00 . A A . 6 LYS HE2 1 1
8 1389 1 1 6 LYS HE3 H -5.250 -8.657 -0.701 1.00 . A A . 6 LYS HE3 1 1
8 1390 1 1 6 LYS HG2 H -2.237 -8.137 -0.116 1.00 . A A . 6 LYS HG2 1 1
8 1391 1 1 6 LYS HG3 H -3.327 -7.044 -0.994 1.00 . A A . 6 LYS HG3 1 1
8 1392 1 1 6 LYS HZ1 H -6.014 -10.951 -0.676 1.00 . A A . 6 LYS HZ1 1 1
8 1393 1 1 6 LYS HZ2 H -4.605 -11.482 -1.350 1.00 . A A . 6 LYS HZ2 1 1
8 1394 1 1 6 LYS HZ3 H -5.623 -10.517 -2.219 1.00 . A A . 6 LYS HZ3 1 1
8 1395 1 1 6 LYS N N -1.409 -5.116 -1.251 1.00 . A A . 6 LYS N 1 1
8 1396 1 1 6 LYS NZ N -5.253 -10.707 -1.297 1.00 . A A . 6 LYS NZ 1 1
8 1397 1 1 6 LYS O O 1.395 -7.044 -2.537 1.00 . A A . 6 LYS O 1 1
8 1398 1 1 7 TYR C C 2.614 -3.383 -3.454 1.00 . A A . 7 TYR C 1 1
8 1399 1 1 7 TYR CA C 1.822 -4.634 -3.853 1.00 . A A . 7 TYR CA 1 1
8 1400 1 1 7 TYR CB C 1.229 -4.467 -5.258 1.00 . A A . 7 TYR CB 1 1
8 1401 1 1 7 TYR CD1 C 0.456 -6.824 -5.830 1.00 . A A . 7 TYR CD1 1 1
8 1402 1 1 7 TYR CD2 C -1.224 -5.102 -5.530 1.00 . A A . 7 TYR CD2 1 1
8 1403 1 1 7 TYR CE1 C -0.568 -7.779 -6.080 1.00 . A A . 7 TYR CE1 1 1
8 1404 1 1 7 TYR CE2 C -2.247 -6.057 -5.777 1.00 . A A . 7 TYR CE2 1 1
8 1405 1 1 7 TYR CG C 0.139 -5.479 -5.549 1.00 . A A . 7 TYR CG 1 1
8 1406 1 1 7 TYR CZ C -1.907 -7.384 -6.043 1.00 . A A . 7 TYR CZ 1 1
8 1407 1 1 7 TYR H H 0.076 -4.223 -2.702 1.00 . A A . 7 TYR H 1 1
8 1408 1 1 7 TYR HA H 2.510 -5.480 -3.871 1.00 . A A . 7 TYR HA 1 1
8 1409 1 1 7 TYR HB2 H 0.804 -3.469 -5.349 1.00 . A A . 7 TYR HB2 1 1
8 1410 1 1 7 TYR HB3 H 2.025 -4.572 -5.995 1.00 . A A . 7 TYR HB3 1 1
8 1411 1 1 7 TYR HD1 H 1.491 -7.137 -5.851 1.00 . A A . 7 TYR HD1 1 1
8 1412 1 1 7 TYR HD2 H -1.493 -4.076 -5.326 1.00 . A A . 7 TYR HD2 1 1
8 1413 1 1 7 TYR HE1 H -0.308 -8.805 -6.295 1.00 . A A . 7 TYR HE1 1 1
8 1414 1 1 7 TYR HE2 H -3.286 -5.758 -5.759 1.00 . A A . 7 TYR HE2 1 1
8 1415 1 1 7 TYR HH H -2.556 -9.156 -6.550 1.00 . A A . 7 TYR HH 1 1
8 1416 1 1 7 TYR N N 0.739 -4.938 -2.914 1.00 . A A . 7 TYR N 1 1
8 1417 1 1 7 TYR O O 3.840 -3.417 -3.372 1.00 . A A . 7 TYR O 1 1
8 1418 1 1 7 TYR OH O -2.898 -8.304 -6.272 1.00 . A A . 7 TYR OH 1 1
8 1419 1 1 8 VAL C C 2.598 -0.933 -1.278 1.00 . A A . 8 VAL C 1 1
8 1420 1 1 8 VAL CA C 2.579 -1.029 -2.805 1.00 . A A . 8 VAL CA 1 1
8 1421 1 1 8 VAL CB C 1.923 0.192 -3.488 1.00 . A A . 8 VAL CB 1 1
8 1422 1 1 8 VAL CG1 C 0.722 0.589 -2.754 1.00 . A A . 8 VAL CG1 1 1
8 1423 1 1 8 VAL CG2 C 2.913 1.368 -3.592 1.00 . A A . 8 VAL CG2 1 1
8 1424 1 1 8 VAL H H 0.921 -2.288 -3.263 1.00 . A A . 8 VAL H 1 1
8 1425 1 1 8 VAL HA H 3.569 -1.042 -3.140 1.00 . A A . 8 VAL HA 1 1
8 1426 1 1 8 VAL HB H 1.633 -0.099 -4.497 1.00 . A A . 8 VAL HB 1 1
8 1427 1 1 8 VAL HG11 H 0.101 -0.279 -2.614 1.00 . A A . 8 VAL HG11 1 1
8 1428 1 1 8 VAL HG12 H 0.188 1.348 -3.315 1.00 . A A . 8 VAL HG12 1 1
8 1429 1 1 8 VAL HG13 H 1.021 0.981 -1.788 1.00 . A A . 8 VAL HG13 1 1
8 1430 1 1 8 VAL HG21 H 2.452 2.183 -4.154 1.00 . A A . 8 VAL HG21 1 1
8 1431 1 1 8 VAL HG22 H 3.814 1.048 -4.119 1.00 . A A . 8 VAL HG22 1 1
8 1432 1 1 8 VAL HG23 H 3.183 1.730 -2.599 1.00 . A A . 8 VAL HG23 1 1
8 1433 1 1 8 VAL N N 1.920 -2.282 -3.195 1.00 . A A . 8 VAL N 1 1
8 1434 1 1 8 VAL O O 1.706 -1.465 -0.611 1.00 . A A . 8 VAL O 1 1
8 1435 1 1 9 ORN C C 4.138 1.283 1.099 1.00 . A A . 9 ORN C 1 1
8 1436 1 1 9 ORN CA C 3.882 -0.189 0.713 1.00 . A A . 9 ORN CA 1 1
8 1437 1 1 9 ORN CB C 5.104 -1.090 1.074 1.00 . A A . 9 ORN CB 1 1
8 1438 1 1 9 ORN CD C 5.036 -3.309 -0.273 1.00 . A A . 9 ORN CD 1 1
8 1439 1 1 9 ORN CG C 4.756 -2.613 1.083 1.00 . A A . 9 ORN CG 1 1
8 1440 1 1 9 ORN H H 4.254 0.228 -1.346 1.00 . A A . 9 ORN H 1 1
8 1441 1 1 9 ORN HA H 3.006 -0.541 1.260 1.00 . A A . 9 ORN HA 1 1
8 1442 1 1 9 ORN HB2 H 5.917 -0.894 0.370 1.00 . A A . 9 ORN HB2 1 1
8 1443 1 1 9 ORN HB3 H 5.456 -0.817 2.070 1.00 . A A . 9 ORN HB3 1 1
8 1444 1 1 9 ORN HD2 H 4.537 -4.281 -0.279 1.00 . A A . 9 ORN HD2 1 1
8 1445 1 1 9 ORN HD3 H 4.620 -2.705 -1.081 1.00 . A A . 9 ORN HD3 1 1
8 1446 1 1 9 ORN HE1 H 6.963 -2.618 -0.482 1.00 . A A . 9 ORN HE1 1 1
8 1447 1 1 9 ORN HE2 H 6.868 -4.111 0.211 1.00 . A A . 9 ORN HE2 1 1
8 1448 1 1 9 ORN HE3 H 6.626 -3.938 -1.413 1.00 . A A . 9 ORN HE3 1 1
8 1449 1 1 9 ORN HG2 H 5.350 -3.105 1.857 1.00 . A A . 9 ORN HG2 1 1
8 1450 1 1 9 ORN HG3 H 3.701 -2.740 1.334 1.00 . A A . 9 ORN HG3 1 1
8 1451 1 1 9 ORN N N 3.618 -0.269 -0.738 1.00 . A A . 9 ORN N 1 1
8 1452 1 1 9 ORN NE N 6.487 -3.508 -0.506 1.00 . A A . 9 ORN NE 1 1
8 1453 1 1 9 ORN O O 4.665 2.048 0.279 1.00 . A A . 9 ORN O 1 1
8 1454 1 1 10 LEU C C 4.153 3.196 4.139 1.00 . A A . 10 LEU C 1 1
8 1455 1 1 10 LEU CA C 3.622 3.074 2.716 1.00 . A A . 10 LEU CA 1 1
8 1456 1 1 10 LEU CB C 2.181 3.587 2.623 1.00 . A A . 10 LEU CB 1 1
8 1457 1 1 10 LEU CD1 C 2.620 6.021 1.999 1.00 . A A . 10 LEU CD1 1 1
8 1458 1 1 10 LEU CD2 C 2.121 4.351 0.197 1.00 . A A . 10 LEU CD2 1 1
8 1459 1 1 10 LEU CG C 1.850 4.741 1.653 1.00 . A A . 10 LEU CG 1 1
8 1460 1 1 10 LEU H H 3.392 1.009 2.967 1.00 . A A . 10 LEU H 1 1
8 1461 1 1 10 LEU HA H 4.239 3.650 2.065 1.00 . A A . 10 LEU HA 1 1
8 1462 1 1 10 LEU HB2 H 1.586 2.750 2.335 1.00 . A A . 10 LEU HB2 1 1
8 1463 1 1 10 LEU HB3 H 1.843 3.877 3.616 1.00 . A A . 10 LEU HB3 1 1
8 1464 1 1 10 LEU HD11 H 2.317 6.820 1.318 1.00 . A A . 10 LEU HD11 1 1
8 1465 1 1 10 LEU HD12 H 3.693 5.858 1.897 1.00 . A A . 10 LEU HD12 1 1
8 1466 1 1 10 LEU HD13 H 2.386 6.328 3.019 1.00 . A A . 10 LEU HD13 1 1
8 1467 1 1 10 LEU HD21 H 1.602 3.422 -0.037 1.00 . A A . 10 LEU HD21 1 1
8 1468 1 1 10 LEU HD22 H 3.191 4.221 0.034 1.00 . A A . 10 LEU HD22 1 1
8 1469 1 1 10 LEU HD23 H 1.753 5.139 -0.463 1.00 . A A . 10 LEU HD23 1 1
8 1470 1 1 10 LEU HG H 0.786 4.955 1.747 1.00 . A A . 10 LEU HG 1 1
8 1471 1 1 10 LEU N N 3.693 1.678 2.295 1.00 . A A . 10 LEU N 1 1
8 1472 1 1 10 LEU O O 4.668 2.224 4.686 1.00 . A A . 10 LEU O 1 1
stop_
save_
Contact the webmaster for help, if required. Tuesday, April 30, 2024 9:18:02 PM GMT (wattos1)