NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
634559 |
6fgm   |
27357 | cing | 4-filtered-FRED | STAR | entry | full | 75 |
data_FRED_restraints_with_modified_coordinates_PDB_code_6fgm
# This FRED archive file contains, for PDB entry <6fgm>:
#
# - 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_6fgm
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 6fgm
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "all disulfide bound"
_Assembly.Molecular_mass 1327.59
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 $ALA_CYS_PHE_LEU_THR_ARG_LEU_GLY_THR_TYR_VAL_CYS A . 1 1
stop_
save_
save_ALA_CYS_PHE_LEU_THR_ARG_LEU_GLY_THR_TYR_VAL_CYS
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "ALA CYS PHE LEU THR ARG LEU GLY THR TYR VAL CYS"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code ACFLTRLGTYVC
_Entity.Number_of_monomers 12
loop_
_Entity_comp_index.ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 ALA . 1 1
2 CYS . 1 1
3 PHE . 1 1
4 LEU . 1 1
5 THR . 1 1
6 ARG . 1 1
7 LEU . 1 1
8 GLY . 1 1
9 THR . 1 1
10 TYR . 1 1
11 VAL . 1 1
12 CYS . 1 1
stop_
loop_
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
ALA 1 1 1 1
CYS 2 2 1 1
PHE 3 3 1 1
LEU 4 4 1 1
THR 5 5 1 1
ARG 6 6 1 1
LEU 7 7 1 1
GLY 8 8 1 1
THR 9 9 1 1
TYR 10 10 1 1
VAL 11 11 1 1
CYS 12 12 1 1
stop_
save_
save_DYANA/DIANA_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
35 1 . . . 1 1
36 1 . . . 1 1
37 1 . . . 1 1
38 1 . . . 1 1
39 1 . . . 1 1
40 1 . . . 1 1
41 1 . . . 1 1
42 1 . . . 1 1
43 1 . . . 1 1
44 1 . . . 1 1
45 1 . . . 1 1
46 1 . . . 1 1
47 1 . . . 1 1
48 1 . . . 1 1
49 1 . . . 1 1
50 1 . . . 1 1
51 1 . . . 1 1
52 1 . . . 1 1
53 1 . . . 1 1
54 1 . . . 1 1
55 1 . . . 1 1
56 1 . . . 1 1
57 1 . . . 1 1
58 1 . . . 1 1
59 1 . . . 1 1
60 1 . . . 1 1
61 1 . . . 1 1
62 1 . . . 1 1
63 1 . . . 1 1
64 1 . . . 1 1
65 1 . . . 1 1
66 1 . . . 1 1
67 1 . . . 1 1
68 1 . . . 1 1
69 1 . . . 1 1
70 1 . . . 1 1
71 1 . . . 1 1
72 1 . . . 1 1
73 1 . . . 1 1
74 1 . . . 1 1
75 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 1 ALA HA . 1 ALA HA 1 1
1 1 2 1 1 2 CYS H . 2 CYSS H 1 1
2 1 1 1 1 2 CYS HA . 2 CYSS HA 1 1
2 1 2 1 1 3 PHE H . 3 PHE H 1 1
3 1 1 1 1 2 CYS HA . 2 CYSS HA 1 1
3 1 2 1 1 3 PHE QD . 3 PHE QD 1 1
4 1 1 1 1 2 CYS HA . 2 CYSS HA 1 1
4 1 2 1 1 12 CYS HA . 12 CYSS HA 1 1
5 1 1 1 1 2 CYS QB . 2 CYSS HB3 1 1
5 1 2 1 1 3 PHE H . 3 PHE H 1 1
6 1 1 1 1 2 CYS QB . 2 CYSS HB3 1 1
6 1 2 1 1 10 TYR QB . 10 TYR QB 1 1
7 1 1 1 1 2 CYS QB . 2 CYSS HB3 1 1
7 1 2 1 1 10 TYR QD . 10 TYR QD 1 1
8 1 1 1 1 2 CYS QB . 2 CYSS HB3 1 1
8 1 2 1 1 10 TYR QE . 10 TYR QE 1 1
9 1 1 1 1 2 CYS QB . 2 CYSS HB3 1 1
9 1 2 1 1 12 CYS QB . 12 CYSS HB2 1 1
10 1 1 1 1 3 PHE H . 3 PHE H 1 1
10 1 2 1 1 3 PHE HB2 . 3 PHE HB2 1 1
11 1 1 1 1 3 PHE H . 3 PHE H 1 1
11 1 2 1 1 3 PHE HB3 . 3 PHE HB3 1 1
12 1 1 1 1 3 PHE H . 3 PHE H 1 1
12 1 2 1 1 3 PHE QD . 3 PHE QD 1 1
13 1 1 1 1 3 PHE HA . 3 PHE HA 1 1
13 1 2 1 1 3 PHE QD . 3 PHE QD 1 1
14 1 1 1 1 3 PHE HA . 3 PHE HA 1 1
14 1 2 1 1 4 LEU H . 4 LEU H 1 1
15 1 1 1 1 3 PHE HA . 3 PHE HA 1 1
15 1 2 1 1 10 TYR QD . 10 TYR QD 1 1
16 1 1 1 1 3 PHE HB2 . 3 PHE HB2 1 1
16 1 2 1 1 3 PHE QD . 3 PHE QD 1 1
17 1 1 1 1 3 PHE HB2 . 3 PHE HB2 1 1
17 1 2 1 1 4 LEU H . 4 LEU H 1 1
18 1 1 1 1 3 PHE HB3 . 3 PHE HB3 1 1
18 1 2 1 1 3 PHE QD . 3 PHE QD 1 1
19 1 1 1 1 3 PHE QD . 3 PHE QD 1 1
19 1 2 1 1 5 THR MG . 5 THR QG2 1 1
20 1 1 1 1 3 PHE QE . 3 PHE QE 1 1
20 1 2 1 1 11 VAL MG1 . 11 VAL QG1 1 1
21 1 1 1 1 3 PHE QE . 3 PHE QE 1 1
21 1 2 1 1 11 VAL MG2 . 11 VAL QG2 1 1
22 1 1 1 1 3 PHE HZ . 3 PHE HZ 1 1
22 1 2 1 1 12 CYS HA . 12 CYSS HA 1 1
23 1 1 1 1 3 PHE HZ . 3 PHE HZ 1 1
23 1 2 1 1 12 CYS QB . 12 CYSS HB3 1 1
24 1 1 1 1 4 LEU H . 4 LEU H 1 1
24 1 2 1 1 4 LEU HB2 . 4 LEU HB2 1 1
25 1 1 1 1 4 LEU H . 4 LEU H 1 1
25 1 2 1 1 4 LEU HB3 . 4 LEU HB3 1 1
26 1 1 1 1 4 LEU H . 4 LEU H 1 1
26 1 2 1 1 4 LEU HG . 4 LEU HG 1 1
27 1 1 1 1 4 LEU HA . 4 LEU HA 1 1
27 1 2 1 1 5 THR H . 5 THR H 1 1
28 1 1 1 1 4 LEU HA . 4 LEU HA 1 1
28 1 2 1 1 10 TYR QD . 10 TYR QD 1 1
29 1 1 1 1 4 LEU HB2 . 4 LEU HB2 1 1
29 1 2 1 1 10 TYR QD . 10 TYR QD 1 1
30 1 1 1 1 4 LEU HB2 . 4 LEU HB2 1 1
30 1 2 1 1 10 TYR QE . 10 TYR QE 1 1
31 1 1 1 1 4 LEU QD . 4 LEU QD1 1 1
31 1 2 1 1 5 THR H . 5 THR H 1 1
32 1 1 1 1 4 LEU QD . 4 LEU QD1 1 1
32 1 2 1 1 8 GLY HA2 . 8 GLY HA2 1 1
33 1 1 1 1 4 LEU QD . 4 LEU QD2 1 1
33 1 2 1 1 10 TYR QD . 10 TYR QD 1 1
34 1 1 1 1 4 LEU QD . 4 LEU QD2 1 1
34 1 2 1 1 10 TYR QE . 10 TYR QE 1 1
35 1 1 1 1 4 LEU HG . 4 LEU HG 1 1
35 1 2 1 1 6 ARG HE . 6 ARG HE 1 1
36 1 1 1 1 4 LEU HG . 4 LEU HG 1 1
36 1 2 1 1 10 TYR QD . 10 TYR QD 1 1
37 1 1 1 1 4 LEU HG . 4 LEU HG 1 1
37 1 2 1 1 10 TYR QE . 10 TYR QE 1 1
38 1 1 1 1 5 THR H . 5 THR H 1 1
38 1 2 1 1 5 THR MG . 5 THR QG2 1 1
39 1 1 1 1 5 THR H . 5 THR H 1 1
39 1 2 1 1 9 THR H . 9 THR H 1 1
40 1 1 1 1 5 THR HA . 5 THR HA 1 1
40 1 2 1 1 6 ARG H . 6 ARG H 1 1
41 1 1 1 1 5 THR HA . 5 THR HA 1 1
41 1 2 1 1 7 LEU H . 7 LEU H 1 1
42 1 1 1 1 5 THR MG . 5 THR QG2 1 1
42 1 2 1 1 6 ARG HE . 6 ARG HE 1 1
43 1 1 1 1 5 THR MG . 5 THR QG2 1 1
43 1 2 1 1 11 VAL H . 11 VAL H 1 1
44 1 1 1 1 6 ARG H . 6 ARG H 1 1
44 1 2 1 1 6 ARG QB . 6 ARG QB 1 1
45 1 1 1 1 6 ARG H . 6 ARG H 1 1
45 1 2 1 1 6 ARG QG . 6 ARG QG 1 1
46 1 1 1 1 6 ARG H . 6 ARG H 1 1
46 1 2 1 1 7 LEU H . 7 LEU H 1 1
47 1 1 1 1 6 ARG HA . 6 ARG HA 1 1
47 1 2 1 1 7 LEU H . 7 LEU H 1 1
48 1 1 1 1 6 ARG QB . 6 ARG QB 1 1
48 1 2 1 1 6 ARG HE . 6 ARG HE 1 1
49 1 1 1 1 6 ARG QB . 6 ARG QB 1 1
49 1 2 1 1 7 LEU H . 7 LEU H 1 1
50 1 1 1 1 6 ARG HE . 6 ARG HE 1 1
50 1 2 1 1 6 ARG QG . 6 ARG QG 1 1
51 1 1 1 1 7 LEU H . 7 LEU H 1 1
51 1 2 1 1 7 LEU QB . 7 LEU QB 1 1
52 1 1 1 1 7 LEU H . 7 LEU H 1 1
52 1 2 1 1 7 LEU MD1 . 7 LEU QD1 1 1
53 1 1 1 1 7 LEU H . 7 LEU H 1 1
53 1 2 1 1 8 GLY H . 8 GLY H 1 1
54 1 1 1 1 7 LEU HA . 7 LEU HA 1 1
54 1 2 1 1 8 GLY H . 8 GLY H 1 1
55 1 1 1 1 7 LEU QB . 7 LEU QB 1 1
55 1 2 1 1 8 GLY H . 8 GLY H 1 1
56 1 1 1 1 7 LEU QB . 7 LEU QB 1 1
56 1 2 1 1 9 THR H . 9 THR H 1 1
57 1 1 1 1 8 GLY H . 8 GLY H 1 1
57 1 2 1 1 8 GLY HA2 . 8 GLY HA2 1 1
58 1 1 1 1 8 GLY H . 8 GLY H 1 1
58 1 2 1 1 9 THR H . 9 THR H 1 1
59 1 1 1 1 8 GLY HA2 . 8 GLY HA2 1 1
59 1 2 1 1 9 THR H . 9 THR H 1 1
60 1 1 1 1 9 THR H . 9 THR H 1 1
60 1 2 1 1 9 THR HB . 9 THR HB 1 1
61 1 1 1 1 9 THR H . 9 THR H 1 1
61 1 2 1 1 9 THR MG . 9 THR QG2 1 1
62 1 1 1 1 9 THR HA . 9 THR HA 1 1
62 1 2 1 1 10 TYR H . 10 TYR H 1 1
63 1 1 1 1 9 THR HB . 9 THR HB 1 1
63 1 2 1 1 10 TYR H . 10 TYR H 1 1
64 1 1 1 1 10 TYR H . 10 TYR H 1 1
64 1 2 1 1 10 TYR QB . 10 TYR QB 1 1
65 1 1 1 1 10 TYR H . 10 TYR H 1 1
65 1 2 1 1 10 TYR QD . 10 TYR QD 1 1
66 1 1 1 1 10 TYR HA . 10 TYR HA 1 1
66 1 2 1 1 10 TYR QD . 10 TYR QD 1 1
67 1 1 1 1 10 TYR HA . 10 TYR HA 1 1
67 1 2 1 1 11 VAL H . 11 VAL H 1 1
68 1 1 1 1 10 TYR QB . 10 TYR QB 1 1
68 1 2 1 1 10 TYR QD . 10 TYR QD 1 1
69 1 1 1 1 10 TYR QB . 10 TYR QB 1 1
69 1 2 1 1 10 TYR QE . 10 TYR QE 1 1
70 1 1 1 1 11 VAL H . 11 VAL H 1 1
70 1 2 1 1 11 VAL HB . 11 VAL HB 1 1
71 1 1 1 1 11 VAL H . 11 VAL H 1 1
71 1 2 1 1 11 VAL MG1 . 11 VAL QG1 1 1
72 1 1 1 1 11 VAL H . 11 VAL H 1 1
72 1 2 1 1 11 VAL MG2 . 11 VAL QG2 1 1
73 1 1 1 1 11 VAL HA . 11 VAL HA 1 1
73 1 2 1 1 12 CYS H . 12 CYSS H 1 1
74 1 1 1 1 11 VAL MG2 . 11 VAL QG2 1 1
74 1 2 1 1 12 CYS H . 12 CYSS H 1 1
75 1 1 1 1 12 CYS H . 12 CYSS H 1 1
75 1 2 1 1 12 CYS QB . 12 CYSS HB2 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 . . . . . . . 3.66 1 1
2 1 . . . . . . . 2.79 1 1
3 1 . . . . . . . 4.02 1 1
4 1 . . . . . . . 3.11 1 1
5 1 . . . . . . . 3.49 1 1
6 1 . . . . . . . 2.65 1 1
7 1 . . . . . . . 3.49 1 1
8 1 . . . . . . . 4.08 1 1
9 1 . . . . . . . 3.93 1 1
10 1 . . . . . . . 3.93 1 1
11 1 . . . . . . . 3.64 1 1
12 1 . . . . . . . 3.76 1 1
13 1 . . . . . . . 3.34 1 1
14 1 . . . . . . . 2.64 1 1
15 1 . . . . . . . 3.82 1 1
16 1 . . . . . . . 2.8 1 1
17 1 . . . . . . . 3.41 1 1
18 1 . . . . . . . 2.77 1 1
19 1 . . . . . . . 3.67 1 1
20 1 . . . . . . . 3.47 1 1
21 1 . . . . . . . 3.72 1 1
22 1 . . . . . . . 3.19 1 1
23 1 . . . . . . . 4.11 1 1
24 1 . . . . . . . 3.14 1 1
25 1 . . . . . . . 3.14 1 1
26 1 . . . . . . . 4.01 1 1
27 1 . . . . . . . 2.62 1 1
28 1 . . . . . . . 3.39 1 1
29 1 . . . . . . . 3.95 1 1
30 1 . . . . . . . 3.51 1 1
31 1 . . . . . . . 4.09 1 1
32 1 . . . . . . . 5.5 1 1
33 1 . . . . . . . 3.82 1 1
34 1 . . . . . . . 3.7 1 1
35 1 . . . . . . . 3.57 1 1
36 1 . . . . . . . 4.29 1 1
37 1 . . . . . . . 4.49 1 1
38 1 . . . . . . . 3.21 1 1
39 1 . . . . . . . 3.89 1 1
40 1 . . . . . . . 2.91 1 1
41 1 . . . . . . . 3.6 1 1
42 1 . . . . . . . 3.48 1 1
43 1 . . . . . . . 3.99 1 1
44 1 . . . . . . . 3.15 1 1
45 1 . . . . . . . 3.45 1 1
46 1 . . . . . . . 4.47 1 1
47 1 . . . . . . . 3.75 1 1
48 1 . . . . . . . 4.28 1 1
49 1 . . . . . . . 3.79 1 1
50 1 . . . . . . . 3.42 1 1
51 1 . . . . . . . 2.87 1 1
52 1 . . . . . . . 3.99 1 1
53 1 . . . . . . . 3.52 1 1
54 1 . . . . . . . 3.42 1 1
55 1 . . . . . . . 3.79 1 1
56 1 . . . . . . . 4.04 1 1
57 1 . . . . . . . 2.79 1 1
58 1 . . . . . . . 3.36 1 1
59 1 . . . . . . . 4.02 1 1
60 1 . . . . . . . 3.52 1 1
61 1 . . . . . . . 3.74 1 1
62 1 . . . . . . . 2.76 1 1
63 1 . . . . . . . 3.15 1 1
64 1 . . . . . . . 2.9 1 1
65 1 . . . . . . . 3.57 1 1
66 1 . . . . . . . 3.01 1 1
67 1 . . . . . . . 2.67 1 1
68 1 . . . . . . . 2.55 1 1
69 1 . . . . . . . 4.17 1 1
70 1 . . . . . . . 3.41 1 1
71 1 . . . . . . . 3.57 1 1
72 1 . . . . . . . 4.18 1 1
73 1 . . . . . . . 2.69 1 1
74 1 . . . . . . . 3.89 1 1
75 1 . . . . . . . 3.2 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 ALA C C 2.733 1.360 -1.493 1.00 . A A . 1 ALA C 1 1
1 2 1 1 1 ALA CA C 2.093 -0.001 -1.241 1.00 . A A . 1 ALA CA 1 1
1 3 1 1 1 ALA CB C 1.200 -0.391 -2.410 1.00 . A A . 1 ALA CB 1 1
1 4 1 1 1 ALA H1 H 1.807 -0.001 0.855 1.00 . A A . 1 ALA H1 1 1
1 5 1 1 1 ALA HA H 2.873 -0.744 -1.153 1.00 . A A . 1 ALA HA 1 1
1 6 1 1 1 ALA HB1 H 1.811 -0.588 -3.279 1.00 . A A . 1 ALA HB1 1 1
1 7 1 1 1 ALA HB2 H 0.639 -1.277 -2.155 1.00 . A A . 1 ALA HB2 1 1
1 8 1 1 1 ALA HB3 H 0.518 0.418 -2.627 1.00 . A A . 1 ALA HB3 1 1
1 9 1 1 1 ALA N N 1.329 0.000 0.000 1.00 . A A . 1 ALA N 1 1
1 10 1 1 1 ALA O O 2.161 2.211 -2.175 1.00 . A A . 1 ALA O 1 1
1 11 1 1 2 CYS C C 5.771 2.672 -2.118 1.00 . A A . 2 CYS C 1 1
1 12 1 1 2 CYS CA C 4.643 2.817 -1.101 1.00 . A A . 2 CYS CA 1 1
1 13 1 1 2 CYS CB C 5.209 3.283 0.242 1.00 . A A . 2 CYS CB 1 1
1 14 1 1 2 CYS H H 4.330 0.843 -0.406 1.00 . A A . 2 CYS H 1 1
1 15 1 1 2 CYS HA H 3.943 3.555 -1.462 1.00 . A A . 2 CYS HA 1 1
1 16 1 1 2 CYS HB2 H 5.882 2.528 0.621 1.00 . A A . 2 CYS HB2 1 1
1 17 1 1 2 CYS HB3 H 5.755 4.203 0.094 1.00 . A A . 2 CYS HB3 1 1
1 18 1 1 2 CYS N N 3.924 1.560 -0.938 1.00 . A A . 2 CYS N 1 1
1 19 1 1 2 CYS O O 6.060 1.571 -2.588 1.00 . A A . 2 CYS O 1 1
1 20 1 1 2 CYS SG S 3.944 3.587 1.516 1.00 . A A . 2 CYS SG 1 1
1 21 1 1 3 PHE C C 8.495 4.906 -3.111 1.00 . A A . 3 PHE C 1 1
1 22 1 1 3 PHE CA C 7.502 3.788 -3.416 1.00 . A A . 3 PHE CA 1 1
1 23 1 1 3 PHE CB C 6.961 3.944 -4.838 1.00 . A A . 3 PHE CB 1 1
1 24 1 1 3 PHE CD1 C 5.224 5.746 -5.014 1.00 . A A . 3 PHE CD1 1 1
1 25 1 1 3 PHE CD2 C 4.494 3.486 -4.811 1.00 . A A . 3 PHE CD2 1 1
1 26 1 1 3 PHE CE1 C 3.910 6.171 -5.061 1.00 . A A . 3 PHE CE1 1 1
1 27 1 1 3 PHE CE2 C 3.178 3.904 -4.859 1.00 . A A . 3 PHE CE2 1 1
1 28 1 1 3 PHE CG C 5.531 4.401 -4.889 1.00 . A A . 3 PHE CG 1 1
1 29 1 1 3 PHE CZ C 2.885 5.248 -4.983 1.00 . A A . 3 PHE CZ 1 1
1 30 1 1 3 PHE H H 6.130 4.637 -2.046 1.00 . A A . 3 PHE H 1 1
1 31 1 1 3 PHE HA H 8.011 2.839 -3.335 1.00 . A A . 3 PHE HA 1 1
1 32 1 1 3 PHE HB2 H 7.560 4.670 -5.366 1.00 . A A . 3 PHE HB2 1 1
1 33 1 1 3 PHE HB3 H 7.025 2.993 -5.346 1.00 . A A . 3 PHE HB3 1 1
1 34 1 1 3 PHE HD1 H 6.026 6.469 -5.075 1.00 . A A . 3 PHE HD1 1 1
1 35 1 1 3 PHE HD2 H 4.721 2.434 -4.713 1.00 . A A . 3 PHE HD2 1 1
1 36 1 1 3 PHE HE1 H 3.685 7.222 -5.158 1.00 . A A . 3 PHE HE1 1 1
1 37 1 1 3 PHE HE2 H 2.378 3.180 -4.797 1.00 . A A . 3 PHE HE2 1 1
1 38 1 1 3 PHE HZ H 1.857 5.577 -5.020 1.00 . A A . 3 PHE HZ 1 1
1 39 1 1 3 PHE N N 6.406 3.790 -2.454 1.00 . A A . 3 PHE N 1 1
1 40 1 1 3 PHE O O 8.105 6.012 -2.735 1.00 . A A . 3 PHE O 1 1
1 41 1 1 4 LEU C C 10.831 6.678 -4.086 1.00 . A A . 4 LEU C 1 1
1 42 1 1 4 LEU CA C 10.830 5.588 -3.019 1.00 . A A . 4 LEU CA 1 1
1 43 1 1 4 LEU CB C 12.195 4.901 -2.975 1.00 . A A . 4 LEU CB 1 1
1 44 1 1 4 LEU CD1 C 13.564 6.874 -2.257 1.00 . A A . 4 LEU CD1 1 1
1 45 1 1 4 LEU CD2 C 14.666 4.940 -3.399 1.00 . A A . 4 LEU CD2 1 1
1 46 1 1 4 LEU CG C 13.401 5.782 -3.303 1.00 . A A . 4 LEU CG 1 1
1 47 1 1 4 LEU H H 10.028 3.711 -3.578 1.00 . A A . 4 LEU H 1 1
1 48 1 1 4 LEU HA H 10.632 6.041 -2.059 1.00 . A A . 4 LEU HA 1 1
1 49 1 1 4 LEU HB2 H 12.335 4.507 -1.980 1.00 . A A . 4 LEU HB2 1 1
1 50 1 1 4 LEU HB3 H 12.177 4.085 -3.684 1.00 . A A . 4 LEU HB3 1 1
1 51 1 1 4 LEU HD11 H 14.613 7.020 -2.050 1.00 . A A . 4 LEU HD11 1 1
1 52 1 1 4 LEU HD12 H 13.055 6.584 -1.351 1.00 . A A . 4 LEU HD12 1 1
1 53 1 1 4 LEU HD13 H 13.139 7.795 -2.630 1.00 . A A . 4 LEU HD13 1 1
1 54 1 1 4 LEU HD21 H 14.832 4.659 -4.428 1.00 . A A . 4 LEU HD21 1 1
1 55 1 1 4 LEU HD22 H 14.553 4.051 -2.796 1.00 . A A . 4 LEU HD22 1 1
1 56 1 1 4 LEU HD23 H 15.508 5.514 -3.042 1.00 . A A . 4 LEU HD23 1 1
1 57 1 1 4 LEU HG H 13.242 6.258 -4.260 1.00 . A A . 4 LEU HG 1 1
1 58 1 1 4 LEU N N 9.779 4.609 -3.276 1.00 . A A . 4 LEU N 1 1
1 59 1 1 4 LEU O O 10.814 6.391 -5.284 1.00 . A A . 4 LEU O 1 1
1 60 1 1 5 THR C C 12.083 9.946 -4.340 1.00 . A A . 5 THR C 1 1
1 61 1 1 5 THR CA C 10.858 9.065 -4.561 1.00 . A A . 5 THR CA 1 1
1 62 1 1 5 THR CB C 9.588 9.922 -4.401 1.00 . A A . 5 THR CB 1 1
1 63 1 1 5 THR CG2 C 8.439 9.343 -5.211 1.00 . A A . 5 THR CG2 1 1
1 64 1 1 5 THR H H 10.866 8.097 -2.679 1.00 . A A . 5 THR H 1 1
1 65 1 1 5 THR HA H 10.882 8.679 -5.569 1.00 . A A . 5 THR HA 1 1
1 66 1 1 5 THR HB H 9.797 10.919 -4.762 1.00 . A A . 5 THR HB 1 1
1 67 1 1 5 THR HG1 H 9.204 9.111 -2.645 1.00 . A A . 5 THR HG1 1 1
1 68 1 1 5 THR HG21 H 7.988 8.528 -4.664 1.00 . A A . 5 THR HG21 1 1
1 69 1 1 5 THR HG22 H 8.812 8.979 -6.157 1.00 . A A . 5 THR HG22 1 1
1 70 1 1 5 THR HG23 H 7.700 10.110 -5.386 1.00 . A A . 5 THR HG23 1 1
1 71 1 1 5 THR N N 10.853 7.932 -3.644 1.00 . A A . 5 THR N 1 1
1 72 1 1 5 THR O O 12.590 10.051 -3.223 1.00 . A A . 5 THR O 1 1
1 73 1 1 5 THR OG1 O 9.216 9.995 -3.020 1.00 . A A . 5 THR OG1 1 1
1 74 1 1 6 ARG C C 13.382 12.743 -4.598 1.00 . A A . 6 ARG C 1 1
1 75 1 1 6 ARG CA C 13.719 11.449 -5.333 1.00 . A A . 6 ARG CA 1 1
1 76 1 1 6 ARG CB C 14.239 11.766 -6.736 1.00 . A A . 6 ARG CB 1 1
1 77 1 1 6 ARG CD C 13.637 9.787 -8.163 1.00 . A A . 6 ARG CD 1 1
1 78 1 1 6 ARG CG C 14.762 10.549 -7.481 1.00 . A A . 6 ARG CG 1 1
1 79 1 1 6 ARG CZ C 13.895 7.446 -7.460 1.00 . A A . 6 ARG CZ 1 1
1 80 1 1 6 ARG H H 12.105 10.454 -6.273 1.00 . A A . 6 ARG H 1 1
1 81 1 1 6 ARG HA H 14.488 10.926 -4.783 1.00 . A A . 6 ARG HA 1 1
1 82 1 1 6 ARG HB2 H 13.437 12.198 -7.316 1.00 . A A . 6 ARG HB2 1 1
1 83 1 1 6 ARG HB3 H 15.042 12.484 -6.655 1.00 . A A . 6 ARG HB3 1 1
1 84 1 1 6 ARG HD2 H 12.783 10.441 -8.258 1.00 . A A . 6 ARG HD2 1 1
1 85 1 1 6 ARG HD3 H 13.969 9.483 -9.144 1.00 . A A . 6 ARG HD3 1 1
1 86 1 1 6 ARG HE H 12.452 8.671 -6.833 1.00 . A A . 6 ARG HE 1 1
1 87 1 1 6 ARG HG2 H 15.468 10.874 -8.231 1.00 . A A . 6 ARG HG2 1 1
1 88 1 1 6 ARG HG3 H 15.256 9.894 -6.779 1.00 . A A . 6 ARG HG3 1 1
1 89 1 1 6 ARG HH11 H 15.288 8.098 -8.769 1.00 . A A . 6 ARG HH11 1 1
1 90 1 1 6 ARG HH12 H 15.459 6.450 -8.265 1.00 . A A . 6 ARG HH12 1 1
1 91 1 1 6 ARG HH21 H 12.666 6.502 -6.162 1.00 . A A . 6 ARG HH21 1 1
1 92 1 1 6 ARG HH22 H 13.966 5.542 -6.783 1.00 . A A . 6 ARG HH22 1 1
1 93 1 1 6 ARG N N 12.553 10.577 -5.410 1.00 . A A . 6 ARG N 1 1
1 94 1 1 6 ARG NE N 13.242 8.601 -7.407 1.00 . A A . 6 ARG NE 1 1
1 95 1 1 6 ARG NH1 N 14.968 7.321 -8.228 1.00 . A A . 6 ARG NH1 1 1
1 96 1 1 6 ARG NH2 N 13.474 6.412 -6.742 1.00 . A A . 6 ARG NH2 1 1
1 97 1 1 6 ARG O O 14.264 13.554 -4.310 1.00 . A A . 6 ARG O 1 1
1 98 1 1 7 LEU C C 12.048 14.083 -2.128 1.00 . A A . 7 LEU C 1 1
1 99 1 1 7 LEU CA C 11.648 14.128 -3.599 1.00 . A A . 7 LEU CA 1 1
1 100 1 1 7 LEU CB C 10.130 14.270 -3.722 1.00 . A A . 7 LEU CB 1 1
1 101 1 1 7 LEU CD1 C 9.508 16.322 -5.020 1.00 . A A . 7 LEU CD1 1 1
1 102 1 1 7 LEU CD2 C 8.209 15.697 -2.976 1.00 . A A . 7 LEU CD2 1 1
1 103 1 1 7 LEU CG C 9.579 15.694 -3.637 1.00 . A A . 7 LEU CG 1 1
1 104 1 1 7 LEU H H 11.446 12.251 -4.554 1.00 . A A . 7 LEU H 1 1
1 105 1 1 7 LEU HA H 12.120 14.982 -4.062 1.00 . A A . 7 LEU HA 1 1
1 106 1 1 7 LEU HB2 H 9.836 13.858 -4.675 1.00 . A A . 7 LEU HB2 1 1
1 107 1 1 7 LEU HB3 H 9.679 13.692 -2.928 1.00 . A A . 7 LEU HB3 1 1
1 108 1 1 7 LEU HD11 H 9.209 17.355 -4.931 1.00 . A A . 7 LEU HD11 1 1
1 109 1 1 7 LEU HD12 H 8.786 15.789 -5.620 1.00 . A A . 7 LEU HD12 1 1
1 110 1 1 7 LEU HD13 H 10.479 16.267 -5.490 1.00 . A A . 7 LEU HD13 1 1
1 111 1 1 7 LEU HD21 H 7.568 14.984 -3.473 1.00 . A A . 7 LEU HD21 1 1
1 112 1 1 7 LEU HD22 H 7.775 16.684 -3.051 1.00 . A A . 7 LEU HD22 1 1
1 113 1 1 7 LEU HD23 H 8.310 15.427 -1.935 1.00 . A A . 7 LEU HD23 1 1
1 114 1 1 7 LEU HG H 10.245 16.294 -3.032 1.00 . A A . 7 LEU HG 1 1
1 115 1 1 7 LEU N N 12.102 12.932 -4.299 1.00 . A A . 7 LEU N 1 1
1 116 1 1 7 LEU O O 12.203 15.120 -1.484 1.00 . A A . 7 LEU O 1 1
1 117 1 1 8 GLY C C 12.772 11.261 0.181 1.00 . A A . 8 GLY C 1 1
1 118 1 1 8 GLY CA C 12.599 12.715 -0.211 1.00 . A A . 8 GLY CA 1 1
1 119 1 1 8 GLY H H 12.079 12.081 -2.163 1.00 . A A . 8 GLY H 1 1
1 120 1 1 8 GLY HA2 H 13.531 13.236 -0.044 1.00 . A A . 8 GLY HA2 1 1
1 121 1 1 8 GLY HA3 H 11.836 13.156 0.413 1.00 . A A . 8 GLY HA3 1 1
1 122 1 1 8 GLY N N 12.216 12.873 -1.602 1.00 . A A . 8 GLY N 1 1
1 123 1 1 8 GLY O O 13.887 10.809 0.447 1.00 . A A . 8 GLY O 1 1
1 124 1 1 9 THR C C 10.433 8.398 0.130 1.00 . A A . 9 THR C 1 1
1 125 1 1 9 THR CA C 11.700 9.114 0.585 1.00 . A A . 9 THR CA 1 1
1 126 1 1 9 THR CB C 11.860 8.932 2.107 1.00 . A A . 9 THR CB 1 1
1 127 1 1 9 THR CG2 C 10.578 9.305 2.835 1.00 . A A . 9 THR CG2 1 1
1 128 1 1 9 THR H H 10.808 10.941 -0.002 1.00 . A A . 9 THR H 1 1
1 129 1 1 9 THR HA H 12.552 8.663 0.098 1.00 . A A . 9 THR HA 1 1
1 130 1 1 9 THR HB H 12.654 9.580 2.450 1.00 . A A . 9 THR HB 1 1
1 131 1 1 9 THR HG1 H 13.140 7.436 2.232 1.00 . A A . 9 THR HG1 1 1
1 132 1 1 9 THR HG21 H 10.820 9.694 3.813 1.00 . A A . 9 THR HG21 1 1
1 133 1 1 9 THR HG22 H 9.955 8.430 2.939 1.00 . A A . 9 THR HG22 1 1
1 134 1 1 9 THR HG23 H 10.050 10.058 2.269 1.00 . A A . 9 THR HG23 1 1
1 135 1 1 9 THR N N 11.666 10.524 0.220 1.00 . A A . 9 THR N 1 1
1 136 1 1 9 THR O O 9.672 8.920 -0.684 1.00 . A A . 9 THR O 1 1
1 137 1 1 9 THR OG1 O 12.205 7.574 2.403 1.00 . A A . 9 THR OG1 1 1
1 138 1 1 10 TYR C C 7.763 7.232 0.466 1.00 . A A . 10 TYR C 1 1
1 139 1 1 10 TYR CA C 9.040 6.411 0.307 1.00 . A A . 10 TYR CA 1 1
1 140 1 1 10 TYR CB C 8.962 5.155 1.177 1.00 . A A . 10 TYR CB 1 1
1 141 1 1 10 TYR CD1 C 10.394 3.848 -0.441 1.00 . A A . 10 TYR CD1 1 1
1 142 1 1 10 TYR CD2 C 8.579 2.722 0.618 1.00 . A A . 10 TYR CD2 1 1
1 143 1 1 10 TYR CE1 C 10.723 2.689 -1.118 1.00 . A A . 10 TYR CE1 1 1
1 144 1 1 10 TYR CE2 C 8.902 1.559 -0.054 1.00 . A A . 10 TYR CE2 1 1
1 145 1 1 10 TYR CG C 9.319 3.885 0.438 1.00 . A A . 10 TYR CG 1 1
1 146 1 1 10 TYR CZ C 9.975 1.548 -0.921 1.00 . A A . 10 TYR CZ 1 1
1 147 1 1 10 TYR H H 10.857 6.837 1.304 1.00 . A A . 10 TYR H 1 1
1 148 1 1 10 TYR HA H 9.138 6.116 -0.727 1.00 . A A . 10 TYR HA 1 1
1 149 1 1 10 TYR HB2 H 9.644 5.258 2.007 1.00 . A A . 10 TYR HB2 1 1
1 150 1 1 10 TYR HB3 H 7.956 5.049 1.554 1.00 . A A . 10 TYR HB3 1 1
1 151 1 1 10 TYR HD1 H 10.979 4.743 -0.593 1.00 . A A . 10 TYR HD1 1 1
1 152 1 1 10 TYR HD2 H 7.739 2.735 1.298 1.00 . A A . 10 TYR HD2 1 1
1 153 1 1 10 TYR HE1 H 11.563 2.680 -1.797 1.00 . A A . 10 TYR HE1 1 1
1 154 1 1 10 TYR HE2 H 8.316 0.666 0.100 1.00 . A A . 10 TYR HE2 1 1
1 155 1 1 10 TYR HH H 9.768 -0.334 -1.256 1.00 . A A . 10 TYR HH 1 1
1 156 1 1 10 TYR N N 10.214 7.200 0.661 1.00 . A A . 10 TYR N 1 1
1 157 1 1 10 TYR O O 7.523 7.832 1.514 1.00 . A A . 10 TYR O 1 1
1 158 1 1 10 TYR OH O 10.298 0.392 -1.593 1.00 . A A . 10 TYR OH 1 1
1 159 1 1 11 VAL C C 4.574 7.210 -1.229 1.00 . A A . 11 VAL C 1 1
1 160 1 1 11 VAL CA C 5.694 8.000 -0.562 1.00 . A A . 11 VAL CA 1 1
1 161 1 1 11 VAL CB C 5.839 9.361 -1.267 1.00 . A A . 11 VAL CB 1 1
1 162 1 1 11 VAL CG1 C 6.402 9.179 -2.668 1.00 . A A . 11 VAL CG1 1 1
1 163 1 1 11 VAL CG2 C 4.501 10.083 -1.311 1.00 . A A . 11 VAL CG2 1 1
1 164 1 1 11 VAL H H 7.193 6.756 -1.391 1.00 . A A . 11 VAL H 1 1
1 165 1 1 11 VAL HA H 5.430 8.179 0.470 1.00 . A A . 11 VAL HA 1 1
1 166 1 1 11 VAL HB H 6.532 9.966 -0.701 1.00 . A A . 11 VAL HB 1 1
1 167 1 1 11 VAL HG11 H 7.285 8.558 -2.623 1.00 . A A . 11 VAL HG11 1 1
1 168 1 1 11 VAL HG12 H 5.660 8.709 -3.297 1.00 . A A . 11 VAL HG12 1 1
1 169 1 1 11 VAL HG13 H 6.663 10.144 -3.079 1.00 . A A . 11 VAL HG13 1 1
1 170 1 1 11 VAL HG21 H 3.969 9.910 -0.387 1.00 . A A . 11 VAL HG21 1 1
1 171 1 1 11 VAL HG22 H 4.667 11.143 -1.438 1.00 . A A . 11 VAL HG22 1 1
1 172 1 1 11 VAL HG23 H 3.916 9.709 -2.139 1.00 . A A . 11 VAL HG23 1 1
1 173 1 1 11 VAL N N 6.947 7.254 -0.583 1.00 . A A . 11 VAL N 1 1
1 174 1 1 11 VAL O O 4.769 6.603 -2.282 1.00 . A A . 11 VAL O 1 1
1 175 1 1 12 CYS C C 1.008 7.403 -1.152 1.00 . A A . 12 CYS C 1 1
1 176 1 1 12 CYS CA C 2.245 6.508 -1.142 1.00 . A A . 12 CYS CA 1 1
1 177 1 1 12 CYS CB C 1.971 5.250 -0.316 1.00 . A A . 12 CYS CB 1 1
1 178 1 1 12 CYS H H 3.304 7.725 0.228 1.00 . A A . 12 CYS H 1 1
1 179 1 1 12 CYS HA H 2.473 6.219 -2.157 1.00 . A A . 12 CYS HA 1 1
1 180 1 1 12 CYS HB2 H 0.917 5.203 -0.084 1.00 . A A . 12 CYS HB2 1 1
1 181 1 1 12 CYS HB3 H 2.246 4.381 -0.895 1.00 . A A . 12 CYS HB3 1 1
1 182 1 1 12 CYS N N 3.398 7.223 -0.609 1.00 . A A . 12 CYS N 1 1
1 183 1 1 12 CYS O O 0.610 7.916 -2.198 1.00 . A A . 12 CYS O 1 1
1 184 1 1 12 CYS SG S 2.886 5.181 1.258 1.00 . A A . 12 CYS SG 1 1
2 185 1 1 1 ALA C C 2.815 1.369 -1.387 1.00 . A A . 1 ALA C 1 1
2 186 1 1 1 ALA CA C 2.155 0.020 -1.125 1.00 . A A . 1 ALA CA 1 1
2 187 1 1 1 ALA CB C 2.783 -1.055 -1.999 1.00 . A A . 1 ALA CB 1 1
2 188 1 1 1 ALA H1 H 0.209 0.843 -1.003 1.00 . A A . 1 ALA H1 1 1
2 189 1 1 1 ALA HA H 2.313 -0.253 -0.092 1.00 . A A . 1 ALA HA 1 1
2 190 1 1 1 ALA HB1 H 3.540 -0.609 -2.629 1.00 . A A . 1 ALA HB1 1 1
2 191 1 1 1 ALA HB2 H 3.235 -1.810 -1.373 1.00 . A A . 1 ALA HB2 1 1
2 192 1 1 1 ALA HB3 H 2.022 -1.507 -2.617 1.00 . A A . 1 ALA HB3 1 1
2 193 1 1 1 ALA N N 0.718 0.085 -1.359 1.00 . A A . 1 ALA N 1 1
2 194 1 1 1 ALA O O 2.277 2.205 -2.114 1.00 . A A . 1 ALA O 1 1
2 195 1 1 2 CYS C C 5.835 2.667 -1.983 1.00 . A A . 2 CYS C 1 1
2 196 1 1 2 CYS CA C 4.717 2.826 -0.956 1.00 . A A . 2 CYS CA 1 1
2 197 1 1 2 CYS CB C 5.301 3.281 0.383 1.00 . A A . 2 CYS CB 1 1
2 198 1 1 2 CYS H H 4.362 0.872 -0.221 1.00 . A A . 2 CYS H 1 1
2 199 1 1 2 CYS HA H 4.024 3.573 -1.309 1.00 . A A . 2 CYS HA 1 1
2 200 1 1 2 CYS HB2 H 5.966 2.515 0.756 1.00 . A A . 2 CYS HB2 1 1
2 201 1 1 2 CYS HB3 H 5.860 4.193 0.232 1.00 . A A . 2 CYS HB3 1 1
2 202 1 1 2 CYS N N 3.984 1.577 -0.789 1.00 . A A . 2 CYS N 1 1
2 203 1 1 2 CYS O O 6.116 1.561 -2.444 1.00 . A A . 2 CYS O 1 1
2 204 1 1 2 CYS SG S 4.051 3.602 1.669 1.00 . A A . 2 CYS SG 1 1
2 205 1 1 3 PHE C C 8.545 4.894 -3.035 1.00 . A A . 3 PHE C 1 1
2 206 1 1 3 PHE CA C 7.555 3.766 -3.309 1.00 . A A . 3 PHE CA 1 1
2 207 1 1 3 PHE CB C 6.999 3.894 -4.728 1.00 . A A . 3 PHE CB 1 1
2 208 1 1 3 PHE CD1 C 4.542 3.381 -4.696 1.00 . A A . 3 PHE CD1 1 1
2 209 1 1 3 PHE CD2 C 5.222 5.659 -4.888 1.00 . A A . 3 PHE CD2 1 1
2 210 1 1 3 PHE CE1 C 3.216 3.770 -4.735 1.00 . A A . 3 PHE CE1 1 1
2 211 1 1 3 PHE CE2 C 3.898 6.053 -4.928 1.00 . A A . 3 PHE CE2 1 1
2 212 1 1 3 PHE CG C 5.559 4.320 -4.772 1.00 . A A . 3 PHE CG 1 1
2 213 1 1 3 PHE CZ C 2.894 5.108 -4.852 1.00 . A A . 3 PHE CZ 1 1
2 214 1 1 3 PHE H H 6.199 4.632 -1.933 1.00 . A A . 3 PHE H 1 1
2 215 1 1 3 PHE HA H 8.069 2.821 -3.217 1.00 . A A . 3 PHE HA 1 1
2 216 1 1 3 PHE HB2 H 7.577 4.628 -5.269 1.00 . A A . 3 PHE HB2 1 1
2 217 1 1 3 PHE HB3 H 7.079 2.940 -5.226 1.00 . A A . 3 PHE HB3 1 1
2 218 1 1 3 PHE HD1 H 4.794 2.334 -4.605 1.00 . A A . 3 PHE HD1 1 1
2 219 1 1 3 PHE HD2 H 6.006 6.400 -4.949 1.00 . A A . 3 PHE HD2 1 1
2 220 1 1 3 PHE HE1 H 2.434 3.028 -4.676 1.00 . A A . 3 PHE HE1 1 1
2 221 1 1 3 PHE HE2 H 3.648 7.100 -5.020 1.00 . A A . 3 PHE HE2 1 1
2 222 1 1 3 PHE HZ H 1.859 5.413 -4.882 1.00 . A A . 3 PHE HZ 1 1
2 223 1 1 3 PHE N N 6.469 3.780 -2.336 1.00 . A A . 3 PHE N 1 1
2 224 1 1 3 PHE O O 8.154 6.008 -2.686 1.00 . A A . 3 PHE O 1 1
2 225 1 1 4 LEU C C 10.857 6.663 -4.043 1.00 . A A . 4 LEU C 1 1
2 226 1 1 4 LEU CA C 10.879 5.584 -2.965 1.00 . A A . 4 LEU CA 1 1
2 227 1 1 4 LEU CB C 12.249 4.905 -2.934 1.00 . A A . 4 LEU CB 1 1
2 228 1 1 4 LEU CD1 C 13.622 6.899 -2.284 1.00 . A A . 4 LEU CD1 1 1
2 229 1 1 4 LEU CD2 C 14.710 4.949 -3.411 1.00 . A A . 4 LEU CD2 1 1
2 230 1 1 4 LEU CG C 13.443 5.785 -3.304 1.00 . A A . 4 LEU CG 1 1
2 231 1 1 4 LEU H H 10.081 3.691 -3.475 1.00 . A A . 4 LEU H 1 1
2 232 1 1 4 LEU HA H 10.694 6.046 -2.006 1.00 . A A . 4 LEU HA 1 1
2 233 1 1 4 LEU HB2 H 12.411 4.532 -1.935 1.00 . A A . 4 LEU HB2 1 1
2 234 1 1 4 LEU HB3 H 12.221 4.075 -3.626 1.00 . A A . 4 LEU HB3 1 1
2 235 1 1 4 LEU HD11 H 13.256 6.569 -1.323 1.00 . A A . 4 LEU HD11 1 1
2 236 1 1 4 LEU HD12 H 13.067 7.770 -2.601 1.00 . A A . 4 LEU HD12 1 1
2 237 1 1 4 LEU HD13 H 14.670 7.149 -2.204 1.00 . A A . 4 LEU HD13 1 1
2 238 1 1 4 LEU HD21 H 15.568 5.566 -3.190 1.00 . A A . 4 LEU HD21 1 1
2 239 1 1 4 LEU HD22 H 14.798 4.556 -4.414 1.00 . A A . 4 LEU HD22 1 1
2 240 1 1 4 LEU HD23 H 14.662 4.132 -2.707 1.00 . A A . 4 LEU HD23 1 1
2 241 1 1 4 LEU HG H 13.260 6.242 -4.267 1.00 . A A . 4 LEU HG 1 1
2 242 1 1 4 LEU N N 9.830 4.596 -3.195 1.00 . A A . 4 LEU N 1 1
2 243 1 1 4 LEU O O 10.880 6.363 -5.237 1.00 . A A . 4 LEU O 1 1
2 244 1 1 5 THR C C 12.014 9.934 -4.358 1.00 . A A . 5 THR C 1 1
2 245 1 1 5 THR CA C 10.791 9.044 -4.542 1.00 . A A . 5 THR CA 1 1
2 246 1 1 5 THR CB C 9.519 9.894 -4.363 1.00 . A A . 5 THR CB 1 1
2 247 1 1 5 THR CG2 C 8.369 9.326 -5.180 1.00 . A A . 5 THR CG2 1 1
2 248 1 1 5 THR H H 10.798 8.095 -2.650 1.00 . A A . 5 THR H 1 1
2 249 1 1 5 THR HA H 10.794 8.647 -5.547 1.00 . A A . 5 THR HA 1 1
2 250 1 1 5 THR HB H 9.724 10.898 -4.706 1.00 . A A . 5 THR HB 1 1
2 251 1 1 5 THR HG1 H 9.803 10.450 -2.492 1.00 . A A . 5 THR HG1 1 1
2 252 1 1 5 THR HG21 H 7.628 10.096 -5.341 1.00 . A A . 5 THR HG21 1 1
2 253 1 1 5 THR HG22 H 7.921 8.502 -4.646 1.00 . A A . 5 THR HG22 1 1
2 254 1 1 5 THR HG23 H 8.741 8.980 -6.132 1.00 . A A . 5 THR HG23 1 1
2 255 1 1 5 THR N N 10.815 7.920 -3.614 1.00 . A A . 5 THR N 1 1
2 256 1 1 5 THR O O 12.527 10.079 -3.249 1.00 . A A . 5 THR O 1 1
2 257 1 1 5 THR OG1 O 9.152 9.940 -2.979 1.00 . A A . 5 THR OG1 1 1
2 258 1 1 6 ARG C C 13.317 12.707 -4.683 1.00 . A A . 6 ARG C 1 1
2 259 1 1 6 ARG CA C 13.641 11.406 -5.412 1.00 . A A . 6 ARG CA 1 1
2 260 1 1 6 ARG CB C 14.127 11.711 -6.830 1.00 . A A . 6 ARG CB 1 1
2 261 1 1 6 ARG CD C 13.520 9.709 -8.223 1.00 . A A . 6 ARG CD 1 1
2 262 1 1 6 ARG CG C 14.649 10.490 -7.570 1.00 . A A . 6 ARG CG 1 1
2 263 1 1 6 ARG CZ C 13.818 7.381 -7.492 1.00 . A A . 6 ARG CZ 1 1
2 264 1 1 6 ARG H H 12.025 10.375 -6.309 1.00 . A A . 6 ARG H 1 1
2 265 1 1 6 ARG HA H 14.425 10.893 -4.875 1.00 . A A . 6 ARG HA 1 1
2 266 1 1 6 ARG HB2 H 13.307 12.125 -7.398 1.00 . A A . 6 ARG HB2 1 1
2 267 1 1 6 ARG HB3 H 14.922 12.440 -6.776 1.00 . A A . 6 ARG HB3 1 1
2 268 1 1 6 ARG HD2 H 12.658 10.354 -8.311 1.00 . A A . 6 ARG HD2 1 1
2 269 1 1 6 ARG HD3 H 13.838 9.397 -9.207 1.00 . A A . 6 ARG HD3 1 1
2 270 1 1 6 ARG HE H 12.367 8.596 -6.863 1.00 . A A . 6 ARG HE 1 1
2 271 1 1 6 ARG HG2 H 15.339 10.813 -8.336 1.00 . A A . 6 ARG HG2 1 1
2 272 1 1 6 ARG HG3 H 15.162 9.848 -6.869 1.00 . A A . 6 ARG HG3 1 1
2 273 1 1 6 ARG HH11 H 15.185 8.034 -8.828 1.00 . A A . 6 ARG HH11 1 1
2 274 1 1 6 ARG HH12 H 15.384 6.395 -8.304 1.00 . A A . 6 ARG HH12 1 1
2 275 1 1 6 ARG HH21 H 12.618 6.439 -6.166 1.00 . A A . 6 ARG HH21 1 1
2 276 1 1 6 ARG HH22 H 13.922 5.488 -6.791 1.00 . A A . 6 ARG HH22 1 1
2 277 1 1 6 ARG N N 12.477 10.530 -5.453 1.00 . A A . 6 ARG N 1 1
2 278 1 1 6 ARG NE N 13.151 8.529 -7.447 1.00 . A A . 6 ARG NE 1 1
2 279 1 1 6 ARG NH1 N 14.883 7.260 -8.272 1.00 . A A . 6 ARG NH1 1 1
2 280 1 1 6 ARG NH2 N 13.420 6.351 -6.756 1.00 . A A . 6 ARG NH2 1 1
2 281 1 1 6 ARG O O 14.205 13.514 -4.405 1.00 . A A . 6 ARG O 1 1
2 282 1 1 7 LEU C C 12.038 14.087 -2.222 1.00 . A A . 7 LEU C 1 1
2 283 1 1 7 LEU CA C 11.597 14.109 -3.682 1.00 . A A . 7 LEU CA 1 1
2 284 1 1 7 LEU CB C 10.075 14.238 -3.765 1.00 . A A . 7 LEU CB 1 1
2 285 1 1 7 LEU CD1 C 7.934 14.042 -5.054 1.00 . A A . 7 LEU CD1 1 1
2 286 1 1 7 LEU CD2 C 9.983 14.945 -6.168 1.00 . A A . 7 LEU CD2 1 1
2 287 1 1 7 LEU CG C 9.451 13.964 -5.133 1.00 . A A . 7 LEU CG 1 1
2 288 1 1 7 LEU H H 11.377 12.227 -4.625 1.00 . A A . 7 LEU H 1 1
2 289 1 1 7 LEU HA H 12.049 14.959 -4.170 1.00 . A A . 7 LEU HA 1 1
2 290 1 1 7 LEU HB2 H 9.645 13.543 -3.060 1.00 . A A . 7 LEU HB2 1 1
2 291 1 1 7 LEU HB3 H 9.814 15.247 -3.477 1.00 . A A . 7 LEU HB3 1 1
2 292 1 1 7 LEU HD11 H 7.535 14.290 -6.026 1.00 . A A . 7 LEU HD11 1 1
2 293 1 1 7 LEU HD12 H 7.649 14.803 -4.343 1.00 . A A . 7 LEU HD12 1 1
2 294 1 1 7 LEU HD13 H 7.541 13.087 -4.735 1.00 . A A . 7 LEU HD13 1 1
2 295 1 1 7 LEU HD21 H 11.045 14.793 -6.294 1.00 . A A . 7 LEU HD21 1 1
2 296 1 1 7 LEU HD22 H 9.802 15.956 -5.833 1.00 . A A . 7 LEU HD22 1 1
2 297 1 1 7 LEU HD23 H 9.482 14.782 -7.110 1.00 . A A . 7 LEU HD23 1 1
2 298 1 1 7 LEU HG H 9.717 12.965 -5.450 1.00 . A A . 7 LEU HG 1 1
2 299 1 1 7 LEU N N 12.039 12.905 -4.378 1.00 . A A . 7 LEU N 1 1
2 300 1 1 7 LEU O O 12.238 15.134 -1.608 1.00 . A A . 7 LEU O 1 1
2 301 1 1 8 GLY C C 12.789 11.303 0.122 1.00 . A A . 8 GLY C 1 1
2 302 1 1 8 GLY CA C 12.609 12.750 -0.290 1.00 . A A . 8 GLY CA 1 1
2 303 1 1 8 GLY H H 12.017 12.085 -2.211 1.00 . A A . 8 GLY H 1 1
2 304 1 1 8 GLY HA2 H 13.546 13.270 -0.157 1.00 . A A . 8 GLY HA2 1 1
2 305 1 1 8 GLY HA3 H 11.864 13.204 0.346 1.00 . A A . 8 GLY HA3 1 1
2 306 1 1 8 GLY N N 12.190 12.886 -1.673 1.00 . A A . 8 GLY N 1 1
2 307 1 1 8 GLY O O 13.911 10.846 0.344 1.00 . A A . 8 GLY O 1 1
2 308 1 1 9 THR C C 10.446 8.449 0.196 1.00 . A A . 9 THR C 1 1
2 309 1 1 9 THR CA C 11.719 9.174 0.619 1.00 . A A . 9 THR CA 1 1
2 310 1 1 9 THR CB C 11.902 9.020 2.140 1.00 . A A . 9 THR CB 1 1
2 311 1 1 9 THR CG2 C 13.163 8.228 2.456 1.00 . A A . 9 THR CG2 1 1
2 312 1 1 9 THR H H 10.815 10.997 0.037 1.00 . A A . 9 THR H 1 1
2 313 1 1 9 THR HA H 12.563 8.714 0.127 1.00 . A A . 9 THR HA 1 1
2 314 1 1 9 THR HB H 11.051 8.486 2.538 1.00 . A A . 9 THR HB 1 1
2 315 1 1 9 THR HG1 H 11.896 10.213 3.710 1.00 . A A . 9 THR HG1 1 1
2 316 1 1 9 THR HG21 H 12.929 7.174 2.482 1.00 . A A . 9 THR HG21 1 1
2 317 1 1 9 THR HG22 H 13.550 8.536 3.416 1.00 . A A . 9 THR HG22 1 1
2 318 1 1 9 THR HG23 H 13.904 8.413 1.693 1.00 . A A . 9 THR HG23 1 1
2 319 1 1 9 THR N N 11.680 10.577 0.227 1.00 . A A . 9 THR N 1 1
2 320 1 1 9 THR O O 9.629 8.993 -0.548 1.00 . A A . 9 THR O 1 1
2 321 1 1 9 THR OG1 O 11.976 10.309 2.758 1.00 . A A . 9 THR OG1 1 1
2 322 1 1 10 TYR C C 7.830 7.237 0.514 1.00 . A A . 10 TYR C 1 1
2 323 1 1 10 TYR CA C 9.109 6.422 0.346 1.00 . A A . 10 TYR CA 1 1
2 324 1 1 10 TYR CB C 9.051 5.174 1.228 1.00 . A A . 10 TYR CB 1 1
2 325 1 1 10 TYR CD1 C 8.686 2.735 0.687 1.00 . A A . 10 TYR CD1 1 1
2 326 1 1 10 TYR CD2 C 10.498 3.862 -0.373 1.00 . A A . 10 TYR CD2 1 1
2 327 1 1 10 TYR CE1 C 9.018 1.568 0.025 1.00 . A A . 10 TYR CE1 1 1
2 328 1 1 10 TYR CE2 C 10.836 2.701 -1.041 1.00 . A A . 10 TYR CE2 1 1
2 329 1 1 10 TYR CG C 9.418 3.900 0.500 1.00 . A A . 10 TYR CG 1 1
2 330 1 1 10 TYR CZ C 10.093 1.557 -0.838 1.00 . A A . 10 TYR CZ 1 1
2 331 1 1 10 TYR H H 10.968 6.843 1.264 1.00 . A A . 10 TYR H 1 1
2 332 1 1 10 TYR HA H 9.194 6.117 -0.687 1.00 . A A . 10 TYR HA 1 1
2 333 1 1 10 TYR HB2 H 9.737 5.293 2.053 1.00 . A A . 10 TYR HB2 1 1
2 334 1 1 10 TYR HB3 H 8.049 5.059 1.613 1.00 . A A . 10 TYR HB3 1 1
2 335 1 1 10 TYR HD1 H 7.844 2.746 1.364 1.00 . A A . 10 TYR HD1 1 1
2 336 1 1 10 TYR HD2 H 11.078 4.760 -0.529 1.00 . A A . 10 TYR HD2 1 1
2 337 1 1 10 TYR HE1 H 8.436 0.672 0.183 1.00 . A A . 10 TYR HE1 1 1
2 338 1 1 10 TYR HE2 H 11.679 2.692 -1.716 1.00 . A A . 10 TYR HE2 1 1
2 339 1 1 10 TYR HH H 9.917 -0.333 -1.144 1.00 . A A . 10 TYR HH 1 1
2 340 1 1 10 TYR N N 10.283 7.221 0.675 1.00 . A A . 10 TYR N 1 1
2 341 1 1 10 TYR O O 7.600 7.845 1.559 1.00 . A A . 10 TYR O 1 1
2 342 1 1 10 TYR OH O 10.428 0.398 -1.500 1.00 . A A . 10 TYR OH 1 1
2 343 1 1 11 VAL C C 4.614 7.171 -1.123 1.00 . A A . 11 VAL C 1 1
2 344 1 1 11 VAL CA C 5.741 7.980 -0.492 1.00 . A A . 11 VAL CA 1 1
2 345 1 1 11 VAL CB C 5.863 9.329 -1.225 1.00 . A A . 11 VAL CB 1 1
2 346 1 1 11 VAL CG1 C 6.396 9.124 -2.635 1.00 . A A . 11 VAL CG1 1 1
2 347 1 1 11 VAL CG2 C 4.521 10.043 -1.253 1.00 . A A . 11 VAL CG2 1 1
2 348 1 1 11 VAL H H 7.236 6.738 -1.329 1.00 . A A . 11 VAL H 1 1
2 349 1 1 11 VAL HA H 5.496 8.177 0.542 1.00 . A A . 11 VAL HA 1 1
2 350 1 1 11 VAL HB H 6.565 9.947 -0.685 1.00 . A A . 11 VAL HB 1 1
2 351 1 1 11 VAL HG11 H 5.658 8.601 -3.226 1.00 . A A . 11 VAL HG11 1 1
2 352 1 1 11 VAL HG12 H 6.605 10.084 -3.084 1.00 . A A . 11 VAL HG12 1 1
2 353 1 1 11 VAL HG13 H 7.304 8.539 -2.595 1.00 . A A . 11 VAL HG13 1 1
2 354 1 1 11 VAL HG21 H 3.923 9.654 -2.063 1.00 . A A . 11 VAL HG21 1 1
2 355 1 1 11 VAL HG22 H 4.006 9.880 -0.316 1.00 . A A . 11 VAL HG22 1 1
2 356 1 1 11 VAL HG23 H 4.678 11.102 -1.397 1.00 . A A . 11 VAL HG23 1 1
2 357 1 1 11 VAL N N 6.999 7.242 -0.524 1.00 . A A . 11 VAL N 1 1
2 358 1 1 11 VAL O O 4.801 6.522 -2.152 1.00 . A A . 11 VAL O 1 1
2 359 1 1 12 CYS C C 1.037 7.369 -0.984 1.00 . A A . 12 CYS C 1 1
2 360 1 1 12 CYS CA C 2.281 6.485 -0.998 1.00 . A A . 12 CYS CA 1 1
2 361 1 1 12 CYS CB C 2.039 5.232 -0.155 1.00 . A A . 12 CYS CB 1 1
2 362 1 1 12 CYS H H 3.354 7.749 0.319 1.00 . A A . 12 CYS H 1 1
2 363 1 1 12 CYS HA H 2.487 6.190 -2.015 1.00 . A A . 12 CYS HA 1 1
2 364 1 1 12 CYS HB2 H 0.990 5.174 0.098 1.00 . A A . 12 CYS HB2 1 1
2 365 1 1 12 CYS HB3 H 2.313 4.361 -0.732 1.00 . A A . 12 CYS HB3 1 1
2 366 1 1 12 CYS N N 3.441 7.214 -0.498 1.00 . A A . 12 CYS N 1 1
2 367 1 1 12 CYS O O 0.263 7.382 -1.942 1.00 . A A . 12 CYS O 1 1
2 368 1 1 12 CYS SG S 2.986 5.187 1.401 1.00 . A A . 12 CYS SG 1 1
3 369 1 1 1 ALA C C 2.781 1.385 -1.530 1.00 . A A . 1 ALA C 1 1
3 370 1 1 1 ALA CA C 2.114 0.036 -1.289 1.00 . A A . 1 ALA CA 1 1
3 371 1 1 1 ALA CB C 1.510 -0.495 -2.581 1.00 . A A . 1 ALA CB 1 1
3 372 1 1 1 ALA H1 H 0.792 1.019 0.039 1.00 . A A . 1 ALA H1 1 1
3 373 1 1 1 ALA HA H 2.861 -0.669 -0.953 1.00 . A A . 1 ALA HA 1 1
3 374 1 1 1 ALA HB1 H 1.775 0.161 -3.397 1.00 . A A . 1 ALA HB1 1 1
3 375 1 1 1 ALA HB2 H 1.892 -1.486 -2.776 1.00 . A A . 1 ALA HB2 1 1
3 376 1 1 1 ALA HB3 H 0.435 -0.535 -2.486 1.00 . A A . 1 ALA HB3 1 1
3 377 1 1 1 ALA N N 1.090 0.134 -0.256 1.00 . A A . 1 ALA N 1 1
3 378 1 1 1 ALA O O 2.253 2.231 -2.252 1.00 . A A . 1 ALA O 1 1
3 379 1 1 2 CYS C C 5.812 2.676 -2.086 1.00 . A A . 2 CYS C 1 1
3 380 1 1 2 CYS CA C 4.686 2.829 -1.067 1.00 . A A . 2 CYS CA 1 1
3 381 1 1 2 CYS CB C 5.259 3.268 0.282 1.00 . A A . 2 CYS CB 1 1
3 382 1 1 2 CYS H H 4.317 0.869 -0.357 1.00 . A A . 2 CYS H 1 1
3 383 1 1 2 CYS HA H 3.999 3.583 -1.419 1.00 . A A . 2 CYS HA 1 1
3 384 1 1 2 CYS HB2 H 5.916 2.495 0.653 1.00 . A A . 2 CYS HB2 1 1
3 385 1 1 2 CYS HB3 H 5.823 4.178 0.145 1.00 . A A . 2 CYS HB3 1 1
3 386 1 1 2 CYS N N 3.946 1.581 -0.920 1.00 . A A . 2 CYS N 1 1
3 387 1 1 2 CYS O O 6.096 1.573 -2.552 1.00 . A A . 2 CYS O 1 1
3 388 1 1 2 CYS SG S 3.998 3.582 1.558 1.00 . A A . 2 CYS SG 1 1
3 389 1 1 3 PHE C C 8.537 4.904 -3.095 1.00 . A A . 3 PHE C 1 1
3 390 1 1 3 PHE CA C 7.545 3.782 -3.388 1.00 . A A . 3 PHE CA 1 1
3 391 1 1 3 PHE CB C 7.002 3.926 -4.812 1.00 . A A . 3 PHE CB 1 1
3 392 1 1 3 PHE CD1 C 5.229 5.694 -4.971 1.00 . A A . 3 PHE CD1 1 1
3 393 1 1 3 PHE CD2 C 4.545 3.416 -4.804 1.00 . A A . 3 PHE CD2 1 1
3 394 1 1 3 PHE CE1 C 3.906 6.091 -5.019 1.00 . A A . 3 PHE CE1 1 1
3 395 1 1 3 PHE CE2 C 3.220 3.807 -4.853 1.00 . A A . 3 PHE CE2 1 1
3 396 1 1 3 PHE CG C 5.563 4.354 -4.864 1.00 . A A . 3 PHE CG 1 1
3 397 1 1 3 PHE CZ C 2.900 5.146 -4.959 1.00 . A A . 3 PHE CZ 1 1
3 398 1 1 3 PHE H H 6.178 4.640 -2.019 1.00 . A A . 3 PHE H 1 1
3 399 1 1 3 PHE HA H 8.055 2.835 -3.301 1.00 . A A . 3 PHE HA 1 1
3 400 1 1 3 PHE HB2 H 7.586 4.664 -5.340 1.00 . A A . 3 PHE HB2 1 1
3 401 1 1 3 PHE HB3 H 7.086 2.976 -5.318 1.00 . A A . 3 PHE HB3 1 1
3 402 1 1 3 PHE HD1 H 6.015 6.434 -5.018 1.00 . A A . 3 PHE HD1 1 1
3 403 1 1 3 PHE HD2 H 4.794 2.368 -4.720 1.00 . A A . 3 PHE HD2 1 1
3 404 1 1 3 PHE HE1 H 3.659 7.139 -5.103 1.00 . A A . 3 PHE HE1 1 1
3 405 1 1 3 PHE HE2 H 2.436 3.066 -4.805 1.00 . A A . 3 PHE HE2 1 1
3 406 1 1 3 PHE HZ H 1.866 5.454 -4.998 1.00 . A A . 3 PHE HZ 1 1
3 407 1 1 3 PHE N N 6.450 3.791 -2.425 1.00 . A A . 3 PHE N 1 1
3 408 1 1 3 PHE O O 8.145 6.017 -2.740 1.00 . A A . 3 PHE O 1 1
3 409 1 1 4 LEU C C 10.863 6.675 -4.065 1.00 . A A . 4 LEU C 1 1
3 410 1 1 4 LEU CA C 10.871 5.587 -2.997 1.00 . A A . 4 LEU CA 1 1
3 411 1 1 4 LEU CB C 12.239 4.903 -2.960 1.00 . A A . 4 LEU CB 1 1
3 412 1 1 4 LEU CD1 C 13.613 6.886 -2.279 1.00 . A A . 4 LEU CD1 1 1
3 413 1 1 4 LEU CD2 C 14.704 4.943 -3.416 1.00 . A A . 4 LEU CD2 1 1
3 414 1 1 4 LEU CG C 13.439 5.783 -3.312 1.00 . A A . 4 LEU CG 1 1
3 415 1 1 4 LEU H H 10.072 3.701 -3.531 1.00 . A A . 4 LEU H 1 1
3 416 1 1 4 LEU HA H 10.679 6.040 -2.036 1.00 . A A . 4 LEU HA 1 1
3 417 1 1 4 LEU HB2 H 12.391 4.520 -1.963 1.00 . A A . 4 LEU HB2 1 1
3 418 1 1 4 LEU HB3 H 12.215 4.080 -3.660 1.00 . A A . 4 LEU HB3 1 1
3 419 1 1 4 LEU HD11 H 14.662 7.116 -2.171 1.00 . A A . 4 LEU HD11 1 1
3 420 1 1 4 LEU HD12 H 13.217 6.556 -1.330 1.00 . A A . 4 LEU HD12 1 1
3 421 1 1 4 LEU HD13 H 13.081 7.769 -2.603 1.00 . A A . 4 LEU HD13 1 1
3 422 1 1 4 LEU HD21 H 15.562 5.556 -3.182 1.00 . A A . 4 LEU HD21 1 1
3 423 1 1 4 LEU HD22 H 14.800 4.559 -4.421 1.00 . A A . 4 LEU HD22 1 1
3 424 1 1 4 LEU HD23 H 14.648 4.120 -2.719 1.00 . A A . 4 LEU HD23 1 1
3 425 1 1 4 LEU HG H 13.266 6.250 -4.272 1.00 . A A . 4 LEU HG 1 1
3 426 1 1 4 LEU N N 9.822 4.604 -3.245 1.00 . A A . 4 LEU N 1 1
3 427 1 1 4 LEU O O 10.896 6.387 -5.262 1.00 . A A . 4 LEU O 1 1
3 428 1 1 5 THR C C 12.032 9.946 -4.340 1.00 . A A . 5 THR C 1 1
3 429 1 1 5 THR CA C 10.807 9.061 -4.543 1.00 . A A . 5 THR CA 1 1
3 430 1 1 5 THR CB C 9.537 9.914 -4.366 1.00 . A A . 5 THR CB 1 1
3 431 1 1 5 THR CG2 C 8.392 9.358 -5.199 1.00 . A A . 5 THR CG2 1 1
3 432 1 1 5 THR H H 10.794 8.095 -2.659 1.00 . A A . 5 THR H 1 1
3 433 1 1 5 THR HA H 10.818 8.673 -5.551 1.00 . A A . 5 THR HA 1 1
3 434 1 1 5 THR HB H 9.748 10.921 -4.698 1.00 . A A . 5 THR HB 1 1
3 435 1 1 5 THR HG1 H 9.195 10.852 -2.665 1.00 . A A . 5 THR HG1 1 1
3 436 1 1 5 THR HG21 H 7.654 10.130 -5.358 1.00 . A A . 5 THR HG21 1 1
3 437 1 1 5 THR HG22 H 7.938 8.528 -4.678 1.00 . A A . 5 THR HG22 1 1
3 438 1 1 5 THR HG23 H 8.771 9.021 -6.152 1.00 . A A . 5 THR HG23 1 1
3 439 1 1 5 THR N N 10.819 7.929 -3.625 1.00 . A A . 5 THR N 1 1
3 440 1 1 5 THR O O 12.536 10.079 -3.224 1.00 . A A . 5 THR O 1 1
3 441 1 1 5 THR OG1 O 9.157 9.948 -2.986 1.00 . A A . 5 THR OG1 1 1
3 442 1 1 6 ARG C C 13.346 12.718 -4.627 1.00 . A A . 6 ARG C 1 1
3 443 1 1 6 ARG CA C 13.672 11.423 -5.365 1.00 . A A . 6 ARG CA 1 1
3 444 1 1 6 ARG CB C 14.171 11.739 -6.776 1.00 . A A . 6 ARG CB 1 1
3 445 1 1 6 ARG CD C 13.570 9.753 -8.193 1.00 . A A . 6 ARG CD 1 1
3 446 1 1 6 ARG CG C 14.696 10.524 -7.523 1.00 . A A . 6 ARG CG 1 1
3 447 1 1 6 ARG CZ C 13.854 7.417 -7.482 1.00 . A A . 6 ARG CZ 1 1
3 448 1 1 6 ARG H H 12.061 10.405 -6.286 1.00 . A A . 6 ARG H 1 1
3 449 1 1 6 ARG HA H 14.449 10.902 -4.826 1.00 . A A . 6 ARG HA 1 1
3 450 1 1 6 ARG HB2 H 13.357 12.162 -7.347 1.00 . A A . 6 ARG HB2 1 1
3 451 1 1 6 ARG HB3 H 14.967 12.465 -6.709 1.00 . A A . 6 ARG HB3 1 1
3 452 1 1 6 ARG HD2 H 12.711 10.401 -8.283 1.00 . A A . 6 ARG HD2 1 1
3 453 1 1 6 ARG HD3 H 13.896 9.448 -9.176 1.00 . A A . 6 ARG HD3 1 1
3 454 1 1 6 ARG HE H 12.403 8.631 -6.853 1.00 . A A . 6 ARG HE 1 1
3 455 1 1 6 ARG HG2 H 15.393 10.852 -8.281 1.00 . A A . 6 ARG HG2 1 1
3 456 1 1 6 ARG HG3 H 15.201 9.874 -6.824 1.00 . A A . 6 ARG HG3 1 1
3 457 1 1 6 ARG HH11 H 15.235 8.078 -8.800 1.00 . A A . 6 ARG HH11 1 1
3 458 1 1 6 ARG HH12 H 15.424 6.433 -8.291 1.00 . A A . 6 ARG HH12 1 1
3 459 1 1 6 ARG HH21 H 12.641 6.466 -6.174 1.00 . A A . 6 ARG HH21 1 1
3 460 1 1 6 ARG HH22 H 13.947 5.517 -6.797 1.00 . A A . 6 ARG HH22 1 1
3 461 1 1 6 ARG N N 12.506 10.550 -5.424 1.00 . A A . 6 ARG N 1 1
3 462 1 1 6 ARG NE N 13.191 8.566 -7.430 1.00 . A A . 6 ARG NE 1 1
3 463 1 1 6 ARG NH1 N 14.925 7.299 -8.255 1.00 . A A . 6 ARG NH1 1 1
3 464 1 1 6 ARG NH2 N 13.447 6.381 -6.758 1.00 . A A . 6 ARG NH2 1 1
3 465 1 1 6 ARG O O 14.234 13.519 -4.333 1.00 . A A . 6 ARG O 1 1
3 466 1 1 7 LEU C C 12.050 14.078 -2.163 1.00 . A A . 7 LEU C 1 1
3 467 1 1 7 LEU CA C 11.621 14.115 -3.627 1.00 . A A . 7 LEU CA 1 1
3 468 1 1 7 LEU CB C 10.101 14.251 -3.722 1.00 . A A . 7 LEU CB 1 1
3 469 1 1 7 LEU CD1 C 9.158 16.166 -5.035 1.00 . A A . 7 LEU CD1 1 1
3 470 1 1 7 LEU CD2 C 8.357 15.738 -2.704 1.00 . A A . 7 LEU CD2 1 1
3 471 1 1 7 LEU CG C 9.548 15.675 -3.650 1.00 . A A . 7 LEU CG 1 1
3 472 1 1 7 LEU H H 11.404 12.243 -4.590 1.00 . A A . 7 LEU H 1 1
3 473 1 1 7 LEU HA H 12.081 14.968 -4.102 1.00 . A A . 7 LEU HA 1 1
3 474 1 1 7 LEU HB2 H 9.788 13.822 -4.662 1.00 . A A . 7 LEU HB2 1 1
3 475 1 1 7 LEU HB3 H 9.667 13.685 -2.909 1.00 . A A . 7 LEU HB3 1 1
3 476 1 1 7 LEU HD11 H 8.554 17.056 -4.944 1.00 . A A . 7 LEU HD11 1 1
3 477 1 1 7 LEU HD12 H 8.594 15.399 -5.543 1.00 . A A . 7 LEU HD12 1 1
3 478 1 1 7 LEU HD13 H 10.050 16.392 -5.601 1.00 . A A . 7 LEU HD13 1 1
3 479 1 1 7 LEU HD21 H 7.787 14.824 -2.783 1.00 . A A . 7 LEU HD21 1 1
3 480 1 1 7 LEU HD22 H 7.731 16.577 -2.969 1.00 . A A . 7 LEU HD22 1 1
3 481 1 1 7 LEU HD23 H 8.709 15.856 -1.690 1.00 . A A . 7 LEU HD23 1 1
3 482 1 1 7 LEU HG H 10.316 16.333 -3.267 1.00 . A A . 7 LEU HG 1 1
3 483 1 1 7 LEU N N 12.066 12.917 -4.330 1.00 . A A . 7 LEU N 1 1
3 484 1 1 7 LEU O O 12.248 15.118 -1.537 1.00 . A A . 7 LEU O 1 1
3 485 1 1 8 GLY C C 12.770 11.268 0.160 1.00 . A A . 8 GLY C 1 1
3 486 1 1 8 GLY CA C 12.598 12.720 -0.239 1.00 . A A . 8 GLY CA 1 1
3 487 1 1 8 GLY H H 12.020 12.076 -2.172 1.00 . A A . 8 GLY H 1 1
3 488 1 1 8 GLY HA2 H 13.535 13.236 -0.092 1.00 . A A . 8 GLY HA2 1 1
3 489 1 1 8 GLY HA3 H 11.848 13.169 0.395 1.00 . A A . 8 GLY HA3 1 1
3 490 1 1 8 GLY N N 12.192 12.871 -1.624 1.00 . A A . 8 GLY N 1 1
3 491 1 1 8 GLY O O 13.889 10.805 0.386 1.00 . A A . 8 GLY O 1 1
3 492 1 1 9 THR C C 10.418 8.422 0.187 1.00 . A A . 9 THR C 1 1
3 493 1 1 9 THR CA C 11.689 9.138 0.628 1.00 . A A . 9 THR CA 1 1
3 494 1 1 9 THR CB C 11.859 8.968 2.149 1.00 . A A . 9 THR CB 1 1
3 495 1 1 9 THR CG2 C 13.113 8.169 2.468 1.00 . A A . 9 THR CG2 1 1
3 496 1 1 9 THR H H 10.796 10.970 0.058 1.00 . A A . 9 THR H 1 1
3 497 1 1 9 THR HA H 12.537 8.680 0.139 1.00 . A A . 9 THR HA 1 1
3 498 1 1 9 THR HB H 11.002 8.434 2.534 1.00 . A A . 9 THR HB 1 1
3 499 1 1 9 THR HG1 H 11.349 10.267 3.544 1.00 . A A . 9 THR HG1 1 1
3 500 1 1 9 THR HG21 H 13.491 8.463 3.436 1.00 . A A . 9 THR HG21 1 1
3 501 1 1 9 THR HG22 H 13.863 8.361 1.716 1.00 . A A . 9 THR HG22 1 1
3 502 1 1 9 THR HG23 H 12.875 7.116 2.480 1.00 . A A . 9 THR HG23 1 1
3 503 1 1 9 THR N N 11.658 10.545 0.250 1.00 . A A . 9 THR N 1 1
3 504 1 1 9 THR O O 9.609 8.974 -0.560 1.00 . A A . 9 THR O 1 1
3 505 1 1 9 THR OG1 O 11.931 10.252 2.780 1.00 . A A . 9 THR OG1 1 1
3 506 1 1 10 TYR C C 7.795 7.214 0.469 1.00 . A A . 10 TYR C 1 1
3 507 1 1 10 TYR CA C 9.073 6.397 0.305 1.00 . A A . 10 TYR CA 1 1
3 508 1 1 10 TYR CB C 9.004 5.141 1.175 1.00 . A A . 10 TYR CB 1 1
3 509 1 1 10 TYR CD1 C 8.638 2.707 0.608 1.00 . A A . 10 TYR CD1 1 1
3 510 1 1 10 TYR CD2 C 10.462 3.841 -0.426 1.00 . A A . 10 TYR CD2 1 1
3 511 1 1 10 TYR CE1 C 8.974 1.547 -0.062 1.00 . A A . 10 TYR CE1 1 1
3 512 1 1 10 TYR CE2 C 10.804 2.685 -1.101 1.00 . A A . 10 TYR CE2 1 1
3 513 1 1 10 TYR CG C 9.375 3.873 0.438 1.00 . A A . 10 TYR CG 1 1
3 514 1 1 10 TYR CZ C 10.057 1.541 -0.916 1.00 . A A . 10 TYR CZ 1 1
3 515 1 1 10 TYR H H 10.926 6.803 1.244 1.00 . A A . 10 TYR H 1 1
3 516 1 1 10 TYR HA H 9.168 6.102 -0.730 1.00 . A A . 10 TYR HA 1 1
3 517 1 1 10 TYR HB2 H 9.681 5.250 2.007 1.00 . A A . 10 TYR HB2 1 1
3 518 1 1 10 TYR HB3 H 7.997 5.025 1.548 1.00 . A A . 10 TYR HB3 1 1
3 519 1 1 10 TYR HD1 H 7.790 2.715 1.277 1.00 . A A . 10 TYR HD1 1 1
3 520 1 1 10 TYR HD2 H 11.046 4.739 -0.568 1.00 . A A . 10 TYR HD2 1 1
3 521 1 1 10 TYR HE1 H 8.389 0.650 0.082 1.00 . A A . 10 TYR HE1 1 1
3 522 1 1 10 TYR HE2 H 11.653 2.680 -1.769 1.00 . A A . 10 TYR HE2 1 1
3 523 1 1 10 TYR HH H 9.791 -0.316 -1.336 1.00 . A A . 10 TYR HH 1 1
3 524 1 1 10 TYR N N 10.246 7.190 0.653 1.00 . A A . 10 TYR N 1 1
3 525 1 1 10 TYR O O 7.558 7.814 1.518 1.00 . A A . 10 TYR O 1 1
3 526 1 1 10 TYR OH O 10.395 0.387 -1.585 1.00 . A A . 10 TYR OH 1 1
3 527 1 1 11 VAL C C 4.594 7.173 -1.197 1.00 . A A . 11 VAL C 1 1
3 528 1 1 11 VAL CA C 5.718 7.973 -0.549 1.00 . A A . 11 VAL CA 1 1
3 529 1 1 11 VAL CB C 5.851 9.328 -1.269 1.00 . A A . 11 VAL CB 1 1
3 530 1 1 11 VAL CG1 C 6.397 9.134 -2.675 1.00 . A A . 11 VAL CG1 1 1
3 531 1 1 11 VAL CG2 C 4.510 10.046 -1.303 1.00 . A A . 11 VAL CG2 1 1
3 532 1 1 11 VAL H H 7.217 6.734 -1.384 1.00 . A A . 11 VAL H 1 1
3 533 1 1 11 VAL HA H 5.464 8.162 0.484 1.00 . A A . 11 VAL HA 1 1
3 534 1 1 11 VAL HB H 6.549 9.940 -0.717 1.00 . A A . 11 VAL HB 1 1
3 535 1 1 11 VAL HG11 H 6.634 10.096 -3.105 1.00 . A A . 11 VAL HG11 1 1
3 536 1 1 11 VAL HG12 H 7.289 8.526 -2.635 1.00 . A A . 11 VAL HG12 1 1
3 537 1 1 11 VAL HG13 H 5.653 8.643 -3.285 1.00 . A A . 11 VAL HG13 1 1
3 538 1 1 11 VAL HG21 H 3.918 9.663 -2.120 1.00 . A A . 11 VAL HG21 1 1
3 539 1 1 11 VAL HG22 H 3.989 9.880 -0.371 1.00 . A A . 11 VAL HG22 1 1
3 540 1 1 11 VAL HG23 H 4.672 11.105 -1.440 1.00 . A A . 11 VAL HG23 1 1
3 541 1 1 11 VAL N N 6.974 7.232 -0.576 1.00 . A A . 11 VAL N 1 1
3 542 1 1 11 VAL O O 4.788 6.534 -2.231 1.00 . A A . 11 VAL O 1 1
3 543 1 1 12 CYS C C 1.017 7.380 -1.086 1.00 . A A . 12 CYS C 1 1
3 544 1 1 12 CYS CA C 2.259 6.493 -1.098 1.00 . A A . 12 CYS CA 1 1
3 545 1 1 12 CYS CB C 2.006 5.232 -0.270 1.00 . A A . 12 CYS CB 1 1
3 546 1 1 12 CYS H H 3.323 7.741 0.240 1.00 . A A . 12 CYS H 1 1
3 547 1 1 12 CYS HA H 2.473 6.207 -2.117 1.00 . A A . 12 CYS HA 1 1
3 548 1 1 12 CYS HB2 H 0.955 5.174 -0.027 1.00 . A A . 12 CYS HB2 1 1
3 549 1 1 12 CYS HB3 H 2.283 4.366 -0.853 1.00 . A A . 12 CYS HB3 1 1
3 550 1 1 12 CYS N N 3.416 7.214 -0.582 1.00 . A A . 12 CYS N 1 1
3 551 1 1 12 CYS O O 0.098 7.188 -1.883 1.00 . A A . 12 CYS O 1 1
3 552 1 1 12 CYS SG S 2.939 5.170 1.294 1.00 . A A . 12 CYS SG 1 1
4 553 1 1 1 ALA C C 4.072 0.728 -0.601 1.00 . A A . 1 ALA C 1 1
4 554 1 1 1 ALA CA C 3.127 -0.465 -0.497 1.00 . A A . 1 ALA CA 1 1
4 555 1 1 1 ALA CB C 3.910 -1.768 -0.556 1.00 . A A . 1 ALA CB 1 1
4 556 1 1 1 ALA H1 H 2.406 -0.305 -2.480 1.00 . A A . 1 ALA H1 1 1
4 557 1 1 1 ALA HA H 2.615 -0.423 0.454 1.00 . A A . 1 ALA HA 1 1
4 558 1 1 1 ALA HB1 H 3.243 -2.576 -0.820 1.00 . A A . 1 ALA HB1 1 1
4 559 1 1 1 ALA HB2 H 4.689 -1.686 -1.299 1.00 . A A . 1 ALA HB2 1 1
4 560 1 1 1 ALA HB3 H 4.351 -1.966 0.409 1.00 . A A . 1 ALA HB3 1 1
4 561 1 1 1 ALA N N 2.121 -0.431 -1.551 1.00 . A A . 1 ALA N 1 1
4 562 1 1 1 ALA O O 5.267 0.611 -0.331 1.00 . A A . 1 ALA O 1 1
4 563 1 1 2 CYS C C 5.443 2.891 -2.153 1.00 . A A . 2 CYS C 1 1
4 564 1 1 2 CYS CA C 4.323 3.089 -1.136 1.00 . A A . 2 CYS CA 1 1
4 565 1 1 2 CYS CB C 4.912 3.498 0.215 1.00 . A A . 2 CYS CB 1 1
4 566 1 1 2 CYS H H 2.569 1.906 -1.196 1.00 . A A . 2 CYS H 1 1
4 567 1 1 2 CYS HA H 3.670 3.874 -1.487 1.00 . A A . 2 CYS HA 1 1
4 568 1 1 2 CYS HB2 H 5.538 2.698 0.583 1.00 . A A . 2 CYS HB2 1 1
4 569 1 1 2 CYS HB3 H 5.512 4.386 0.083 1.00 . A A . 2 CYS HB3 1 1
4 570 1 1 2 CYS N N 3.528 1.875 -0.995 1.00 . A A . 2 CYS N 1 1
4 571 1 1 2 CYS O O 5.671 1.780 -2.634 1.00 . A A . 2 CYS O 1 1
4 572 1 1 2 CYS SG S 3.664 3.856 1.493 1.00 . A A . 2 CYS SG 1 1
4 573 1 1 3 PHE C C 8.280 4.992 -3.131 1.00 . A A . 3 PHE C 1 1
4 574 1 1 3 PHE CA C 7.236 3.921 -3.437 1.00 . A A . 3 PHE CA 1 1
4 575 1 1 3 PHE CB C 6.705 4.102 -4.860 1.00 . A A . 3 PHE CB 1 1
4 576 1 1 3 PHE CD1 C 5.025 5.961 -5.007 1.00 . A A . 3 PHE CD1 1 1
4 577 1 1 3 PHE CD2 C 4.225 3.719 -4.867 1.00 . A A . 3 PHE CD2 1 1
4 578 1 1 3 PHE CE1 C 3.724 6.426 -5.056 1.00 . A A . 3 PHE CE1 1 1
4 579 1 1 3 PHE CE2 C 2.922 4.178 -4.916 1.00 . A A . 3 PHE CE2 1 1
4 580 1 1 3 PHE CG C 5.290 4.604 -4.913 1.00 . A A . 3 PHE CG 1 1
4 581 1 1 3 PHE CZ C 2.672 5.533 -5.009 1.00 . A A . 3 PHE CZ 1 1
4 582 1 1 3 PHE H H 5.911 4.832 -2.060 1.00 . A A . 3 PHE H 1 1
4 583 1 1 3 PHE HA H 7.699 2.950 -3.355 1.00 . A A . 3 PHE HA 1 1
4 584 1 1 3 PHE HB2 H 7.328 4.813 -5.382 1.00 . A A . 3 PHE HB2 1 1
4 585 1 1 3 PHE HB3 H 6.741 3.153 -5.373 1.00 . A A . 3 PHE HB3 1 1
4 586 1 1 3 PHE HD1 H 5.849 6.660 -5.044 1.00 . A A . 3 PHE HD1 1 1
4 587 1 1 3 PHE HD2 H 4.419 2.659 -4.793 1.00 . A A . 3 PHE HD2 1 1
4 588 1 1 3 PHE HE1 H 3.532 7.486 -5.129 1.00 . A A . 3 PHE HE1 1 1
4 589 1 1 3 PHE HE2 H 2.101 3.478 -4.879 1.00 . A A . 3 PHE HE2 1 1
4 590 1 1 3 PHE HZ H 1.655 5.894 -5.048 1.00 . A A . 3 PHE HZ 1 1
4 591 1 1 3 PHE N N 6.140 3.975 -2.477 1.00 . A A . 3 PHE N 1 1
4 592 1 1 3 PHE O O 7.942 6.118 -2.764 1.00 . A A . 3 PHE O 1 1
4 593 1 1 4 LEU C C 10.691 6.657 -4.084 1.00 . A A . 4 LEU C 1 1
4 594 1 1 4 LEU CA C 10.644 5.561 -3.025 1.00 . A A . 4 LEU CA 1 1
4 595 1 1 4 LEU CB C 11.977 4.812 -2.991 1.00 . A A . 4 LEU CB 1 1
4 596 1 1 4 LEU CD1 C 13.442 6.720 -2.288 1.00 . A A . 4 LEU CD1 1 1
4 597 1 1 4 LEU CD2 C 14.443 4.738 -3.439 1.00 . A A . 4 LEU CD2 1 1
4 598 1 1 4 LEU CG C 13.219 5.636 -3.331 1.00 . A A . 4 LEU CG 1 1
4 599 1 1 4 LEU H H 9.756 3.721 -3.579 1.00 . A A . 4 LEU H 1 1
4 600 1 1 4 LEU HA H 10.471 6.015 -2.061 1.00 . A A . 4 LEU HA 1 1
4 601 1 1 4 LEU HB2 H 12.107 4.413 -1.997 1.00 . A A . 4 LEU HB2 1 1
4 602 1 1 4 LEU HB3 H 11.916 3.997 -3.699 1.00 . A A . 4 LEU HB3 1 1
4 603 1 1 4 LEU HD11 H 12.996 7.643 -2.626 1.00 . A A . 4 LEU HD11 1 1
4 604 1 1 4 LEU HD12 H 14.502 6.866 -2.140 1.00 . A A . 4 LEU HD12 1 1
4 605 1 1 4 LEU HD13 H 12.987 6.420 -1.354 1.00 . A A . 4 LEU HD13 1 1
4 606 1 1 4 LEU HD21 H 14.337 3.903 -2.761 1.00 . A A . 4 LEU HD21 1 1
4 607 1 1 4 LEU HD22 H 15.327 5.302 -3.180 1.00 . A A . 4 LEU HD22 1 1
4 608 1 1 4 LEU HD23 H 14.532 4.372 -4.451 1.00 . A A . 4 LEU HD23 1 1
4 609 1 1 4 LEU HG H 13.073 6.119 -4.287 1.00 . A A . 4 LEU HG 1 1
4 610 1 1 4 LEU N N 9.549 4.632 -3.285 1.00 . A A . 4 LEU N 1 1
4 611 1 1 4 LEU O O 10.712 6.378 -5.283 1.00 . A A . 4 LEU O 1 1
4 612 1 1 5 THR C C 12.021 9.869 -4.330 1.00 . A A . 5 THR C 1 1
4 613 1 1 5 THR CA C 10.754 9.047 -4.541 1.00 . A A . 5 THR CA 1 1
4 614 1 1 5 THR CB C 9.527 9.960 -4.359 1.00 . A A . 5 THR CB 1 1
4 615 1 1 5 THR CG2 C 8.357 9.468 -5.197 1.00 . A A . 5 THR CG2 1 1
4 616 1 1 5 THR H H 10.690 8.067 -2.667 1.00 . A A . 5 THR H 1 1
4 617 1 1 5 THR HA H 10.747 8.668 -5.553 1.00 . A A . 5 THR HA 1 1
4 618 1 1 5 THR HB H 9.788 10.958 -4.683 1.00 . A A . 5 THR HB 1 1
4 619 1 1 5 THR HG1 H 9.072 10.916 -2.695 1.00 . A A . 5 THR HG1 1 1
4 620 1 1 5 THR HG21 H 7.862 8.656 -4.683 1.00 . A A . 5 THR HG21 1 1
4 621 1 1 5 THR HG22 H 8.719 9.121 -6.153 1.00 . A A . 5 THR HG22 1 1
4 622 1 1 5 THR HG23 H 7.657 10.276 -5.348 1.00 . A A . 5 THR HG23 1 1
4 623 1 1 5 THR N N 10.709 7.908 -3.633 1.00 . A A . 5 THR N 1 1
4 624 1 1 5 THR O O 12.527 9.969 -3.213 1.00 . A A . 5 THR O 1 1
4 625 1 1 5 THR OG1 O 9.148 10.002 -2.979 1.00 . A A . 5 THR OG1 1 1
4 626 1 1 6 ARG C C 13.471 12.573 -4.597 1.00 . A A . 6 ARG C 1 1
4 627 1 1 6 ARG CA C 13.735 11.268 -5.342 1.00 . A A . 6 ARG CA 1 1
4 628 1 1 6 ARG CB C 14.254 11.567 -6.750 1.00 . A A . 6 ARG CB 1 1
4 629 1 1 6 ARG CD C 13.557 9.624 -8.182 1.00 . A A . 6 ARG CD 1 1
4 630 1 1 6 ARG CG C 14.719 10.332 -7.503 1.00 . A A . 6 ARG CG 1 1
4 631 1 1 6 ARG CZ C 13.719 7.272 -7.487 1.00 . A A . 6 ARG CZ 1 1
4 632 1 1 6 ARG H H 12.078 10.338 -6.273 1.00 . A A . 6 ARG H 1 1
4 633 1 1 6 ARG HA H 14.484 10.705 -4.804 1.00 . A A . 6 ARG HA 1 1
4 634 1 1 6 ARG HB2 H 13.464 12.034 -7.320 1.00 . A A . 6 ARG HB2 1 1
4 635 1 1 6 ARG HB3 H 15.086 12.251 -6.675 1.00 . A A . 6 ARG HB3 1 1
4 636 1 1 6 ARG HD2 H 12.732 10.316 -8.270 1.00 . A A . 6 ARG HD2 1 1
4 637 1 1 6 ARG HD3 H 13.870 9.311 -9.167 1.00 . A A . 6 ARG HD3 1 1
4 638 1 1 6 ARG HE H 12.327 8.553 -6.856 1.00 . A A . 6 ARG HE 1 1
4 639 1 1 6 ARG HG2 H 15.434 10.629 -8.256 1.00 . A A . 6 ARG HG2 1 1
4 640 1 1 6 ARG HG3 H 15.186 9.652 -6.807 1.00 . A A . 6 ARG HG3 1 1
4 641 1 1 6 ARG HH11 H 15.138 7.872 -8.794 1.00 . A A . 6 ARG HH11 1 1
4 642 1 1 6 ARG HH12 H 15.241 6.216 -8.296 1.00 . A A . 6 ARG HH12 1 1
4 643 1 1 6 ARG HH21 H 12.453 6.375 -6.192 1.00 . A A . 6 ARG HH21 1 1
4 644 1 1 6 ARG HH22 H 13.713 5.365 -6.816 1.00 . A A . 6 ARG HH22 1 1
4 645 1 1 6 ARG N N 12.527 10.455 -5.410 1.00 . A A . 6 ARG N 1 1
4 646 1 1 6 ARG NE N 13.114 8.453 -7.430 1.00 . A A . 6 ARG NE 1 1
4 647 1 1 6 ARG NH1 N 14.787 7.106 -8.256 1.00 . A A . 6 ARG NH1 1 1
4 648 1 1 6 ARG NH2 N 13.257 6.253 -6.773 1.00 . A A . 6 ARG NH2 1 1
4 649 1 1 6 ARG O O 14.398 13.327 -4.296 1.00 . A A . 6 ARG O 1 1
4 650 1 1 7 LEU C C 12.238 13.981 -2.129 1.00 . A A . 7 LEU C 1 1
4 651 1 1 7 LEU CA C 11.816 14.048 -3.593 1.00 . A A . 7 LEU CA 1 1
4 652 1 1 7 LEU CB C 10.304 14.260 -3.691 1.00 . A A . 7 LEU CB 1 1
4 653 1 1 7 LEU CD1 C 10.219 16.473 -4.865 1.00 . A A . 7 LEU CD1 1 1
4 654 1 1 7 LEU CD2 C 8.316 15.761 -3.408 1.00 . A A . 7 LEU CD2 1 1
4 655 1 1 7 LEU CG C 9.823 15.710 -3.611 1.00 . A A . 7 LEU CG 1 1
4 656 1 1 7 LEU H H 11.509 12.195 -4.568 1.00 . A A . 7 LEU H 1 1
4 657 1 1 7 LEU HA H 12.319 14.881 -4.063 1.00 . A A . 7 LEU HA 1 1
4 658 1 1 7 LEU HB2 H 9.974 13.854 -4.634 1.00 . A A . 7 LEU HB2 1 1
4 659 1 1 7 LEU HB3 H 9.841 13.712 -2.883 1.00 . A A . 7 LEU HB3 1 1
4 660 1 1 7 LEU HD11 H 11.223 16.198 -5.152 1.00 . A A . 7 LEU HD11 1 1
4 661 1 1 7 LEU HD12 H 10.179 17.534 -4.668 1.00 . A A . 7 LEU HD12 1 1
4 662 1 1 7 LEU HD13 H 9.536 16.230 -5.666 1.00 . A A . 7 LEU HD13 1 1
4 663 1 1 7 LEU HD21 H 7.843 15.021 -4.037 1.00 . A A . 7 LEU HD21 1 1
4 664 1 1 7 LEU HD22 H 7.950 16.743 -3.670 1.00 . A A . 7 LEU HD22 1 1
4 665 1 1 7 LEU HD23 H 8.085 15.554 -2.373 1.00 . A A . 7 LEU HD23 1 1
4 666 1 1 7 LEU HG H 10.292 16.192 -2.765 1.00 . A A . 7 LEU HG 1 1
4 667 1 1 7 LEU N N 12.203 12.834 -4.303 1.00 . A A . 7 LEU N 1 1
4 668 1 1 7 LEU O O 12.485 15.007 -1.496 1.00 . A A . 7 LEU O 1 1
4 669 1 1 8 GLY C C 12.814 11.126 0.179 1.00 . A A . 8 GLY C 1 1
4 670 1 1 8 GLY CA C 12.714 12.587 -0.212 1.00 . A A . 8 GLY CA 1 1
4 671 1 1 8 GLY H H 12.111 11.984 -2.149 1.00 . A A . 8 GLY H 1 1
4 672 1 1 8 GLY HA2 H 13.675 13.056 -0.059 1.00 . A A . 8 GLY HA2 1 1
4 673 1 1 8 GLY HA3 H 11.985 13.069 0.423 1.00 . A A . 8 GLY HA3 1 1
4 674 1 1 8 GLY N N 12.320 12.766 -1.597 1.00 . A A . 8 GLY N 1 1
4 675 1 1 8 GLY O O 13.908 10.609 0.407 1.00 . A A . 8 GLY O 1 1
4 676 1 1 9 THR C C 10.326 8.397 0.180 1.00 . A A . 9 THR C 1 1
4 677 1 1 9 THR CA C 11.629 9.048 0.629 1.00 . A A . 9 THR CA 1 1
4 678 1 1 9 THR CB C 11.786 8.861 2.150 1.00 . A A . 9 THR CB 1 1
4 679 1 1 9 THR CG2 C 12.999 7.999 2.467 1.00 . A A . 9 THR CG2 1 1
4 680 1 1 9 THR H H 10.828 10.925 0.067 1.00 . A A . 9 THR H 1 1
4 681 1 1 9 THR HA H 12.455 8.552 0.139 1.00 . A A . 9 THR HA 1 1
4 682 1 1 9 THR HB H 10.903 8.367 2.529 1.00 . A A . 9 THR HB 1 1
4 683 1 1 9 THR HG1 H 12.816 10.460 2.672 1.00 . A A . 9 THR HG1 1 1
4 684 1 1 9 THR HG21 H 12.711 6.958 2.468 1.00 . A A . 9 THR HG21 1 1
4 685 1 1 9 THR HG22 H 13.387 8.267 3.438 1.00 . A A . 9 THR HG22 1 1
4 686 1 1 9 THR HG23 H 13.760 8.160 1.718 1.00 . A A . 9 THR HG23 1 1
4 687 1 1 9 THR N N 11.668 10.457 0.260 1.00 . A A . 9 THR N 1 1
4 688 1 1 9 THR O O 9.547 8.993 -0.565 1.00 . A A . 9 THR O 1 1
4 689 1 1 9 THR OG1 O 11.920 10.135 2.789 1.00 . A A . 9 THR OG1 1 1
4 690 1 1 10 TYR C C 7.647 7.316 0.450 1.00 . A A . 10 TYR C 1 1
4 691 1 1 10 TYR CA C 8.884 6.440 0.282 1.00 . A A . 10 TYR CA 1 1
4 692 1 1 10 TYR CB C 8.752 5.182 1.142 1.00 . A A . 10 TYR CB 1 1
4 693 1 1 10 TYR CD1 C 8.262 2.775 0.555 1.00 . A A . 10 TYR CD1 1 1
4 694 1 1 10 TYR CD2 C 10.144 3.821 -0.467 1.00 . A A . 10 TYR CD2 1 1
4 695 1 1 10 TYR CE1 C 8.538 1.604 -0.124 1.00 . A A . 10 TYR CE1 1 1
4 696 1 1 10 TYR CE2 C 10.427 2.655 -1.151 1.00 . A A . 10 TYR CE2 1 1
4 697 1 1 10 TYR CG C 9.058 3.903 0.396 1.00 . A A . 10 TYR CG 1 1
4 698 1 1 10 TYR CZ C 9.621 1.549 -0.976 1.00 . A A . 10 TYR CZ 1 1
4 699 1 1 10 TYR H H 10.751 6.749 1.228 1.00 . A A . 10 TYR H 1 1
4 700 1 1 10 TYR HA H 8.966 6.148 -0.755 1.00 . A A . 10 TYR HA 1 1
4 701 1 1 10 TYR HB2 H 9.435 5.251 1.975 1.00 . A A . 10 TYR HB2 1 1
4 702 1 1 10 TYR HB3 H 7.741 5.114 1.516 1.00 . A A . 10 TYR HB3 1 1
4 703 1 1 10 TYR HD1 H 7.414 2.822 1.223 1.00 . A A . 10 TYR HD1 1 1
4 704 1 1 10 TYR HD2 H 10.774 4.689 -0.601 1.00 . A A . 10 TYR HD2 1 1
4 705 1 1 10 TYR HE1 H 7.907 0.738 0.012 1.00 . A A . 10 TYR HE1 1 1
4 706 1 1 10 TYR HE2 H 11.275 2.612 -1.818 1.00 . A A . 10 TYR HE2 1 1
4 707 1 1 10 TYR HH H 10.338 -0.232 -1.064 1.00 . A A . 10 TYR HH 1 1
4 708 1 1 10 TYR N N 10.093 7.172 0.638 1.00 . A A . 10 TYR N 1 1
4 709 1 1 10 TYR O O 7.438 7.921 1.502 1.00 . A A . 10 TYR O 1 1
4 710 1 1 10 TYR OH O 9.900 0.385 -1.655 1.00 . A A . 10 TYR OH 1 1
4 711 1 1 11 VAL C C 4.450 7.441 -1.224 1.00 . A A . 11 VAL C 1 1
4 712 1 1 11 VAL CA C 5.610 8.180 -0.565 1.00 . A A . 11 VAL CA 1 1
4 713 1 1 11 VAL CB C 5.810 9.534 -1.272 1.00 . A A . 11 VAL CB 1 1
4 714 1 1 11 VAL CG1 C 6.350 9.327 -2.678 1.00 . A A . 11 VAL CG1 1 1
4 715 1 1 11 VAL CG2 C 4.506 10.316 -1.302 1.00 . A A . 11 VAL CG2 1 1
4 716 1 1 11 VAL H H 7.048 6.875 -1.406 1.00 . A A . 11 VAL H 1 1
4 717 1 1 11 VAL HA H 5.361 8.370 0.469 1.00 . A A . 11 VAL HA 1 1
4 718 1 1 11 VAL HB H 6.536 10.105 -0.712 1.00 . A A . 11 VAL HB 1 1
4 719 1 1 11 VAL HG11 H 5.597 8.846 -3.285 1.00 . A A . 11 VAL HG11 1 1
4 720 1 1 11 VAL HG12 H 6.605 10.284 -3.110 1.00 . A A . 11 VAL HG12 1 1
4 721 1 1 11 VAL HG13 H 7.231 8.703 -2.638 1.00 . A A . 11 VAL HG13 1 1
4 722 1 1 11 VAL HG21 H 4.720 11.366 -1.435 1.00 . A A . 11 VAL HG21 1 1
4 723 1 1 11 VAL HG22 H 3.894 9.967 -2.121 1.00 . A A . 11 VAL HG22 1 1
4 724 1 1 11 VAL HG23 H 3.977 10.172 -0.372 1.00 . A A . 11 VAL HG23 1 1
4 725 1 1 11 VAL N N 6.828 7.379 -0.595 1.00 . A A . 11 VAL N 1 1
4 726 1 1 11 VAL O O 4.617 6.802 -2.263 1.00 . A A . 11 VAL O 1 1
4 727 1 1 12 CYS C C 0.888 7.822 -1.128 1.00 . A A . 12 CYS C 1 1
4 728 1 1 12 CYS CA C 2.084 6.875 -1.140 1.00 . A A . 12 CYS CA 1 1
4 729 1 1 12 CYS CB C 1.766 5.622 -0.322 1.00 . A A . 12 CYS CB 1 1
4 730 1 1 12 CYS H H 3.203 8.058 0.212 1.00 . A A . 12 CYS H 1 1
4 731 1 1 12 CYS HA H 2.289 6.586 -2.160 1.00 . A A . 12 CYS HA 1 1
4 732 1 1 12 CYS HB2 H 0.712 5.616 -0.083 1.00 . A A . 12 CYS HB2 1 1
4 733 1 1 12 CYS HB3 H 2.001 4.748 -0.911 1.00 . A A . 12 CYS HB3 1 1
4 734 1 1 12 CYS N N 3.274 7.534 -0.614 1.00 . A A . 12 CYS N 1 1
4 735 1 1 12 CYS O O 0.525 8.366 -0.085 1.00 . A A . 12 CYS O 1 1
4 736 1 1 12 CYS SG S 2.688 5.502 1.244 1.00 . A A . 12 CYS SG 1 1
5 737 1 1 1 ALA C C 2.738 1.414 -1.566 1.00 . A A . 1 ALA C 1 1
5 738 1 1 1 ALA CA C 2.065 0.066 -1.329 1.00 . A A . 1 ALA CA 1 1
5 739 1 1 1 ALA CB C 0.977 -0.172 -2.366 1.00 . A A . 1 ALA CB 1 1
5 740 1 1 1 ALA H1 H 1.670 0.722 0.644 1.00 . A A . 1 ALA H1 1 1
5 741 1 1 1 ALA HA H 2.803 -0.717 -1.432 1.00 . A A . 1 ALA HA 1 1
5 742 1 1 1 ALA HB1 H 0.046 0.247 -2.011 1.00 . A A . 1 ALA HB1 1 1
5 743 1 1 1 ALA HB2 H 1.255 0.303 -3.295 1.00 . A A . 1 ALA HB2 1 1
5 744 1 1 1 ALA HB3 H 0.857 -1.233 -2.524 1.00 . A A . 1 ALA HB3 1 1
5 745 1 1 1 ALA N N 1.508 -0.013 0.016 1.00 . A A . 1 ALA N 1 1
5 746 1 1 1 ALA O O 2.214 2.263 -2.287 1.00 . A A . 1 ALA O 1 1
5 747 1 1 2 CYS C C 5.777 2.692 -2.113 1.00 . A A . 2 CYS C 1 1
5 748 1 1 2 CYS CA C 4.648 2.848 -1.098 1.00 . A A . 2 CYS CA 1 1
5 749 1 1 2 CYS CB C 5.219 3.284 0.253 1.00 . A A . 2 CYS CB 1 1
5 750 1 1 2 CYS H H 4.270 0.889 -0.393 1.00 . A A . 2 CYS H 1 1
5 751 1 1 2 CYS HA H 3.965 3.605 -1.452 1.00 . A A . 2 CYS HA 1 1
5 752 1 1 2 CYS HB2 H 5.872 2.509 0.626 1.00 . A A . 2 CYS HB2 1 1
5 753 1 1 2 CYS HB3 H 5.786 4.193 0.119 1.00 . A A . 2 CYS HB3 1 1
5 754 1 1 2 CYS N N 3.903 1.604 -0.955 1.00 . A A . 2 CYS N 1 1
5 755 1 1 2 CYS O O 6.057 1.589 -2.582 1.00 . A A . 2 CYS O 1 1
5 756 1 1 2 CYS SG S 3.955 3.600 1.526 1.00 . A A . 2 CYS SG 1 1
5 757 1 1 3 PHE C C 8.516 4.910 -3.108 1.00 . A A . 3 PHE C 1 1
5 758 1 1 3 PHE CA C 7.521 3.793 -3.406 1.00 . A A . 3 PHE CA 1 1
5 759 1 1 3 PHE CB C 6.983 3.941 -4.831 1.00 . A A . 3 PHE CB 1 1
5 760 1 1 3 PHE CD1 C 4.524 3.442 -4.836 1.00 . A A . 3 PHE CD1 1 1
5 761 1 1 3 PHE CD2 C 5.219 5.718 -4.994 1.00 . A A . 3 PHE CD2 1 1
5 762 1 1 3 PHE CE1 C 3.201 3.839 -4.887 1.00 . A A . 3 PHE CE1 1 1
5 763 1 1 3 PHE CE2 C 3.898 6.120 -5.045 1.00 . A A . 3 PHE CE2 1 1
5 764 1 1 3 PHE CG C 5.547 4.375 -4.888 1.00 . A A . 3 PHE CG 1 1
5 765 1 1 3 PHE CZ C 2.888 5.180 -4.993 1.00 . A A . 3 PHE CZ 1 1
5 766 1 1 3 PHE H H 6.153 4.655 -2.039 1.00 . A A . 3 PHE H 1 1
5 767 1 1 3 PHE HA H 8.027 2.844 -3.318 1.00 . A A . 3 PHE HA 1 1
5 768 1 1 3 PHE HB2 H 7.573 4.677 -5.356 1.00 . A A . 3 PHE HB2 1 1
5 769 1 1 3 PHE HB3 H 7.064 2.991 -5.339 1.00 . A A . 3 PHE HB3 1 1
5 770 1 1 3 PHE HD1 H 4.768 2.392 -4.753 1.00 . A A . 3 PHE HD1 1 1
5 771 1 1 3 PHE HD2 H 6.008 6.454 -5.036 1.00 . A A . 3 PHE HD2 1 1
5 772 1 1 3 PHE HE1 H 2.414 3.101 -4.846 1.00 . A A . 3 PHE HE1 1 1
5 773 1 1 3 PHE HE2 H 3.656 7.170 -5.128 1.00 . A A . 3 PHE HE2 1 1
5 774 1 1 3 PHE HZ H 1.855 5.492 -5.033 1.00 . A A . 3 PHE HZ 1 1
5 775 1 1 3 PHE N N 6.423 3.805 -2.447 1.00 . A A . 3 PHE N 1 1
5 776 1 1 3 PHE O O 8.128 6.024 -2.751 1.00 . A A . 3 PHE O 1 1
5 777 1 1 4 LEU C C 10.853 6.673 -4.068 1.00 . A A . 4 LEU C 1 1
5 778 1 1 4 LEU CA C 10.853 5.583 -3.001 1.00 . A A . 4 LEU CA 1 1
5 779 1 1 4 LEU CB C 12.218 4.893 -2.961 1.00 . A A . 4 LEU CB 1 1
5 780 1 1 4 LEU CD1 C 13.598 6.869 -2.272 1.00 . A A . 4 LEU CD1 1 1
5 781 1 1 4 LEU CD2 C 14.684 4.924 -3.410 1.00 . A A . 4 LEU CD2 1 1
5 782 1 1 4 LEU CG C 13.423 5.769 -3.308 1.00 . A A . 4 LEU CG 1 1
5 783 1 1 4 LEU H H 10.048 3.702 -3.541 1.00 . A A . 4 LEU H 1 1
5 784 1 1 4 LEU HA H 10.660 6.036 -2.040 1.00 . A A . 4 LEU HA 1 1
5 785 1 1 4 LEU HB2 H 12.365 4.509 -1.964 1.00 . A A . 4 LEU HB2 1 1
5 786 1 1 4 LEU HB3 H 12.193 4.071 -3.662 1.00 . A A . 4 LEU HB3 1 1
5 787 1 1 4 LEU HD11 H 14.650 7.072 -2.137 1.00 . A A . 4 LEU HD11 1 1
5 788 1 1 4 LEU HD12 H 13.169 6.552 -1.334 1.00 . A A . 4 LEU HD12 1 1
5 789 1 1 4 LEU HD13 H 13.099 7.765 -2.612 1.00 . A A . 4 LEU HD13 1 1
5 790 1 1 4 LEU HD21 H 15.545 5.534 -3.179 1.00 . A A . 4 LEU HD21 1 1
5 791 1 1 4 LEU HD22 H 14.777 4.536 -4.414 1.00 . A A . 4 LEU HD22 1 1
5 792 1 1 4 LEU HD23 H 14.626 4.104 -2.709 1.00 . A A . 4 LEU HD23 1 1
5 793 1 1 4 LEU HG H 13.255 6.238 -4.267 1.00 . A A . 4 LEU HG 1 1
5 794 1 1 4 LEU N N 9.801 4.605 -3.255 1.00 . A A . 4 LEU N 1 1
5 795 1 1 4 LEU O O 10.888 6.386 -5.265 1.00 . A A . 4 LEU O 1 1
5 796 1 1 5 THR C C 12.038 9.939 -4.334 1.00 . A A . 5 THR C 1 1
5 797 1 1 5 THR CA C 10.810 9.060 -4.542 1.00 . A A . 5 THR CA 1 1
5 798 1 1 5 THR CB C 9.543 9.918 -4.368 1.00 . A A . 5 THR CB 1 1
5 799 1 1 5 THR CG2 C 8.398 9.368 -5.205 1.00 . A A . 5 THR CG2 1 1
5 800 1 1 5 THR H H 10.787 8.091 -2.660 1.00 . A A . 5 THR H 1 1
5 801 1 1 5 THR HA H 10.822 8.674 -5.551 1.00 . A A . 5 THR HA 1 1
5 802 1 1 5 THR HB H 9.760 10.924 -4.698 1.00 . A A . 5 THR HB 1 1
5 803 1 1 5 THR HG1 H 9.826 10.422 -2.483 1.00 . A A . 5 THR HG1 1 1
5 804 1 1 5 THR HG21 H 7.664 10.144 -5.366 1.00 . A A . 5 THR HG21 1 1
5 805 1 1 5 THR HG22 H 7.938 8.540 -4.686 1.00 . A A . 5 THR HG22 1 1
5 806 1 1 5 THR HG23 H 8.778 9.030 -6.157 1.00 . A A . 5 THR HG23 1 1
5 807 1 1 5 THR N N 10.814 7.927 -3.626 1.00 . A A . 5 THR N 1 1
5 808 1 1 5 THR O O 12.539 10.068 -3.217 1.00 . A A . 5 THR O 1 1
5 809 1 1 5 THR OG1 O 9.159 9.952 -2.989 1.00 . A A . 5 THR OG1 1 1
5 810 1 1 6 ARG C C 13.365 12.705 -4.611 1.00 . A A . 6 ARG C 1 1
5 811 1 1 6 ARG CA C 13.688 11.411 -5.351 1.00 . A A . 6 ARG CA 1 1
5 812 1 1 6 ARG CB C 14.192 11.728 -6.760 1.00 . A A . 6 ARG CB 1 1
5 813 1 1 6 ARG CD C 13.587 9.747 -8.183 1.00 . A A . 6 ARG CD 1 1
5 814 1 1 6 ARG CG C 14.714 10.513 -7.509 1.00 . A A . 6 ARG CG 1 1
5 815 1 1 6 ARG CZ C 13.861 7.409 -7.473 1.00 . A A . 6 ARG CZ 1 1
5 816 1 1 6 ARG H H 12.075 10.402 -6.279 1.00 . A A . 6 ARG H 1 1
5 817 1 1 6 ARG HA H 14.461 10.885 -4.812 1.00 . A A . 6 ARG HA 1 1
5 818 1 1 6 ARG HB2 H 13.381 12.155 -7.333 1.00 . A A . 6 ARG HB2 1 1
5 819 1 1 6 ARG HB3 H 14.991 12.451 -6.689 1.00 . A A . 6 ARG HB3 1 1
5 820 1 1 6 ARG HD2 H 12.731 10.398 -8.274 1.00 . A A . 6 ARG HD2 1 1
5 821 1 1 6 ARG HD3 H 13.914 9.443 -9.166 1.00 . A A . 6 ARG HD3 1 1
5 822 1 1 6 ARG HE H 12.410 8.627 -6.848 1.00 . A A . 6 ARG HE 1 1
5 823 1 1 6 ARG HG2 H 15.414 10.840 -8.264 1.00 . A A . 6 ARG HG2 1 1
5 824 1 1 6 ARG HG3 H 15.215 9.859 -6.810 1.00 . A A . 6 ARG HG3 1 1
5 825 1 1 6 ARG HH11 H 15.248 8.067 -8.785 1.00 . A A . 6 ARG HH11 1 1
5 826 1 1 6 ARG HH12 H 15.430 6.421 -8.277 1.00 . A A . 6 ARG HH12 1 1
5 827 1 1 6 ARG HH21 H 12.639 6.461 -6.171 1.00 . A A . 6 ARG HH21 1 1
5 828 1 1 6 ARG HH22 H 13.945 5.508 -6.791 1.00 . A A . 6 ARG HH22 1 1
5 829 1 1 6 ARG N N 12.518 10.543 -5.416 1.00 . A A . 6 ARG N 1 1
5 830 1 1 6 ARG NE N 13.201 8.561 -7.423 1.00 . A A . 6 ARG NE 1 1
5 831 1 1 6 ARG NH1 N 14.934 7.289 -8.242 1.00 . A A . 6 ARG NH1 1 1
5 832 1 1 6 ARG NH2 N 13.448 6.374 -6.752 1.00 . A A . 6 ARG NH2 1 1
5 833 1 1 6 ARG O O 14.256 13.502 -4.313 1.00 . A A . 6 ARG O 1 1
5 834 1 1 7 LEU C C 12.071 14.067 -2.149 1.00 . A A . 7 LEU C 1 1
5 835 1 1 7 LEU CA C 11.644 14.108 -3.613 1.00 . A A . 7 LEU CA 1 1
5 836 1 1 7 LEU CB C 10.124 14.249 -3.709 1.00 . A A . 7 LEU CB 1 1
5 837 1 1 7 LEU CD1 C 9.951 16.477 -2.574 1.00 . A A . 7 LEU CD1 1 1
5 838 1 1 7 LEU CD2 C 10.124 16.357 -5.066 1.00 . A A . 7 LEU CD2 1 1
5 839 1 1 7 LEU CG C 9.587 15.677 -3.815 1.00 . A A . 7 LEU CG 1 1
5 840 1 1 7 LEU H H 11.421 12.239 -4.581 1.00 . A A . 7 LEU H 1 1
5 841 1 1 7 LEU HA H 12.107 14.961 -4.087 1.00 . A A . 7 LEU HA 1 1
5 842 1 1 7 LEU HB2 H 9.796 13.707 -4.583 1.00 . A A . 7 LEU HB2 1 1
5 843 1 1 7 LEU HB3 H 9.694 13.798 -2.826 1.00 . A A . 7 LEU HB3 1 1
5 844 1 1 7 LEU HD11 H 9.354 17.376 -2.537 1.00 . A A . 7 LEU HD11 1 1
5 845 1 1 7 LEU HD12 H 10.998 16.741 -2.610 1.00 . A A . 7 LEU HD12 1 1
5 846 1 1 7 LEU HD13 H 9.761 15.881 -1.693 1.00 . A A . 7 LEU HD13 1 1
5 847 1 1 7 LEU HD21 H 10.712 15.651 -5.634 1.00 . A A . 7 LEU HD21 1 1
5 848 1 1 7 LEU HD22 H 10.743 17.195 -4.783 1.00 . A A . 7 LEU HD22 1 1
5 849 1 1 7 LEU HD23 H 9.298 16.705 -5.668 1.00 . A A . 7 LEU HD23 1 1
5 850 1 1 7 LEU HG H 8.509 15.645 -3.886 1.00 . A A . 7 LEU HG 1 1
5 851 1 1 7 LEU N N 12.085 12.910 -4.318 1.00 . A A . 7 LEU N 1 1
5 852 1 1 7 LEU O O 12.279 15.106 -1.524 1.00 . A A . 7 LEU O 1 1
5 853 1 1 8 GLY C C 12.768 11.252 0.174 1.00 . A A . 8 GLY C 1 1
5 854 1 1 8 GLY CA C 12.605 12.705 -0.224 1.00 . A A . 8 GLY CA 1 1
5 855 1 1 8 GLY H H 12.021 12.066 -2.156 1.00 . A A . 8 GLY H 1 1
5 856 1 1 8 GLY HA2 H 13.544 13.216 -0.075 1.00 . A A . 8 GLY HA2 1 1
5 857 1 1 8 GLY HA3 H 11.856 13.158 0.409 1.00 . A A . 8 GLY HA3 1 1
5 858 1 1 8 GLY N N 12.201 12.859 -1.609 1.00 . A A . 8 GLY N 1 1
5 859 1 1 8 GLY O O 13.883 10.784 0.405 1.00 . A A . 8 GLY O 1 1
5 860 1 1 9 THR C C 10.402 8.416 0.186 1.00 . A A . 9 THR C 1 1
5 861 1 1 9 THR CA C 11.675 9.126 0.633 1.00 . A A . 9 THR CA 1 1
5 862 1 1 9 THR CB C 11.838 8.953 2.155 1.00 . A A . 9 THR CB 1 1
5 863 1 1 9 THR CG2 C 13.088 8.149 2.478 1.00 . A A . 9 THR CG2 1 1
5 864 1 1 9 THR H H 10.793 10.963 0.061 1.00 . A A . 9 THR H 1 1
5 865 1 1 9 THR HA H 12.522 8.664 0.147 1.00 . A A . 9 THR HA 1 1
5 866 1 1 9 THR HB H 10.977 8.422 2.536 1.00 . A A . 9 THR HB 1 1
5 867 1 1 9 THR HG1 H 11.952 10.121 3.741 1.00 . A A . 9 THR HG1 1 1
5 868 1 1 9 THR HG21 H 12.846 7.097 2.494 1.00 . A A . 9 THR HG21 1 1
5 869 1 1 9 THR HG22 H 13.467 8.446 3.445 1.00 . A A . 9 THR HG22 1 1
5 870 1 1 9 THR HG23 H 13.839 8.334 1.725 1.00 . A A . 9 THR HG23 1 1
5 871 1 1 9 THR N N 11.652 10.533 0.257 1.00 . A A . 9 THR N 1 1
5 872 1 1 9 THR O O 9.599 8.974 -0.562 1.00 . A A . 9 THR O 1 1
5 873 1 1 9 THR OG1 O 11.912 10.236 2.788 1.00 . A A . 9 THR OG1 1 1
5 874 1 1 10 TYR C C 7.773 7.220 0.457 1.00 . A A . 10 TYR C 1 1
5 875 1 1 10 TYR CA C 9.048 6.397 0.296 1.00 . A A . 10 TYR CA 1 1
5 876 1 1 10 TYR CB C 8.970 5.140 1.164 1.00 . A A . 10 TYR CB 1 1
5 877 1 1 10 TYR CD1 C 8.595 2.709 0.591 1.00 . A A . 10 TYR CD1 1 1
5 878 1 1 10 TYR CD2 C 10.428 3.836 -0.434 1.00 . A A . 10 TYR CD2 1 1
5 879 1 1 10 TYR CE1 C 8.927 1.548 -0.079 1.00 . A A . 10 TYR CE1 1 1
5 880 1 1 10 TYR CE2 C 10.767 2.680 -1.110 1.00 . A A . 10 TYR CE2 1 1
5 881 1 1 10 TYR CG C 9.337 3.872 0.427 1.00 . A A . 10 TYR CG 1 1
5 882 1 1 10 TYR CZ C 10.014 1.539 -0.929 1.00 . A A . 10 TYR CZ 1 1
5 883 1 1 10 TYR H H 10.899 6.793 1.243 1.00 . A A . 10 TYR H 1 1
5 884 1 1 10 TYR HA H 9.145 6.103 -0.739 1.00 . A A . 10 TYR HA 1 1
5 885 1 1 10 TYR HB2 H 9.645 5.245 1.999 1.00 . A A . 10 TYR HB2 1 1
5 886 1 1 10 TYR HB3 H 7.961 5.028 1.534 1.00 . A A . 10 TYR HB3 1 1
5 887 1 1 10 TYR HD1 H 7.744 2.720 1.258 1.00 . A A . 10 TYR HD1 1 1
5 888 1 1 10 TYR HD2 H 11.016 4.732 -0.573 1.00 . A A . 10 TYR HD2 1 1
5 889 1 1 10 TYR HE1 H 8.338 0.654 0.061 1.00 . A A . 10 TYR HE1 1 1
5 890 1 1 10 TYR HE2 H 11.618 2.672 -1.775 1.00 . A A . 10 TYR HE2 1 1
5 891 1 1 10 TYR HH H 9.887 -0.359 -1.206 1.00 . A A . 10 TYR HH 1 1
5 892 1 1 10 TYR N N 10.223 7.184 0.650 1.00 . A A . 10 TYR N 1 1
5 893 1 1 10 TYR O O 7.536 7.820 1.505 1.00 . A A . 10 TYR O 1 1
5 894 1 1 10 TYR OH O 10.349 0.385 -1.599 1.00 . A A . 10 TYR OH 1 1
5 895 1 1 11 VAL C C 4.577 7.195 -1.219 1.00 . A A . 11 VAL C 1 1
5 896 1 1 11 VAL CA C 5.702 7.988 -0.566 1.00 . A A . 11 VAL CA 1 1
5 897 1 1 11 VAL CB C 5.843 9.344 -1.283 1.00 . A A . 11 VAL CB 1 1
5 898 1 1 11 VAL CG1 C 6.394 9.150 -2.688 1.00 . A A . 11 VAL CG1 1 1
5 899 1 1 11 VAL CG2 C 4.506 10.068 -1.321 1.00 . A A . 11 VAL CG2 1 1
5 900 1 1 11 VAL H H 7.198 6.743 -1.398 1.00 . A A . 11 VAL H 1 1
5 901 1 1 11 VAL HA H 5.445 8.176 0.466 1.00 . A A . 11 VAL HA 1 1
5 902 1 1 11 VAL HB H 6.542 9.952 -0.727 1.00 . A A . 11 VAL HB 1 1
5 903 1 1 11 VAL HG11 H 6.582 10.115 -3.136 1.00 . A A . 11 VAL HG11 1 1
5 904 1 1 11 VAL HG12 H 7.315 8.588 -2.640 1.00 . A A . 11 VAL HG12 1 1
5 905 1 1 11 VAL HG13 H 5.674 8.611 -3.285 1.00 . A A . 11 VAL HG13 1 1
5 906 1 1 11 VAL HG21 H 4.674 11.127 -1.449 1.00 . A A . 11 VAL HG21 1 1
5 907 1 1 11 VAL HG22 H 3.917 9.695 -2.147 1.00 . A A . 11 VAL HG22 1 1
5 908 1 1 11 VAL HG23 H 3.977 9.896 -0.396 1.00 . A A . 11 VAL HG23 1 1
5 909 1 1 11 VAL N N 6.954 7.242 -0.590 1.00 . A A . 11 VAL N 1 1
5 910 1 1 11 VAL O O 4.772 6.557 -2.254 1.00 . A A . 11 VAL O 1 1
5 911 1 1 12 CYS C C 1.001 7.416 -1.123 1.00 . A A . 12 CYS C 1 1
5 912 1 1 12 CYS CA C 2.239 6.524 -1.130 1.00 . A A . 12 CYS CA 1 1
5 913 1 1 12 CYS CB C 1.977 5.263 -0.305 1.00 . A A . 12 CYS CB 1 1
5 914 1 1 12 CYS H H 3.304 7.765 0.214 1.00 . A A . 12 CYS H 1 1
5 915 1 1 12 CYS HA H 2.455 6.239 -2.148 1.00 . A A . 12 CYS HA 1 1
5 916 1 1 12 CYS HB2 H 0.925 5.210 -0.066 1.00 . A A . 12 CYS HB2 1 1
5 917 1 1 12 CYS HB3 H 2.252 4.397 -0.888 1.00 . A A . 12 CYS HB3 1 1
5 918 1 1 12 CYS N N 3.397 7.239 -0.609 1.00 . A A . 12 CYS N 1 1
5 919 1 1 12 CYS O O 1.107 8.642 -1.074 1.00 . A A . 12 CYS O 1 1
5 920 1 1 12 CYS SG S 2.903 5.195 1.263 1.00 . A A . 12 CYS SG 1 1
6 921 1 1 1 ALA C C 2.973 1.189 -1.284 1.00 . A A . 1 ALA C 1 1
6 922 1 1 1 ALA CA C 2.350 -0.175 -1.006 1.00 . A A . 1 ALA CA 1 1
6 923 1 1 1 ALA CB C 2.782 -1.180 -2.063 1.00 . A A . 1 ALA CB 1 1
6 924 1 1 1 ALA H1 H 0.440 0.604 -1.477 1.00 . A A . 1 ALA H1 1 1
6 925 1 1 1 ALA HA H 2.697 -0.528 -0.045 1.00 . A A . 1 ALA HA 1 1
6 926 1 1 1 ALA HB1 H 3.852 -1.321 -2.009 1.00 . A A . 1 ALA HB1 1 1
6 927 1 1 1 ALA HB2 H 2.285 -2.123 -1.887 1.00 . A A . 1 ALA HB2 1 1
6 928 1 1 1 ALA HB3 H 2.516 -0.810 -3.042 1.00 . A A . 1 ALA HB3 1 1
6 929 1 1 1 ALA N N 0.896 -0.088 -0.955 1.00 . A A . 1 ALA N 1 1
6 930 1 1 1 ALA O O 2.480 1.949 -2.119 1.00 . A A . 1 ALA O 1 1
6 931 1 1 2 CYS C C 5.823 2.663 -1.828 1.00 . A A . 2 CYS C 1 1
6 932 1 1 2 CYS CA C 4.747 2.767 -0.751 1.00 . A A . 2 CYS CA 1 1
6 933 1 1 2 CYS CB C 5.376 3.211 0.572 1.00 . A A . 2 CYS CB 1 1
6 934 1 1 2 CYS H H 4.403 0.847 0.071 1.00 . A A . 2 CYS H 1 1
6 935 1 1 2 CYS HA H 4.018 3.501 -1.057 1.00 . A A . 2 CYS HA 1 1
6 936 1 1 2 CYS HB2 H 5.938 2.388 0.989 1.00 . A A . 2 CYS HB2 1 1
6 937 1 1 2 CYS HB3 H 6.045 4.038 0.384 1.00 . A A . 2 CYS HB3 1 1
6 938 1 1 2 CYS N N 4.058 1.494 -0.580 1.00 . A A . 2 CYS N 1 1
6 939 1 1 2 CYS O O 6.138 1.572 -2.303 1.00 . A A . 2 CYS O 1 1
6 940 1 1 2 CYS SG S 4.169 3.747 1.826 1.00 . A A . 2 CYS SG 1 1
6 941 1 1 3 PHE C C 8.420 4.965 -2.950 1.00 . A A . 3 PHE C 1 1
6 942 1 1 3 PHE CA C 7.423 3.845 -3.231 1.00 . A A . 3 PHE CA 1 1
6 943 1 1 3 PHE CB C 6.801 4.035 -4.615 1.00 . A A . 3 PHE CB 1 1
6 944 1 1 3 PHE CD1 C 4.373 3.423 -4.450 1.00 . A A . 3 PHE CD1 1 1
6 945 1 1 3 PHE CD2 C 4.949 5.728 -4.655 1.00 . A A . 3 PHE CD2 1 1
6 946 1 1 3 PHE CE1 C 3.032 3.758 -4.410 1.00 . A A . 3 PHE CE1 1 1
6 947 1 1 3 PHE CE2 C 3.610 6.069 -4.615 1.00 . A A . 3 PHE CE2 1 1
6 948 1 1 3 PHE CG C 5.345 4.403 -4.572 1.00 . A A . 3 PHE CG 1 1
6 949 1 1 3 PHE CZ C 2.651 5.082 -4.494 1.00 . A A . 3 PHE CZ 1 1
6 950 1 1 3 PHE H H 6.090 4.644 -1.793 1.00 . A A . 3 PHE H 1 1
6 951 1 1 3 PHE HA H 7.945 2.901 -3.207 1.00 . A A . 3 PHE HA 1 1
6 952 1 1 3 PHE HB2 H 7.326 4.823 -5.133 1.00 . A A . 3 PHE HB2 1 1
6 953 1 1 3 PHE HB3 H 6.896 3.116 -5.174 1.00 . A A . 3 PHE HB3 1 1
6 954 1 1 3 PHE HD1 H 4.671 2.386 -4.384 1.00 . A A . 3 PHE HD1 1 1
6 955 1 1 3 PHE HD2 H 5.698 6.500 -4.752 1.00 . A A . 3 PHE HD2 1 1
6 956 1 1 3 PHE HE1 H 2.285 2.984 -4.314 1.00 . A A . 3 PHE HE1 1 1
6 957 1 1 3 PHE HE2 H 3.314 7.105 -4.682 1.00 . A A . 3 PHE HE2 1 1
6 958 1 1 3 PHE HZ H 1.604 5.346 -4.462 1.00 . A A . 3 PHE HZ 1 1
6 959 1 1 3 PHE N N 6.384 3.806 -2.209 1.00 . A A . 3 PHE N 1 1
6 960 1 1 3 PHE O O 8.065 6.001 -2.385 1.00 . A A . 3 PHE O 1 1
6 961 1 1 4 LEU C C 10.674 6.819 -4.221 1.00 . A A . 4 LEU C 1 1
6 962 1 1 4 LEU CA C 10.719 5.743 -3.141 1.00 . A A . 4 LEU CA 1 1
6 963 1 1 4 LEU CB C 12.092 5.067 -3.135 1.00 . A A . 4 LEU CB 1 1
6 964 1 1 4 LEU CD1 C 13.525 7.012 -2.467 1.00 . A A . 4 LEU CD1 1 1
6 965 1 1 4 LEU CD2 C 14.524 5.106 -3.742 1.00 . A A . 4 LEU CD2 1 1
6 966 1 1 4 LEU CG C 13.276 5.951 -3.527 1.00 . A A . 4 LEU CG 1 1
6 967 1 1 4 LEU H H 9.892 3.908 -3.793 1.00 . A A . 4 LEU H 1 1
6 968 1 1 4 LEU HA H 10.551 6.206 -2.180 1.00 . A A . 4 LEU HA 1 1
6 969 1 1 4 LEU HB2 H 12.273 4.695 -2.138 1.00 . A A . 4 LEU HB2 1 1
6 970 1 1 4 LEU HB3 H 12.053 4.237 -3.826 1.00 . A A . 4 LEU HB3 1 1
6 971 1 1 4 LEU HD11 H 13.760 7.951 -2.946 1.00 . A A . 4 LEU HD11 1 1
6 972 1 1 4 LEU HD12 H 14.352 6.710 -1.842 1.00 . A A . 4 LEU HD12 1 1
6 973 1 1 4 LEU HD13 H 12.639 7.129 -1.860 1.00 . A A . 4 LEU HD13 1 1
6 974 1 1 4 LEU HD21 H 15.401 5.710 -3.564 1.00 . A A . 4 LEU HD21 1 1
6 975 1 1 4 LEU HD22 H 14.539 4.739 -4.758 1.00 . A A . 4 LEU HD22 1 1
6 976 1 1 4 LEU HD23 H 14.515 4.271 -3.057 1.00 . A A . 4 LEU HD23 1 1
6 977 1 1 4 LEU HG H 13.049 6.455 -4.457 1.00 . A A . 4 LEU HG 1 1
6 978 1 1 4 LEU N N 9.669 4.751 -3.349 1.00 . A A . 4 LEU N 1 1
6 979 1 1 4 LEU O O 10.763 6.522 -5.413 1.00 . A A . 4 LEU O 1 1
6 980 1 1 5 THR C C 11.766 10.010 -4.678 1.00 . A A . 5 THR C 1 1
6 981 1 1 5 THR CA C 10.480 9.192 -4.726 1.00 . A A . 5 THR CA 1 1
6 982 1 1 5 THR CB C 9.286 10.115 -4.421 1.00 . A A . 5 THR CB 1 1
6 983 1 1 5 THR CG2 C 8.137 9.848 -5.382 1.00 . A A . 5 THR CG2 1 1
6 984 1 1 5 THR H H 10.470 8.244 -2.833 1.00 . A A . 5 THR H 1 1
6 985 1 1 5 THR HA H 10.356 8.793 -5.722 1.00 . A A . 5 THR HA 1 1
6 986 1 1 5 THR HB H 9.604 11.141 -4.540 1.00 . A A . 5 THR HB 1 1
6 987 1 1 5 THR HG1 H 8.453 10.728 -2.742 1.00 . A A . 5 THR HG1 1 1
6 988 1 1 5 THR HG21 H 8.514 9.814 -6.394 1.00 . A A . 5 THR HG21 1 1
6 989 1 1 5 THR HG22 H 7.406 10.638 -5.297 1.00 . A A . 5 THR HG22 1 1
6 990 1 1 5 THR HG23 H 7.676 8.903 -5.138 1.00 . A A . 5 THR HG23 1 1
6 991 1 1 5 THR N N 10.536 8.071 -3.796 1.00 . A A . 5 THR N 1 1
6 992 1 1 5 THR O O 12.519 9.944 -3.707 1.00 . A A . 5 THR O 1 1
6 993 1 1 5 THR OG1 O 8.843 9.916 -3.074 1.00 . A A . 5 THR OG1 1 1
6 994 1 1 6 ARG C C 13.162 12.726 -4.768 1.00 . A A . 6 ARG C 1 1
6 995 1 1 6 ARG CA C 13.205 11.613 -5.811 1.00 . A A . 6 ARG CA 1 1
6 996 1 1 6 ARG CB C 13.342 12.215 -7.210 1.00 . A A . 6 ARG CB 1 1
6 997 1 1 6 ARG CD C 12.655 10.244 -8.610 1.00 . A A . 6 ARG CD 1 1
6 998 1 1 6 ARG CG C 13.777 11.211 -8.265 1.00 . A A . 6 ARG CG 1 1
6 999 1 1 6 ARG CZ C 13.630 8.044 -8.108 1.00 . A A . 6 ARG CZ 1 1
6 1000 1 1 6 ARG H H 11.371 10.792 -6.476 1.00 . A A . 6 ARG H 1 1
6 1001 1 1 6 ARG HA H 14.060 10.984 -5.613 1.00 . A A . 6 ARG HA 1 1
6 1002 1 1 6 ARG HB2 H 12.389 12.627 -7.508 1.00 . A A . 6 ARG HB2 1 1
6 1003 1 1 6 ARG HB3 H 14.073 13.009 -7.177 1.00 . A A . 6 ARG HB3 1 1
6 1004 1 1 6 ARG HD2 H 11.710 10.719 -8.393 1.00 . A A . 6 ARG HD2 1 1
6 1005 1 1 6 ARG HD3 H 12.709 10.013 -9.663 1.00 . A A . 6 ARG HD3 1 1
6 1006 1 1 6 ARG HE H 12.124 8.880 -7.102 1.00 . A A . 6 ARG HE 1 1
6 1007 1 1 6 ARG HG2 H 14.065 11.745 -9.159 1.00 . A A . 6 ARG HG2 1 1
6 1008 1 1 6 ARG HG3 H 14.621 10.652 -7.890 1.00 . A A . 6 ARG HG3 1 1
6 1009 1 1 6 ARG HH11 H 14.474 9.012 -9.667 1.00 . A A . 6 ARG HH11 1 1
6 1010 1 1 6 ARG HH12 H 15.152 7.460 -9.302 1.00 . A A . 6 ARG HH12 1 1
6 1011 1 1 6 ARG HH21 H 13.007 6.835 -6.612 1.00 . A A . 6 ARG HH21 1 1
6 1012 1 1 6 ARG HH22 H 14.316 6.222 -7.565 1.00 . A A . 6 ARG HH22 1 1
6 1013 1 1 6 ARG N N 12.010 10.782 -5.732 1.00 . A A . 6 ARG N 1 1
6 1014 1 1 6 ARG NE N 12.749 9.003 -7.846 1.00 . A A . 6 ARG NE 1 1
6 1015 1 1 6 ARG NH1 N 14.489 8.183 -9.108 1.00 . A A . 6 ARG NH1 1 1
6 1016 1 1 6 ARG NH2 N 13.653 6.943 -7.367 1.00 . A A . 6 ARG NH2 1 1
6 1017 1 1 6 ARG O O 14.150 13.430 -4.554 1.00 . A A . 6 ARG O 1 1
6 1018 1 1 7 LEU C C 12.661 13.586 -1.859 1.00 . A A . 7 LEU C 1 1
6 1019 1 1 7 LEU CA C 11.838 13.909 -3.102 1.00 . A A . 7 LEU CA 1 1
6 1020 1 1 7 LEU CB C 10.361 14.043 -2.730 1.00 . A A . 7 LEU CB 1 1
6 1021 1 1 7 LEU CD1 C 9.606 15.394 -4.702 1.00 . A A . 7 LEU CD1 1 1
6 1022 1 1 7 LEU CD2 C 8.271 15.420 -2.587 1.00 . A A . 7 LEU CD2 1 1
6 1023 1 1 7 LEU CG C 9.667 15.328 -3.183 1.00 . A A . 7 LEU CG 1 1
6 1024 1 1 7 LEU H H 11.259 12.291 -4.336 1.00 . A A . 7 LEU H 1 1
6 1025 1 1 7 LEU HA H 12.183 14.846 -3.514 1.00 . A A . 7 LEU HA 1 1
6 1026 1 1 7 LEU HB2 H 9.833 13.210 -3.168 1.00 . A A . 7 LEU HB2 1 1
6 1027 1 1 7 LEU HB3 H 10.286 13.988 -1.653 1.00 . A A . 7 LEU HB3 1 1
6 1028 1 1 7 LEU HD11 H 8.910 16.163 -5.000 1.00 . A A . 7 LEU HD11 1 1
6 1029 1 1 7 LEU HD12 H 9.278 14.441 -5.090 1.00 . A A . 7 LEU HD12 1 1
6 1030 1 1 7 LEU HD13 H 10.587 15.623 -5.092 1.00 . A A . 7 LEU HD13 1 1
6 1031 1 1 7 LEU HD21 H 7.869 16.407 -2.761 1.00 . A A . 7 LEU HD21 1 1
6 1032 1 1 7 LEU HD22 H 8.321 15.234 -1.523 1.00 . A A . 7 LEU HD22 1 1
6 1033 1 1 7 LEU HD23 H 7.632 14.684 -3.052 1.00 . A A . 7 LEU HD23 1 1
6 1034 1 1 7 LEU HG H 10.237 16.179 -2.836 1.00 . A A . 7 LEU HG 1 1
6 1035 1 1 7 LEU N N 12.011 12.881 -4.123 1.00 . A A . 7 LEU N 1 1
6 1036 1 1 7 LEU O O 13.108 14.485 -1.147 1.00 . A A . 7 LEU O 1 1
6 1037 1 1 8 GLY C C 12.779 11.175 0.591 1.00 . A A . 8 GLY C 1 1
6 1038 1 1 8 GLY CA C 13.629 11.877 -0.449 1.00 . A A . 8 GLY CA 1 1
6 1039 1 1 8 GLY H H 12.478 11.623 -2.208 1.00 . A A . 8 GLY H 1 1
6 1040 1 1 8 GLY HA2 H 14.409 11.206 -0.774 1.00 . A A . 8 GLY HA2 1 1
6 1041 1 1 8 GLY HA3 H 14.082 12.748 0.002 1.00 . A A . 8 GLY HA3 1 1
6 1042 1 1 8 GLY N N 12.859 12.296 -1.605 1.00 . A A . 8 GLY N 1 1
6 1043 1 1 8 GLY O O 13.067 11.239 1.787 1.00 . A A . 8 GLY O 1 1
6 1044 1 1 9 THR C C 10.046 8.713 0.292 1.00 . A A . 9 THR C 1 1
6 1045 1 1 9 THR CA C 10.828 9.790 1.036 1.00 . A A . 9 THR CA 1 1
6 1046 1 1 9 THR CB C 9.835 10.749 1.719 1.00 . A A . 9 THR CB 1 1
6 1047 1 1 9 THR CG2 C 10.113 10.844 3.211 1.00 . A A . 9 THR CG2 1 1
6 1048 1 1 9 THR H H 11.547 10.491 -0.827 1.00 . A A . 9 THR H 1 1
6 1049 1 1 9 THR HA H 11.428 9.321 1.803 1.00 . A A . 9 THR HA 1 1
6 1050 1 1 9 THR HB H 8.834 10.367 1.577 1.00 . A A . 9 THR HB 1 1
6 1051 1 1 9 THR HG1 H 9.484 12.690 1.691 1.00 . A A . 9 THR HG1 1 1
6 1052 1 1 9 THR HG21 H 9.717 11.773 3.593 1.00 . A A . 9 THR HG21 1 1
6 1053 1 1 9 THR HG22 H 11.179 10.809 3.382 1.00 . A A . 9 THR HG22 1 1
6 1054 1 1 9 THR HG23 H 9.640 10.016 3.718 1.00 . A A . 9 THR HG23 1 1
6 1055 1 1 9 THR N N 11.725 10.504 0.137 1.00 . A A . 9 THR N 1 1
6 1056 1 1 9 THR O O 9.751 8.854 -0.895 1.00 . A A . 9 THR O 1 1
6 1057 1 1 9 THR OG1 O 9.926 12.050 1.128 1.00 . A A . 9 THR OG1 1 1
6 1058 1 1 10 TYR C C 7.489 6.888 0.265 1.00 . A A . 10 TYR C 1 1
6 1059 1 1 10 TYR CA C 8.967 6.535 0.402 1.00 . A A . 10 TYR CA 1 1
6 1060 1 1 10 TYR CB C 9.124 5.270 1.248 1.00 . A A . 10 TYR CB 1 1
6 1061 1 1 10 TYR CD1 C 8.644 2.877 0.600 1.00 . A A . 10 TYR CD1 1 1
6 1062 1 1 10 TYR CD2 C 10.431 4.004 -0.503 1.00 . A A . 10 TYR CD2 1 1
6 1063 1 1 10 TYR CE1 C 8.897 1.739 -0.141 1.00 . A A . 10 TYR CE1 1 1
6 1064 1 1 10 TYR CE2 C 10.690 2.871 -1.250 1.00 . A A . 10 TYR CE2 1 1
6 1065 1 1 10 TYR CG C 9.405 4.027 0.433 1.00 . A A . 10 TYR CG 1 1
6 1066 1 1 10 TYR CZ C 9.921 1.741 -1.065 1.00 . A A . 10 TYR CZ 1 1
6 1067 1 1 10 TYR H H 9.977 7.582 1.939 1.00 . A A . 10 TYR H 1 1
6 1068 1 1 10 TYR HA H 9.374 6.351 -0.582 1.00 . A A . 10 TYR HA 1 1
6 1069 1 1 10 TYR HB2 H 9.943 5.405 1.937 1.00 . A A . 10 TYR HB2 1 1
6 1070 1 1 10 TYR HB3 H 8.214 5.103 1.805 1.00 . A A . 10 TYR HB3 1 1
6 1071 1 1 10 TYR HD1 H 7.842 2.878 1.325 1.00 . A A . 10 TYR HD1 1 1
6 1072 1 1 10 TYR HD2 H 11.032 4.890 -0.645 1.00 . A A . 10 TYR HD2 1 1
6 1073 1 1 10 TYR HE1 H 8.294 0.854 0.003 1.00 . A A . 10 TYR HE1 1 1
6 1074 1 1 10 TYR HE2 H 11.493 2.872 -1.973 1.00 . A A . 10 TYR HE2 1 1
6 1075 1 1 10 TYR HH H 9.557 -0.080 -1.561 1.00 . A A . 10 TYR HH 1 1
6 1076 1 1 10 TYR N N 9.714 7.637 0.997 1.00 . A A . 10 TYR N 1 1
6 1077 1 1 10 TYR O O 6.623 6.212 0.819 1.00 . A A . 10 TYR O 1 1
6 1078 1 1 10 TYR OH O 10.177 0.610 -1.806 1.00 . A A . 10 TYR OH 1 1
6 1079 1 1 11 VAL C C 4.955 7.250 -1.166 1.00 . A A . 11 VAL C 1 1
6 1080 1 1 11 VAL CA C 5.837 8.399 -0.692 1.00 . A A . 11 VAL CA 1 1
6 1081 1 1 11 VAL CB C 5.771 9.542 -1.722 1.00 . A A . 11 VAL CB 1 1
6 1082 1 1 11 VAL CG1 C 6.054 9.017 -3.121 1.00 . A A . 11 VAL CG1 1 1
6 1083 1 1 11 VAL CG2 C 4.416 10.231 -1.665 1.00 . A A . 11 VAL CG2 1 1
6 1084 1 1 11 VAL H H 7.943 8.453 -0.895 1.00 . A A . 11 VAL H 1 1
6 1085 1 1 11 VAL HA H 5.456 8.768 0.250 1.00 . A A . 11 VAL HA 1 1
6 1086 1 1 11 VAL HB H 6.531 10.268 -1.473 1.00 . A A . 11 VAL HB 1 1
6 1087 1 1 11 VAL HG11 H 7.015 8.525 -3.133 1.00 . A A . 11 VAL HG11 1 1
6 1088 1 1 11 VAL HG12 H 5.284 8.314 -3.404 1.00 . A A . 11 VAL HG12 1 1
6 1089 1 1 11 VAL HG13 H 6.063 9.841 -3.819 1.00 . A A . 11 VAL HG13 1 1
6 1090 1 1 11 VAL HG21 H 4.028 10.179 -0.659 1.00 . A A . 11 VAL HG21 1 1
6 1091 1 1 11 VAL HG22 H 4.526 11.266 -1.955 1.00 . A A . 11 VAL HG22 1 1
6 1092 1 1 11 VAL HG23 H 3.733 9.739 -2.342 1.00 . A A . 11 VAL HG23 1 1
6 1093 1 1 11 VAL N N 7.209 7.954 -0.479 1.00 . A A . 11 VAL N 1 1
6 1094 1 1 11 VAL O O 5.415 6.347 -1.866 1.00 . A A . 11 VAL O 1 1
6 1095 1 1 12 CYS C C 1.593 6.839 -1.992 1.00 . A A . 12 CYS C 1 1
6 1096 1 1 12 CYS CA C 2.735 6.252 -1.167 1.00 . A A . 12 CYS CA 1 1
6 1097 1 1 12 CYS CB C 2.175 5.556 0.076 1.00 . A A . 12 CYS CB 1 1
6 1098 1 1 12 CYS H H 3.376 8.035 -0.223 1.00 . A A . 12 CYS H 1 1
6 1099 1 1 12 CYS HA H 3.262 5.527 -1.768 1.00 . A A . 12 CYS HA 1 1
6 1100 1 1 12 CYS HB2 H 1.317 6.107 0.432 1.00 . A A . 12 CYS HB2 1 1
6 1101 1 1 12 CYS HB3 H 1.869 4.554 -0.189 1.00 . A A . 12 CYS HB3 1 1
6 1102 1 1 12 CYS N N 3.684 7.289 -0.781 1.00 . A A . 12 CYS N 1 1
6 1103 1 1 12 CYS O O 1.791 7.775 -2.766 1.00 . A A . 12 CYS O 1 1
6 1104 1 1 12 CYS SG S 3.360 5.428 1.453 1.00 . A A . 12 CYS SG 1 1
7 1105 1 1 1 ALA C C 2.916 1.215 -1.378 1.00 . A A . 1 ALA C 1 1
7 1106 1 1 1 ALA CA C 2.290 -0.151 -1.119 1.00 . A A . 1 ALA CA 1 1
7 1107 1 1 1 ALA CB C 1.681 -0.706 -2.398 1.00 . A A . 1 ALA CB 1 1
7 1108 1 1 1 ALA H1 H 1.284 0.690 0.542 1.00 . A A . 1 ALA H1 1 1
7 1109 1 1 1 ALA HA H 3.061 -0.833 -0.791 1.00 . A A . 1 ALA HA 1 1
7 1110 1 1 1 ALA HB1 H 0.654 -0.379 -2.478 1.00 . A A . 1 ALA HB1 1 1
7 1111 1 1 1 ALA HB2 H 2.241 -0.347 -3.248 1.00 . A A . 1 ALA HB2 1 1
7 1112 1 1 1 ALA HB3 H 1.715 -1.785 -2.374 1.00 . A A . 1 ALA HB3 1 1
7 1113 1 1 1 ALA N N 1.280 -0.075 -0.070 1.00 . A A . 1 ALA N 1 1
7 1114 1 1 1 ALA O O 2.412 1.998 -2.184 1.00 . A A . 1 ALA O 1 1
7 1115 1 1 2 CYS C C 5.798 2.668 -1.913 1.00 . A A . 2 CYS C 1 1
7 1116 1 1 2 CYS CA C 4.713 2.767 -0.844 1.00 . A A . 2 CYS CA 1 1
7 1117 1 1 2 CYS CB C 5.332 3.199 0.487 1.00 . A A . 2 CYS CB 1 1
7 1118 1 1 2 CYS H H 4.372 0.830 -0.062 1.00 . A A . 2 CYS H 1 1
7 1119 1 1 2 CYS HA H 3.989 3.507 -1.151 1.00 . A A . 2 CYS HA 1 1
7 1120 1 1 2 CYS HB2 H 5.889 2.371 0.902 1.00 . A A . 2 CYS HB2 1 1
7 1121 1 1 2 CYS HB3 H 6.005 4.025 0.311 1.00 . A A . 2 CYS HB3 1 1
7 1122 1 1 2 CYS N N 4.018 1.495 -0.690 1.00 . A A . 2 CYS N 1 1
7 1123 1 1 2 CYS O O 6.115 1.579 -2.392 1.00 . A A . 2 CYS O 1 1
7 1124 1 1 2 CYS SG S 4.116 3.728 1.735 1.00 . A A . 2 CYS SG 1 1
7 1125 1 1 3 PHE C C 8.408 4.972 -3.000 1.00 . A A . 3 PHE C 1 1
7 1126 1 1 3 PHE CA C 7.411 3.855 -3.296 1.00 . A A . 3 PHE CA 1 1
7 1127 1 1 3 PHE CB C 6.800 4.057 -4.684 1.00 . A A . 3 PHE CB 1 1
7 1128 1 1 3 PHE CD1 C 4.370 3.447 -4.542 1.00 . A A . 3 PHE CD1 1 1
7 1129 1 1 3 PHE CD2 C 4.951 5.752 -4.729 1.00 . A A . 3 PHE CD2 1 1
7 1130 1 1 3 PHE CE1 C 3.030 3.784 -4.510 1.00 . A A . 3 PHE CE1 1 1
7 1131 1 1 3 PHE CE2 C 3.612 6.095 -4.698 1.00 . A A . 3 PHE CE2 1 1
7 1132 1 1 3 PHE CG C 5.345 4.426 -4.651 1.00 . A A . 3 PHE CG 1 1
7 1133 1 1 3 PHE CZ C 2.651 5.109 -4.590 1.00 . A A . 3 PHE CZ 1 1
7 1134 1 1 3 PHE H H 6.067 4.649 -1.865 1.00 . A A . 3 PHE H 1 1
7 1135 1 1 3 PHE HA H 7.931 2.910 -3.274 1.00 . A A . 3 PHE HA 1 1
7 1136 1 1 3 PHE HB2 H 7.331 4.848 -5.192 1.00 . A A . 3 PHE HB2 1 1
7 1137 1 1 3 PHE HB3 H 6.899 3.142 -5.249 1.00 . A A . 3 PHE HB3 1 1
7 1138 1 1 3 PHE HD1 H 4.666 2.409 -4.480 1.00 . A A . 3 PHE HD1 1 1
7 1139 1 1 3 PHE HD2 H 5.702 6.524 -4.815 1.00 . A A . 3 PHE HD2 1 1
7 1140 1 1 3 PHE HE1 H 2.281 3.010 -4.426 1.00 . A A . 3 PHE HE1 1 1
7 1141 1 1 3 PHE HE2 H 3.318 7.132 -4.760 1.00 . A A . 3 PHE HE2 1 1
7 1142 1 1 3 PHE HZ H 1.604 5.374 -4.565 1.00 . A A . 3 PHE HZ 1 1
7 1143 1 1 3 PHE N N 6.363 3.813 -2.283 1.00 . A A . 3 PHE N 1 1
7 1144 1 1 3 PHE O O 8.052 6.002 -2.427 1.00 . A A . 3 PHE O 1 1
7 1145 1 1 4 LEU C C 10.674 6.831 -4.242 1.00 . A A . 4 LEU C 1 1
7 1146 1 1 4 LEU CA C 10.710 5.746 -3.170 1.00 . A A . 4 LEU CA 1 1
7 1147 1 1 4 LEU CB C 12.081 5.068 -3.160 1.00 . A A . 4 LEU CB 1 1
7 1148 1 1 4 LEU CD1 C 13.514 7.004 -2.466 1.00 . A A . 4 LEU CD1 1 1
7 1149 1 1 4 LEU CD2 C 14.517 5.106 -3.750 1.00 . A A . 4 LEU CD2 1 1
7 1150 1 1 4 LEU CG C 13.270 5.952 -3.537 1.00 . A A . 4 LEU CG 1 1
7 1151 1 1 4 LEU H H 9.883 3.919 -3.844 1.00 . A A . 4 LEU H 1 1
7 1152 1 1 4 LEU HA H 10.536 6.203 -2.207 1.00 . A A . 4 LEU HA 1 1
7 1153 1 1 4 LEU HB2 H 12.254 4.688 -2.165 1.00 . A A . 4 LEU HB2 1 1
7 1154 1 1 4 LEU HB3 H 12.046 4.243 -3.858 1.00 . A A . 4 LEU HB3 1 1
7 1155 1 1 4 LEU HD11 H 14.350 6.706 -1.853 1.00 . A A . 4 LEU HD11 1 1
7 1156 1 1 4 LEU HD12 H 12.632 7.101 -1.850 1.00 . A A . 4 LEU HD12 1 1
7 1157 1 1 4 LEU HD13 H 13.731 7.952 -2.936 1.00 . A A . 4 LEU HD13 1 1
7 1158 1 1 4 LEU HD21 H 14.539 4.749 -4.770 1.00 . A A . 4 LEU HD21 1 1
7 1159 1 1 4 LEU HD22 H 14.500 4.263 -3.075 1.00 . A A . 4 LEU HD22 1 1
7 1160 1 1 4 LEU HD23 H 15.395 5.704 -3.558 1.00 . A A . 4 LEU HD23 1 1
7 1161 1 1 4 LEU HG H 13.050 6.464 -4.464 1.00 . A A . 4 LEU HG 1 1
7 1162 1 1 4 LEU N N 9.659 4.759 -3.393 1.00 . A A . 4 LEU N 1 1
7 1163 1 1 4 LEU O O 10.764 6.543 -5.436 1.00 . A A . 4 LEU O 1 1
7 1164 1 1 5 THR C C 11.786 10.023 -4.666 1.00 . A A . 5 THR C 1 1
7 1165 1 1 5 THR CA C 10.499 9.209 -4.729 1.00 . A A . 5 THR CA 1 1
7 1166 1 1 5 THR CB C 9.305 10.133 -4.427 1.00 . A A . 5 THR CB 1 1
7 1167 1 1 5 THR CG2 C 8.162 9.876 -5.397 1.00 . A A . 5 THR CG2 1 1
7 1168 1 1 5 THR H H 10.479 8.247 -2.844 1.00 . A A . 5 THR H 1 1
7 1169 1 1 5 THR HA H 10.380 8.818 -5.730 1.00 . A A . 5 THR HA 1 1
7 1170 1 1 5 THR HB H 9.626 11.159 -4.536 1.00 . A A . 5 THR HB 1 1
7 1171 1 1 5 THR HG1 H 9.435 10.389 -2.475 1.00 . A A . 5 THR HG1 1 1
7 1172 1 1 5 THR HG21 H 7.431 10.666 -5.310 1.00 . A A . 5 THR HG21 1 1
7 1173 1 1 5 THR HG22 H 7.698 8.929 -5.163 1.00 . A A . 5 THR HG22 1 1
7 1174 1 1 5 THR HG23 H 8.545 9.850 -6.405 1.00 . A A . 5 THR HG23 1 1
7 1175 1 1 5 THR N N 10.545 8.081 -3.808 1.00 . A A . 5 THR N 1 1
7 1176 1 1 5 THR O O 12.533 9.947 -3.690 1.00 . A A . 5 THR O 1 1
7 1177 1 1 5 THR OG1 O 8.853 9.926 -3.084 1.00 . A A . 5 THR OG1 1 1
7 1178 1 1 6 ARG C C 13.191 12.736 -4.724 1.00 . A A . 6 ARG C 1 1
7 1179 1 1 6 ARG CA C 13.238 11.631 -5.775 1.00 . A A . 6 ARG CA 1 1
7 1180 1 1 6 ARG CB C 13.386 12.245 -7.169 1.00 . A A . 6 ARG CB 1 1
7 1181 1 1 6 ARG CD C 12.701 10.290 -8.591 1.00 . A A . 6 ARG CD 1 1
7 1182 1 1 6 ARG CG C 13.824 11.249 -8.230 1.00 . A A . 6 ARG CG 1 1
7 1183 1 1 6 ARG CZ C 13.655 8.076 -8.112 1.00 . A A . 6 ARG CZ 1 1
7 1184 1 1 6 ARG H H 11.406 10.821 -6.460 1.00 . A A . 6 ARG H 1 1
7 1185 1 1 6 ARG HA H 14.090 10.998 -5.578 1.00 . A A . 6 ARG HA 1 1
7 1186 1 1 6 ARG HB2 H 12.436 12.663 -7.469 1.00 . A A . 6 ARG HB2 1 1
7 1187 1 1 6 ARG HB3 H 14.120 13.036 -7.124 1.00 . A A . 6 ARG HB3 1 1
7 1188 1 1 6 ARG HD2 H 11.756 10.767 -8.376 1.00 . A A . 6 ARG HD2 1 1
7 1189 1 1 6 ARG HD3 H 12.760 10.069 -9.647 1.00 . A A . 6 ARG HD3 1 1
7 1190 1 1 6 ARG HE H 12.159 8.917 -7.095 1.00 . A A . 6 ARG HE 1 1
7 1191 1 1 6 ARG HG2 H 14.121 11.789 -9.117 1.00 . A A . 6 ARG HG2 1 1
7 1192 1 1 6 ARG HG3 H 14.663 10.682 -7.853 1.00 . A A . 6 ARG HG3 1 1
7 1193 1 1 6 ARG HH11 H 14.505 9.050 -9.664 1.00 . A A . 6 ARG HH11 1 1
7 1194 1 1 6 ARG HH12 H 15.169 7.488 -9.315 1.00 . A A . 6 ARG HH12 1 1
7 1195 1 1 6 ARG HH21 H 13.024 6.859 -6.626 1.00 . A A . 6 ARG HH21 1 1
7 1196 1 1 6 ARG HH22 H 14.324 6.242 -7.587 1.00 . A A . 6 ARG HH22 1 1
7 1197 1 1 6 ARG N N 12.040 10.803 -5.713 1.00 . A A . 6 ARG N 1 1
7 1198 1 1 6 ARG NE N 12.784 9.041 -7.839 1.00 . A A . 6 ARG NE 1 1
7 1199 1 1 6 ARG NH1 N 14.513 8.216 -9.113 1.00 . A A . 6 ARG NH1 1 1
7 1200 1 1 6 ARG NH2 N 13.669 6.968 -7.382 1.00 . A A . 6 ARG NH2 1 1
7 1201 1 1 6 ARG O O 14.180 13.434 -4.496 1.00 . A A . 6 ARG O 1 1
7 1202 1 1 7 LEU C C 12.675 13.574 -1.812 1.00 . A A . 7 LEU C 1 1
7 1203 1 1 7 LEU CA C 11.859 13.908 -3.057 1.00 . A A . 7 LEU CA 1 1
7 1204 1 1 7 LEU CB C 10.380 14.041 -2.691 1.00 . A A . 7 LEU CB 1 1
7 1205 1 1 7 LEU CD1 C 10.376 16.476 -2.096 1.00 . A A . 7 LEU CD1 1 1
7 1206 1 1 7 LEU CD2 C 9.864 15.762 -4.438 1.00 . A A . 7 LEU CD2 1 1
7 1207 1 1 7 LEU CG C 9.740 15.402 -2.965 1.00 . A A . 7 LEU CG 1 1
7 1208 1 1 7 LEU H H 11.284 12.302 -4.309 1.00 . A A . 7 LEU H 1 1
7 1209 1 1 7 LEU HA H 12.208 14.848 -3.459 1.00 . A A . 7 LEU HA 1 1
7 1210 1 1 7 LEU HB2 H 9.833 13.299 -3.252 1.00 . A A . 7 LEU HB2 1 1
7 1211 1 1 7 LEU HB3 H 10.282 13.835 -1.634 1.00 . A A . 7 LEU HB3 1 1
7 1212 1 1 7 LEU HD11 H 9.615 17.166 -1.763 1.00 . A A . 7 LEU HD11 1 1
7 1213 1 1 7 LEU HD12 H 11.120 17.009 -2.669 1.00 . A A . 7 LEU HD12 1 1
7 1214 1 1 7 LEU HD13 H 10.844 16.014 -1.239 1.00 . A A . 7 LEU HD13 1 1
7 1215 1 1 7 LEU HD21 H 9.423 14.980 -5.038 1.00 . A A . 7 LEU HD21 1 1
7 1216 1 1 7 LEU HD22 H 10.908 15.868 -4.696 1.00 . A A . 7 LEU HD22 1 1
7 1217 1 1 7 LEU HD23 H 9.350 16.693 -4.626 1.00 . A A . 7 LEU HD23 1 1
7 1218 1 1 7 LEU HG H 8.688 15.354 -2.719 1.00 . A A . 7 LEU HG 1 1
7 1219 1 1 7 LEU N N 12.036 12.888 -4.085 1.00 . A A . 7 LEU N 1 1
7 1220 1 1 7 LEU O O 13.132 14.466 -1.099 1.00 . A A . 7 LEU O 1 1
7 1221 1 1 8 GLY C C 12.760 11.139 0.626 1.00 . A A . 8 GLY C 1 1
7 1222 1 1 8 GLY CA C 13.617 11.851 -0.401 1.00 . A A . 8 GLY CA 1 1
7 1223 1 1 8 GLY H H 12.467 11.614 -2.162 1.00 . A A . 8 GLY H 1 1
7 1224 1 1 8 GLY HA2 H 14.401 11.184 -0.727 1.00 . A A . 8 GLY HA2 1 1
7 1225 1 1 8 GLY HA3 H 14.067 12.718 0.062 1.00 . A A . 8 GLY HA3 1 1
7 1226 1 1 8 GLY N N 12.855 12.281 -1.558 1.00 . A A . 8 GLY N 1 1
7 1227 1 1 8 GLY O O 13.048 11.179 1.823 1.00 . A A . 8 GLY O 1 1
7 1228 1 1 9 THR C C 10.020 8.693 0.286 1.00 . A A . 9 THR C 1 1
7 1229 1 1 9 THR CA C 10.798 9.761 1.046 1.00 . A A . 9 THR CA 1 1
7 1230 1 1 9 THR CB C 9.801 10.715 1.731 1.00 . A A . 9 THR CB 1 1
7 1231 1 1 9 THR CG2 C 10.071 10.799 3.225 1.00 . A A . 9 THR CG2 1 1
7 1232 1 1 9 THR H H 11.525 10.488 -0.804 1.00 . A A . 9 THR H 1 1
7 1233 1 1 9 THR HA H 11.392 9.285 1.812 1.00 . A A . 9 THR HA 1 1
7 1234 1 1 9 THR HB H 8.801 10.334 1.581 1.00 . A A . 9 THR HB 1 1
7 1235 1 1 9 THR HG1 H 9.078 12.501 1.309 1.00 . A A . 9 THR HG1 1 1
7 1236 1 1 9 THR HG21 H 9.677 11.727 3.611 1.00 . A A . 9 THR HG21 1 1
7 1237 1 1 9 THR HG22 H 11.136 10.759 3.401 1.00 . A A . 9 THR HG22 1 1
7 1238 1 1 9 THR HG23 H 9.592 9.970 3.724 1.00 . A A . 9 THR HG23 1 1
7 1239 1 1 9 THR N N 11.701 10.484 0.159 1.00 . A A . 9 THR N 1 1
7 1240 1 1 9 THR O O 9.735 8.845 -0.902 1.00 . A A . 9 THR O 1 1
7 1241 1 1 9 THR OG1 O 9.895 12.021 1.150 1.00 . A A . 9 THR OG1 1 1
7 1242 1 1 10 TYR C C 7.461 6.874 0.221 1.00 . A A . 10 TYR C 1 1
7 1243 1 1 10 TYR CA C 8.936 6.516 0.368 1.00 . A A . 10 TYR CA 1 1
7 1244 1 1 10 TYR CB C 9.084 5.243 1.204 1.00 . A A . 10 TYR CB 1 1
7 1245 1 1 10 TYR CD1 C 8.600 2.858 0.532 1.00 . A A . 10 TYR CD1 1 1
7 1246 1 1 10 TYR CD2 C 10.400 3.988 -0.548 1.00 . A A . 10 TYR CD2 1 1
7 1247 1 1 10 TYR CE1 C 8.855 1.726 -0.218 1.00 . A A . 10 TYR CE1 1 1
7 1248 1 1 10 TYR CE2 C 10.662 2.861 -1.302 1.00 . A A . 10 TYR CE2 1 1
7 1249 1 1 10 TYR CG C 9.367 4.007 0.380 1.00 . A A . 10 TYR CG 1 1
7 1250 1 1 10 TYR CZ C 9.887 1.732 -1.134 1.00 . A A . 10 TYR CZ 1 1
7 1251 1 1 10 TYR H H 9.936 7.547 1.922 1.00 . A A . 10 TYR H 1 1
7 1252 1 1 10 TYR HA H 9.352 6.340 -0.614 1.00 . A A . 10 TYR HA 1 1
7 1253 1 1 10 TYR HB2 H 9.898 5.370 1.900 1.00 . A A . 10 TYR HB2 1 1
7 1254 1 1 10 TYR HB3 H 8.169 5.074 1.753 1.00 . A A . 10 TYR HB3 1 1
7 1255 1 1 10 TYR HD1 H 7.793 2.856 1.250 1.00 . A A . 10 TYR HD1 1 1
7 1256 1 1 10 TYR HD2 H 11.006 4.873 -0.677 1.00 . A A . 10 TYR HD2 1 1
7 1257 1 1 10 TYR HE1 H 8.249 0.842 -0.086 1.00 . A A . 10 TYR HE1 1 1
7 1258 1 1 10 TYR HE2 H 11.469 2.865 -2.019 1.00 . A A . 10 TYR HE2 1 1
7 1259 1 1 10 TYR HH H 11.022 0.673 -2.268 1.00 . A A . 10 TYR HH 1 1
7 1260 1 1 10 TYR N N 9.680 7.611 0.978 1.00 . A A . 10 TYR N 1 1
7 1261 1 1 10 TYR O O 6.588 6.194 0.762 1.00 . A A . 10 TYR O 1 1
7 1262 1 1 10 TYR OH O 10.145 0.607 -1.883 1.00 . A A . 10 TYR OH 1 1
7 1263 1 1 11 VAL C C 4.939 7.252 -1.228 1.00 . A A . 11 VAL C 1 1
7 1264 1 1 11 VAL CA C 5.819 8.395 -0.736 1.00 . A A . 11 VAL CA 1 1
7 1265 1 1 11 VAL CB C 5.764 9.547 -1.756 1.00 . A A . 11 VAL CB 1 1
7 1266 1 1 11 VAL CG1 C 6.060 9.035 -3.157 1.00 . A A . 11 VAL CG1 1 1
7 1267 1 1 11 VAL CG2 C 4.409 10.237 -1.708 1.00 . A A . 11 VAL CG2 1 1
7 1268 1 1 11 VAL H H 7.927 8.447 -0.921 1.00 . A A . 11 VAL H 1 1
7 1269 1 1 11 VAL HA H 5.431 8.757 0.205 1.00 . A A . 11 VAL HA 1 1
7 1270 1 1 11 VAL HB H 6.522 10.271 -1.494 1.00 . A A . 11 VAL HB 1 1
7 1271 1 1 11 VAL HG11 H 5.294 8.333 -3.453 1.00 . A A . 11 VAL HG11 1 1
7 1272 1 1 11 VAL HG12 H 6.076 9.864 -3.849 1.00 . A A . 11 VAL HG12 1 1
7 1273 1 1 11 VAL HG13 H 7.021 8.541 -3.164 1.00 . A A . 11 VAL HG13 1 1
7 1274 1 1 11 VAL HG21 H 4.522 11.272 -1.992 1.00 . A A . 11 VAL HG21 1 1
7 1275 1 1 11 VAL HG22 H 3.731 9.748 -2.393 1.00 . A A . 11 VAL HG22 1 1
7 1276 1 1 11 VAL HG23 H 4.011 10.179 -0.706 1.00 . A A . 11 VAL HG23 1 1
7 1277 1 1 11 VAL N N 7.189 7.946 -0.515 1.00 . A A . 11 VAL N 1 1
7 1278 1 1 11 VAL O O 5.402 6.357 -1.935 1.00 . A A . 11 VAL O 1 1
7 1279 1 1 12 CYS C C 1.587 6.851 -2.086 1.00 . A A . 12 CYS C 1 1
7 1280 1 1 12 CYS CA C 2.718 6.256 -1.252 1.00 . A A . 12 CYS CA 1 1
7 1281 1 1 12 CYS CB C 2.143 5.554 -0.020 1.00 . A A . 12 CYS CB 1 1
7 1282 1 1 12 CYS H H 3.355 8.028 -0.286 1.00 . A A . 12 CYS H 1 1
7 1283 1 1 12 CYS HA H 3.249 5.533 -1.852 1.00 . A A . 12 CYS HA 1 1
7 1284 1 1 12 CYS HB2 H 1.283 6.106 0.331 1.00 . A A . 12 CYS HB2 1 1
7 1285 1 1 12 CYS HB3 H 1.835 4.556 -0.295 1.00 . A A . 12 CYS HB3 1 1
7 1286 1 1 12 CYS N N 3.665 7.288 -0.850 1.00 . A A . 12 CYS N 1 1
7 1287 1 1 12 CYS O O 1.158 7.981 -1.852 1.00 . A A . 12 CYS O 1 1
7 1288 1 1 12 CYS SG S 3.313 5.413 1.369 1.00 . A A . 12 CYS SG 1 1
8 1289 1 1 1 ALA C C 3.889 0.831 -0.748 1.00 . A A . 1 ALA C 1 1
8 1290 1 1 1 ALA CA C 2.936 -0.355 -0.654 1.00 . A A . 1 ALA CA 1 1
8 1291 1 1 1 ALA CB C 1.726 0.004 0.195 1.00 . A A . 1 ALA CB 1 1
8 1292 1 1 1 ALA H1 H 4.351 -1.401 0.522 1.00 . A A . 1 ALA H1 1 1
8 1293 1 1 1 ALA HA H 2.588 -0.604 -1.646 1.00 . A A . 1 ALA HA 1 1
8 1294 1 1 1 ALA HB1 H 2.053 0.507 1.093 1.00 . A A . 1 ALA HB1 1 1
8 1295 1 1 1 ALA HB2 H 1.074 0.657 -0.367 1.00 . A A . 1 ALA HB2 1 1
8 1296 1 1 1 ALA HB3 H 1.193 -0.897 0.460 1.00 . A A . 1 ALA HB3 1 1
8 1297 1 1 1 ALA N N 3.609 -1.526 -0.106 1.00 . A A . 1 ALA N 1 1
8 1298 1 1 1 ALA O O 5.081 0.709 -0.461 1.00 . A A . 1 ALA O 1 1
8 1299 1 1 2 CYS C C 5.296 2.981 -2.286 1.00 . A A . 2 CYS C 1 1
8 1300 1 1 2 CYS CA C 4.161 3.189 -1.287 1.00 . A A . 2 CYS CA 1 1
8 1301 1 1 2 CYS CB C 4.733 3.600 0.072 1.00 . A A . 2 CYS CB 1 1
8 1302 1 1 2 CYS H H 2.402 2.016 -1.368 1.00 . A A . 2 CYS H 1 1
8 1303 1 1 2 CYS HA H 3.518 3.977 -1.650 1.00 . A A . 2 CYS HA 1 1
8 1304 1 1 2 CYS HB2 H 5.350 2.798 0.451 1.00 . A A . 2 CYS HB2 1 1
8 1305 1 1 2 CYS HB3 H 5.339 4.485 -0.054 1.00 . A A . 2 CYS HB3 1 1
8 1306 1 1 2 CYS N N 3.358 1.980 -1.153 1.00 . A A . 2 CYS N 1 1
8 1307 1 1 2 CYS O O 5.519 1.870 -2.767 1.00 . A A . 2 CYS O 1 1
8 1308 1 1 2 CYS SG S 3.468 3.967 1.330 1.00 . A A . 2 CYS SG 1 1
8 1309 1 1 3 PHE C C 8.181 5.040 -3.200 1.00 . A A . 3 PHE C 1 1
8 1310 1 1 3 PHE CA C 7.121 3.995 -3.537 1.00 . A A . 3 PHE CA 1 1
8 1311 1 1 3 PHE CB C 6.618 4.207 -4.967 1.00 . A A . 3 PHE CB 1 1
8 1312 1 1 3 PHE CD1 C 4.126 3.907 -4.992 1.00 . A A . 3 PHE CD1 1 1
8 1313 1 1 3 PHE CD2 C 5.003 6.120 -5.145 1.00 . A A . 3 PHE CD2 1 1
8 1314 1 1 3 PHE CE1 C 2.840 4.409 -5.054 1.00 . A A . 3 PHE CE1 1 1
8 1315 1 1 3 PHE CE2 C 3.719 6.627 -5.207 1.00 . A A . 3 PHE CE2 1 1
8 1316 1 1 3 PHE CG C 5.221 4.756 -5.036 1.00 . A A . 3 PHE CG 1 1
8 1317 1 1 3 PHE CZ C 2.636 5.770 -5.163 1.00 . A A . 3 PHE CZ 1 1
8 1318 1 1 3 PHE H H 5.784 4.917 -2.179 1.00 . A A . 3 PHE H 1 1
8 1319 1 1 3 PHE HA H 7.563 3.014 -3.462 1.00 . A A . 3 PHE HA 1 1
8 1320 1 1 3 PHE HB2 H 7.271 4.902 -5.472 1.00 . A A . 3 PHE HB2 1 1
8 1321 1 1 3 PHE HB3 H 6.631 3.262 -5.489 1.00 . A A . 3 PHE HB3 1 1
8 1322 1 1 3 PHE HD1 H 4.285 2.841 -4.907 1.00 . A A . 3 PHE HD1 1 1
8 1323 1 1 3 PHE HD2 H 5.848 6.791 -5.180 1.00 . A A . 3 PHE HD2 1 1
8 1324 1 1 3 PHE HE1 H 1.996 3.736 -5.019 1.00 . A A . 3 PHE HE1 1 1
8 1325 1 1 3 PHE HE2 H 3.562 7.692 -5.293 1.00 . A A . 3 PHE HE2 1 1
8 1326 1 1 3 PHE HZ H 1.632 6.164 -5.211 1.00 . A A . 3 PHE HZ 1 1
8 1327 1 1 3 PHE N N 6.010 4.059 -2.595 1.00 . A A . 3 PHE N 1 1
8 1328 1 1 3 PHE O O 7.860 6.164 -2.813 1.00 . A A . 3 PHE O 1 1
8 1329 1 1 4 LEU C C 10.650 6.663 -4.109 1.00 . A A . 4 LEU C 1 1
8 1330 1 1 4 LEU CA C 10.554 5.562 -3.058 1.00 . A A . 4 LEU CA 1 1
8 1331 1 1 4 LEU CB C 11.869 4.782 -2.998 1.00 . A A . 4 LEU CB 1 1
8 1332 1 1 4 LEU CD1 C 13.355 6.646 -2.224 1.00 . A A . 4 LEU CD1 1 1
8 1333 1 1 4 LEU CD2 C 14.344 4.660 -3.378 1.00 . A A . 4 LEU CD2 1 1
8 1334 1 1 4 LEU CG C 13.138 5.584 -3.290 1.00 . A A . 4 LEU CG 1 1
8 1335 1 1 4 LEU H H 9.639 3.751 -3.659 1.00 . A A . 4 LEU H 1 1
8 1336 1 1 4 LEU HA H 10.370 6.015 -2.095 1.00 . A A . 4 LEU HA 1 1
8 1337 1 1 4 LEU HB2 H 11.962 4.366 -2.007 1.00 . A A . 4 LEU HB2 1 1
8 1338 1 1 4 LEU HB3 H 11.810 3.980 -3.720 1.00 . A A . 4 LEU HB3 1 1
8 1339 1 1 4 LEU HD11 H 14.409 6.721 -1.999 1.00 . A A . 4 LEU HD11 1 1
8 1340 1 1 4 LEU HD12 H 12.815 6.374 -1.329 1.00 . A A . 4 LEU HD12 1 1
8 1341 1 1 4 LEU HD13 H 12.995 7.598 -2.585 1.00 . A A . 4 LEU HD13 1 1
8 1342 1 1 4 LEU HD21 H 14.180 3.794 -2.754 1.00 . A A . 4 LEU HD21 1 1
8 1343 1 1 4 LEU HD22 H 15.226 5.186 -3.040 1.00 . A A . 4 LEU HD22 1 1
8 1344 1 1 4 LEU HD23 H 14.483 4.346 -4.402 1.00 . A A . 4 LEU HD23 1 1
8 1345 1 1 4 LEU HG H 13.029 6.085 -4.242 1.00 . A A . 4 LEU HG 1 1
8 1346 1 1 4 LEU N N 9.445 4.659 -3.347 1.00 . A A . 4 LEU N 1 1
8 1347 1 1 4 LEU O O 10.671 6.390 -5.310 1.00 . A A . 4 LEU O 1 1
8 1348 1 1 5 THR C C 12.081 9.843 -4.302 1.00 . A A . 5 THR C 1 1
8 1349 1 1 5 THR CA C 10.802 9.051 -4.550 1.00 . A A . 5 THR CA 1 1
8 1350 1 1 5 THR CB C 9.592 9.991 -4.393 1.00 . A A . 5 THR CB 1 1
8 1351 1 1 5 THR CG2 C 8.424 9.516 -5.245 1.00 . A A . 5 THR CG2 1 1
8 1352 1 1 5 THR H H 10.687 8.062 -2.682 1.00 . A A . 5 THR H 1 1
8 1353 1 1 5 THR HA H 10.812 8.678 -5.564 1.00 . A A . 5 THR HA 1 1
8 1354 1 1 5 THR HB H 9.879 10.980 -4.721 1.00 . A A . 5 THR HB 1 1
8 1355 1 1 5 THR HG1 H 9.481 10.886 -2.639 1.00 . A A . 5 THR HG1 1 1
8 1356 1 1 5 THR HG21 H 8.795 9.139 -6.186 1.00 . A A . 5 THR HG21 1 1
8 1357 1 1 5 THR HG22 H 7.752 10.342 -5.427 1.00 . A A . 5 THR HG22 1 1
8 1358 1 1 5 THR HG23 H 7.897 8.730 -4.726 1.00 . A A . 5 THR HG23 1 1
8 1359 1 1 5 THR N N 10.708 7.909 -3.650 1.00 . A A . 5 THR N 1 1
8 1360 1 1 5 THR O O 12.577 9.902 -3.177 1.00 . A A . 5 THR O 1 1
8 1361 1 1 5 THR OG1 O 9.194 10.052 -3.019 1.00 . A A . 5 THR OG1 1 1
8 1362 1 1 6 ARG C C 13.577 12.543 -4.508 1.00 . A A . 6 ARG C 1 1
8 1363 1 1 6 ARG CA C 13.833 11.238 -5.256 1.00 . A A . 6 ARG CA 1 1
8 1364 1 1 6 ARG CB C 14.392 11.536 -6.648 1.00 . A A . 6 ARG CB 1 1
8 1365 1 1 6 ARG CD C 13.682 9.614 -8.104 1.00 . A A . 6 ARG CD 1 1
8 1366 1 1 6 ARG CG C 14.845 10.295 -7.401 1.00 . A A . 6 ARG CG 1 1
8 1367 1 1 6 ARG CZ C 13.778 7.254 -7.423 1.00 . A A . 6 ARG CZ 1 1
8 1368 1 1 6 ARG H H 12.169 10.365 -6.230 1.00 . A A . 6 ARG H 1 1
8 1369 1 1 6 ARG HA H 14.556 10.657 -4.703 1.00 . A A . 6 ARG HA 1 1
8 1370 1 1 6 ARG HB2 H 13.628 12.026 -7.233 1.00 . A A . 6 ARG HB2 1 1
8 1371 1 1 6 ARG HB3 H 15.239 12.199 -6.548 1.00 . A A . 6 ARG HB3 1 1
8 1372 1 1 6 ARG HD2 H 12.873 10.324 -8.203 1.00 . A A . 6 ARG HD2 1 1
8 1373 1 1 6 ARG HD3 H 14.006 9.299 -9.084 1.00 . A A . 6 ARG HD3 1 1
8 1374 1 1 6 ARG HE H 12.411 8.565 -6.799 1.00 . A A . 6 ARG HE 1 1
8 1375 1 1 6 ARG HG2 H 15.580 10.582 -8.139 1.00 . A A . 6 ARG HG2 1 1
8 1376 1 1 6 ARG HG3 H 15.287 9.602 -6.700 1.00 . A A . 6 ARG HG3 1 1
8 1377 1 1 6 ARG HH11 H 15.226 7.828 -8.709 1.00 . A A . 6 ARG HH11 1 1
8 1378 1 1 6 ARG HH12 H 15.283 6.166 -8.221 1.00 . A A . 6 ARG HH12 1 1
8 1379 1 1 6 ARG HH21 H 12.475 6.380 -6.148 1.00 . A A . 6 ARG HH21 1 1
8 1380 1 1 6 ARG HH22 H 13.717 5.344 -6.765 1.00 . A A . 6 ARG HH22 1 1
8 1381 1 1 6 ARG N N 12.611 10.450 -5.359 1.00 . A A . 6 ARG N 1 1
8 1382 1 1 6 ARG NE N 13.202 8.450 -7.365 1.00 . A A . 6 ARG NE 1 1
8 1383 1 1 6 ARG NH1 N 14.850 7.067 -8.180 1.00 . A A . 6 ARG NH1 1 1
8 1384 1 1 6 ARG NH2 N 13.283 6.243 -6.721 1.00 . A A . 6 ARG NH2 1 1
8 1385 1 1 6 ARG O O 14.508 13.285 -4.195 1.00 . A A . 6 ARG O 1 1
8 1386 1 1 7 LEU C C 12.307 13.945 -2.041 1.00 . A A . 7 LEU C 1 1
8 1387 1 1 7 LEU CA C 11.928 14.034 -3.516 1.00 . A A . 7 LEU CA 1 1
8 1388 1 1 7 LEU CB C 10.424 14.280 -3.654 1.00 . A A . 7 LEU CB 1 1
8 1389 1 1 7 LEU CD1 C 8.683 15.948 -4.340 1.00 . A A . 7 LEU CD1 1 1
8 1390 1 1 7 LEU CD2 C 9.789 16.147 -2.106 1.00 . A A . 7 LEU CD2 1 1
8 1391 1 1 7 LEU CG C 9.972 15.738 -3.560 1.00 . A A . 7 LEU CG 1 1
8 1392 1 1 7 LEU H H 11.609 12.188 -4.502 1.00 . A A . 7 LEU H 1 1
8 1393 1 1 7 LEU HA H 12.462 14.859 -3.963 1.00 . A A . 7 LEU HA 1 1
8 1394 1 1 7 LEU HB2 H 10.114 13.899 -4.615 1.00 . A A . 7 LEU HB2 1 1
8 1395 1 1 7 LEU HB3 H 9.926 13.727 -2.871 1.00 . A A . 7 LEU HB3 1 1
8 1396 1 1 7 LEU HD11 H 8.138 16.778 -3.918 1.00 . A A . 7 LEU HD11 1 1
8 1397 1 1 7 LEU HD12 H 8.079 15.054 -4.285 1.00 . A A . 7 LEU HD12 1 1
8 1398 1 1 7 LEU HD13 H 8.919 16.159 -5.373 1.00 . A A . 7 LEU HD13 1 1
8 1399 1 1 7 LEU HD21 H 9.966 15.294 -1.468 1.00 . A A . 7 LEU HD21 1 1
8 1400 1 1 7 LEU HD22 H 8.781 16.505 -1.957 1.00 . A A . 7 LEU HD22 1 1
8 1401 1 1 7 LEU HD23 H 10.491 16.931 -1.862 1.00 . A A . 7 LEU HD23 1 1
8 1402 1 1 7 LEU HG H 10.731 16.373 -3.994 1.00 . A A . 7 LEU HG 1 1
8 1403 1 1 7 LEU N N 12.308 12.818 -4.226 1.00 . A A . 7 LEU N 1 1
8 1404 1 1 7 LEU O O 12.528 14.961 -1.384 1.00 . A A . 7 LEU O 1 1
8 1405 1 1 8 GLY C C 12.807 11.054 0.240 1.00 . A A . 8 GLY C 1 1
8 1406 1 1 8 GLY CA C 12.737 12.520 -0.135 1.00 . A A . 8 GLY CA 1 1
8 1407 1 1 8 GLY H H 12.196 11.946 -2.100 1.00 . A A . 8 GLY H 1 1
8 1408 1 1 8 GLY HA2 H 13.699 12.975 0.049 1.00 . A A . 8 GLY HA2 1 1
8 1409 1 1 8 GLY HA3 H 11.997 13.004 0.486 1.00 . A A . 8 GLY HA3 1 1
8 1410 1 1 8 GLY N N 12.383 12.720 -1.528 1.00 . A A . 8 GLY N 1 1
8 1411 1 1 8 GLY O O 13.886 10.525 0.512 1.00 . A A . 8 GLY O 1 1
8 1412 1 1 9 THR C C 10.285 8.354 0.121 1.00 . A A . 9 THR C 1 1
8 1413 1 1 9 THR CA C 11.588 8.979 0.606 1.00 . A A . 9 THR CA 1 1
8 1414 1 1 9 THR CB C 11.710 8.769 2.127 1.00 . A A . 9 THR CB 1 1
8 1415 1 1 9 THR CG2 C 10.443 9.218 2.839 1.00 . A A . 9 THR CG2 1 1
8 1416 1 1 9 THR H H 10.828 10.869 0.032 1.00 . A A . 9 THR H 1 1
8 1417 1 1 9 THR HA H 12.417 8.479 0.127 1.00 . A A . 9 THR HA 1 1
8 1418 1 1 9 THR HB H 12.539 9.359 2.491 1.00 . A A . 9 THR HB 1 1
8 1419 1 1 9 THR HG1 H 12.907 7.232 2.433 1.00 . A A . 9 THR HG1 1 1
8 1420 1 1 9 THR HG21 H 9.844 9.814 2.167 1.00 . A A . 9 THR HG21 1 1
8 1421 1 1 9 THR HG22 H 10.706 9.806 3.705 1.00 . A A . 9 THR HG22 1 1
8 1422 1 1 9 THR HG23 H 9.879 8.351 3.150 1.00 . A A . 9 THR HG23 1 1
8 1423 1 1 9 THR N N 11.654 10.393 0.258 1.00 . A A . 9 THR N 1 1
8 1424 1 1 9 THR O O 9.574 8.935 -0.699 1.00 . A A . 9 THR O 1 1
8 1425 1 1 9 THR OG1 O 11.960 7.388 2.412 1.00 . A A . 9 THR OG1 1 1
8 1426 1 1 10 TYR C C 7.539 7.363 0.399 1.00 . A A . 10 TYR C 1 1
8 1427 1 1 10 TYR CA C 8.761 6.461 0.250 1.00 . A A . 10 TYR CA 1 1
8 1428 1 1 10 TYR CB C 8.587 5.202 1.101 1.00 . A A . 10 TYR CB 1 1
8 1429 1 1 10 TYR CD1 C 8.050 2.808 0.503 1.00 . A A . 10 TYR CD1 1 1
8 1430 1 1 10 TYR CD2 C 9.954 3.821 -0.512 1.00 . A A . 10 TYR CD2 1 1
8 1431 1 1 10 TYR CE1 C 8.303 1.635 -0.180 1.00 . A A . 10 TYR CE1 1 1
8 1432 1 1 10 TYR CE2 C 10.214 2.652 -1.201 1.00 . A A . 10 TYR CE2 1 1
8 1433 1 1 10 TYR CG C 8.869 3.920 0.350 1.00 . A A . 10 TYR CG 1 1
8 1434 1 1 10 TYR CZ C 9.387 1.562 -1.031 1.00 . A A . 10 TYR CZ 1 1
8 1435 1 1 10 TYR H H 10.585 6.754 1.282 1.00 . A A . 10 TYR H 1 1
8 1436 1 1 10 TYR HA H 8.857 6.173 -0.787 1.00 . A A . 10 TYR HA 1 1
8 1437 1 1 10 TYR HB2 H 9.262 5.248 1.941 1.00 . A A . 10 TYR HB2 1 1
8 1438 1 1 10 TYR HB3 H 7.570 5.158 1.463 1.00 . A A . 10 TYR HB3 1 1
8 1439 1 1 10 TYR HD1 H 7.202 2.869 1.170 1.00 . A A . 10 TYR HD1 1 1
8 1440 1 1 10 TYR HD2 H 10.601 4.677 -0.642 1.00 . A A . 10 TYR HD2 1 1
8 1441 1 1 10 TYR HE1 H 7.655 0.781 -0.048 1.00 . A A . 10 TYR HE1 1 1
8 1442 1 1 10 TYR HE2 H 11.063 2.594 -1.867 1.00 . A A . 10 TYR HE2 1 1
8 1443 1 1 10 TYR HH H 8.825 0.052 -2.080 1.00 . A A . 10 TYR HH 1 1
8 1444 1 1 10 TYR N N 9.978 7.167 0.632 1.00 . A A . 10 TYR N 1 1
8 1445 1 1 10 TYR O O 7.317 7.957 1.454 1.00 . A A . 10 TYR O 1 1
8 1446 1 1 10 TYR OH O 9.643 0.395 -1.714 1.00 . A A . 10 TYR OH 1 1
8 1447 1 1 11 VAL C C 4.389 7.582 -1.351 1.00 . A A . 11 VAL C 1 1
8 1448 1 1 11 VAL CA C 5.548 8.285 -0.653 1.00 . A A . 11 VAL CA 1 1
8 1449 1 1 11 VAL CB C 5.795 9.644 -1.336 1.00 . A A . 11 VAL CB 1 1
8 1450 1 1 11 VAL CG1 C 6.377 9.444 -2.727 1.00 . A A . 11 VAL CG1 1 1
8 1451 1 1 11 VAL CG2 C 4.506 10.450 -1.399 1.00 . A A . 11 VAL CG2 1 1
8 1452 1 1 11 VAL H H 6.978 6.961 -1.477 1.00 . A A . 11 VAL H 1 1
8 1453 1 1 11 VAL HA H 5.278 8.468 0.377 1.00 . A A . 11 VAL HA 1 1
8 1454 1 1 11 VAL HB H 6.512 10.195 -0.746 1.00 . A A . 11 VAL HB 1 1
8 1455 1 1 11 VAL HG11 H 5.633 8.990 -3.366 1.00 . A A . 11 VAL HG11 1 1
8 1456 1 1 11 VAL HG12 H 6.669 10.400 -3.136 1.00 . A A . 11 VAL HG12 1 1
8 1457 1 1 11 VAL HG13 H 7.241 8.799 -2.667 1.00 . A A . 11 VAL HG13 1 1
8 1458 1 1 11 VAL HG21 H 3.915 10.118 -2.239 1.00 . A A . 11 VAL HG21 1 1
8 1459 1 1 11 VAL HG22 H 3.946 10.307 -0.486 1.00 . A A . 11 VAL HG22 1 1
8 1460 1 1 11 VAL HG23 H 4.742 11.497 -1.515 1.00 . A A . 11 VAL HG23 1 1
8 1461 1 1 11 VAL N N 6.749 7.459 -0.665 1.00 . A A . 11 VAL N 1 1
8 1462 1 1 11 VAL O O 4.562 6.979 -2.410 1.00 . A A . 11 VAL O 1 1
8 1463 1 1 12 CYS C C 0.844 8.008 -1.330 1.00 . A A . 12 CYS C 1 1
8 1464 1 1 12 CYS CA C 2.018 7.033 -1.312 1.00 . A A . 12 CYS CA 1 1
8 1465 1 1 12 CYS CB C 1.647 5.786 -0.508 1.00 . A A . 12 CYS CB 1 1
8 1466 1 1 12 CYS H H 3.132 8.157 0.094 1.00 . A A . 12 CYS H 1 1
8 1467 1 1 12 CYS HA H 2.244 6.743 -2.326 1.00 . A A . 12 CYS HA 1 1
8 1468 1 1 12 CYS HB2 H 0.588 5.806 -0.295 1.00 . A A . 12 CYS HB2 1 1
8 1469 1 1 12 CYS HB3 H 1.874 4.908 -1.095 1.00 . A A . 12 CYS HB3 1 1
8 1470 1 1 12 CYS N N 3.207 7.662 -0.750 1.00 . A A . 12 CYS N 1 1
8 1471 1 1 12 CYS O O 0.483 8.540 -2.380 1.00 . A A . 12 CYS O 1 1
8 1472 1 1 12 CYS SG S 2.527 5.635 1.080 1.00 . A A . 12 CYS SG 1 1
9 1473 1 1 1 ALA C C 4.098 0.677 -0.772 1.00 . A A . 1 ALA C 1 1
9 1474 1 1 1 ALA CA C 3.173 -0.532 -0.679 1.00 . A A . 1 ALA CA 1 1
9 1475 1 1 1 ALA CB C 2.800 -1.022 -2.070 1.00 . A A . 1 ALA CB 1 1
9 1476 1 1 1 ALA H1 H 1.132 -0.669 -0.136 1.00 . A A . 1 ALA H1 1 1
9 1477 1 1 1 ALA HA H 3.692 -1.331 -0.169 1.00 . A A . 1 ALA HA 1 1
9 1478 1 1 1 ALA HB1 H 3.600 -0.790 -2.759 1.00 . A A . 1 ALA HB1 1 1
9 1479 1 1 1 ALA HB2 H 2.643 -2.090 -2.045 1.00 . A A . 1 ALA HB2 1 1
9 1480 1 1 1 ALA HB3 H 1.893 -0.532 -2.393 1.00 . A A . 1 ALA HB3 1 1
9 1481 1 1 1 ALA N N 1.972 -0.216 0.085 1.00 . A A . 1 ALA N 1 1
9 1482 1 1 1 ALA O O 5.294 0.579 -0.494 1.00 . A A . 1 ALA O 1 1
9 1483 1 1 2 CYS C C 5.443 2.869 -2.304 1.00 . A A . 2 CYS C 1 1
9 1484 1 1 2 CYS CA C 4.312 3.044 -1.295 1.00 . A A . 2 CYS CA 1 1
9 1485 1 1 2 CYS CB C 4.884 3.459 0.062 1.00 . A A . 2 CYS CB 1 1
9 1486 1 1 2 CYS H H 2.579 1.831 -1.371 1.00 . A A . 2 CYS H 1 1
9 1487 1 1 2 CYS HA H 3.648 3.819 -1.648 1.00 . A A . 2 CYS HA 1 1
9 1488 1 1 2 CYS HB2 H 5.521 2.668 0.432 1.00 . A A . 2 CYS HB2 1 1
9 1489 1 1 2 CYS HB3 H 5.469 4.357 -0.062 1.00 . A A . 2 CYS HB3 1 1
9 1490 1 1 2 CYS N N 3.537 1.816 -1.164 1.00 . A A . 2 CYS N 1 1
9 1491 1 1 2 CYS O O 5.687 1.767 -2.795 1.00 . A A . 2 CYS O 1 1
9 1492 1 1 2 CYS SG S 3.620 3.790 1.332 1.00 . A A . 2 CYS SG 1 1
9 1493 1 1 3 PHE C C 8.274 5.000 -3.223 1.00 . A A . 3 PHE C 1 1
9 1494 1 1 3 PHE CA C 7.236 3.933 -3.560 1.00 . A A . 3 PHE CA 1 1
9 1495 1 1 3 PHE CB C 6.718 4.141 -4.984 1.00 . A A . 3 PHE CB 1 1
9 1496 1 1 3 PHE CD1 C 5.062 6.021 -5.138 1.00 . A A . 3 PHE CD1 1 1
9 1497 1 1 3 PHE CD2 C 4.233 3.790 -4.992 1.00 . A A . 3 PHE CD2 1 1
9 1498 1 1 3 PHE CE1 C 3.768 6.503 -5.189 1.00 . A A . 3 PHE CE1 1 1
9 1499 1 1 3 PHE CE2 C 2.936 4.266 -5.044 1.00 . A A . 3 PHE CE2 1 1
9 1500 1 1 3 PHE CG C 5.309 4.661 -5.040 1.00 . A A . 3 PHE CG 1 1
9 1501 1 1 3 PHE CZ C 2.703 5.624 -5.141 1.00 . A A . 3 PHE CZ 1 1
9 1502 1 1 3 PHE H H 5.889 4.815 -2.185 1.00 . A A . 3 PHE H 1 1
9 1503 1 1 3 PHE HA H 7.702 2.962 -3.494 1.00 . A A . 3 PHE HA 1 1
9 1504 1 1 3 PHE HB2 H 7.353 4.852 -5.491 1.00 . A A . 3 PHE HB2 1 1
9 1505 1 1 3 PHE HB3 H 6.746 3.200 -5.511 1.00 . A A . 3 PHE HB3 1 1
9 1506 1 1 3 PHE HD1 H 5.895 6.710 -5.176 1.00 . A A . 3 PHE HD1 1 1
9 1507 1 1 3 PHE HD2 H 4.413 2.728 -4.915 1.00 . A A . 3 PHE HD2 1 1
9 1508 1 1 3 PHE HE1 H 3.590 7.565 -5.266 1.00 . A A . 3 PHE HE1 1 1
9 1509 1 1 3 PHE HE2 H 2.106 3.577 -5.005 1.00 . A A . 3 PHE HE2 1 1
9 1510 1 1 3 PHE HZ H 1.691 5.998 -5.182 1.00 . A A . 3 PHE HZ 1 1
9 1511 1 1 3 PHE N N 6.131 3.964 -2.609 1.00 . A A . 3 PHE N 1 1
9 1512 1 1 3 PHE O O 7.929 6.115 -2.829 1.00 . A A . 3 PHE O 1 1
9 1513 1 1 4 LEU C C 10.697 6.686 -4.140 1.00 . A A . 4 LEU C 1 1
9 1514 1 1 4 LEU CA C 10.635 5.577 -3.095 1.00 . A A . 4 LEU CA 1 1
9 1515 1 1 4 LEU CB C 11.969 4.829 -3.050 1.00 . A A . 4 LEU CB 1 1
9 1516 1 1 4 LEU CD1 C 13.415 6.724 -2.276 1.00 . A A . 4 LEU CD1 1 1
9 1517 1 1 4 LEU CD2 C 14.443 4.767 -3.447 1.00 . A A . 4 LEU CD2 1 1
9 1518 1 1 4 LEU CG C 13.216 5.662 -3.346 1.00 . A A . 4 LEU CG 1 1
9 1519 1 1 4 LEU H H 9.758 3.748 -3.699 1.00 . A A . 4 LEU H 1 1
9 1520 1 1 4 LEU HA H 10.447 6.020 -2.128 1.00 . A A . 4 LEU HA 1 1
9 1521 1 1 4 LEU HB2 H 12.079 4.409 -2.062 1.00 . A A . 4 LEU HB2 1 1
9 1522 1 1 4 LEU HB3 H 11.923 4.029 -3.776 1.00 . A A . 4 LEU HB3 1 1
9 1523 1 1 4 LEU HD11 H 13.073 7.678 -2.648 1.00 . A A . 4 LEU HD11 1 1
9 1524 1 1 4 LEU HD12 H 14.463 6.790 -2.025 1.00 . A A . 4 LEU HD12 1 1
9 1525 1 1 4 LEU HD13 H 12.850 6.457 -1.395 1.00 . A A . 4 LEU HD13 1 1
9 1526 1 1 4 LEU HD21 H 14.290 3.879 -2.853 1.00 . A A . 4 LEU HD21 1 1
9 1527 1 1 4 LEU HD22 H 15.308 5.301 -3.080 1.00 . A A . 4 LEU HD22 1 1
9 1528 1 1 4 LEU HD23 H 14.602 4.489 -4.478 1.00 . A A . 4 LEU HD23 1 1
9 1529 1 1 4 LEU HG H 13.089 6.164 -4.295 1.00 . A A . 4 LEU HG 1 1
9 1530 1 1 4 LEU N N 9.546 4.650 -3.382 1.00 . A A . 4 LEU N 1 1
9 1531 1 1 4 LEU O O 10.683 6.423 -5.343 1.00 . A A . 4 LEU O 1 1
9 1532 1 1 5 THR C C 12.089 9.901 -4.314 1.00 . A A . 5 THR C 1 1
9 1533 1 1 5 THR CA C 10.830 9.079 -4.566 1.00 . A A . 5 THR CA 1 1
9 1534 1 1 5 THR CB C 9.597 9.986 -4.404 1.00 . A A . 5 THR CB 1 1
9 1535 1 1 5 THR CG2 C 8.434 9.473 -5.239 1.00 . A A . 5 THR CG2 1 1
9 1536 1 1 5 THR H H 10.773 8.075 -2.704 1.00 . A A . 5 THR H 1 1
9 1537 1 1 5 THR HA H 10.850 8.711 -5.582 1.00 . A A . 5 THR HA 1 1
9 1538 1 1 5 THR HB H 9.853 10.980 -4.742 1.00 . A A . 5 THR HB 1 1
9 1539 1 1 5 THR HG1 H 9.155 9.157 -2.670 1.00 . A A . 5 THR HG1 1 1
9 1540 1 1 5 THR HG21 H 8.803 9.111 -6.187 1.00 . A A . 5 THR HG21 1 1
9 1541 1 1 5 THR HG22 H 7.731 10.276 -5.410 1.00 . A A . 5 THR HG22 1 1
9 1542 1 1 5 THR HG23 H 7.941 8.669 -4.714 1.00 . A A . 5 THR HG23 1 1
9 1543 1 1 5 THR N N 10.766 7.929 -3.673 1.00 . A A . 5 THR N 1 1
9 1544 1 1 5 THR O O 12.586 9.963 -3.190 1.00 . A A . 5 THR O 1 1
9 1545 1 1 5 THR OG1 O 9.211 10.047 -3.026 1.00 . A A . 5 THR OG1 1 1
9 1546 1 1 6 ARG C C 13.512 12.643 -4.503 1.00 . A A . 6 ARG C 1 1
9 1547 1 1 6 ARG CA C 13.801 11.349 -5.259 1.00 . A A . 6 ARG CA 1 1
9 1548 1 1 6 ARG CB C 14.351 11.671 -6.650 1.00 . A A . 6 ARG CB 1 1
9 1549 1 1 6 ARG CD C 13.682 9.748 -8.123 1.00 . A A . 6 ARG CD 1 1
9 1550 1 1 6 ARG CG C 14.831 10.448 -7.414 1.00 . A A . 6 ARG CG 1 1
9 1551 1 1 6 ARG CZ C 13.832 7.385 -7.462 1.00 . A A . 6 ARG CZ 1 1
9 1552 1 1 6 ARG H H 12.158 10.443 -6.238 1.00 . A A . 6 ARG H 1 1
9 1553 1 1 6 ARG HA H 14.540 10.783 -4.712 1.00 . A A . 6 ARG HA 1 1
9 1554 1 1 6 ARG HB2 H 13.575 12.149 -7.230 1.00 . A A . 6 ARG HB2 1 1
9 1555 1 1 6 ARG HB3 H 15.182 12.353 -6.546 1.00 . A A . 6 ARG HB3 1 1
9 1556 1 1 6 ARG HD2 H 12.858 10.440 -8.215 1.00 . A A . 6 ARG HD2 1 1
9 1557 1 1 6 ARG HD3 H 14.013 9.449 -9.106 1.00 . A A . 6 ARG HD3 1 1
9 1558 1 1 6 ARG HE H 12.435 8.659 -6.828 1.00 . A A . 6 ARG HE 1 1
9 1559 1 1 6 ARG HG2 H 15.559 10.757 -8.150 1.00 . A A . 6 ARG HG2 1 1
9 1560 1 1 6 ARG HG3 H 15.288 9.759 -6.719 1.00 . A A . 6 ARG HG3 1 1
9 1561 1 1 6 ARG HH11 H 15.267 8.002 -8.743 1.00 . A A . 6 ARG HH11 1 1
9 1562 1 1 6 ARG HH12 H 15.362 6.338 -8.269 1.00 . A A . 6 ARG HH12 1 1
9 1563 1 1 6 ARG HH21 H 12.548 6.470 -6.197 1.00 . A A . 6 ARG HH21 1 1
9 1564 1 1 6 ARG HH22 H 13.814 5.467 -6.822 1.00 . A A . 6 ARG HH22 1 1
9 1565 1 1 6 ARG N N 12.599 10.531 -5.367 1.00 . A A . 6 ARG N 1 1
9 1566 1 1 6 ARG NE N 13.229 8.566 -7.395 1.00 . A A . 6 ARG NE 1 1
9 1567 1 1 6 ARG NH1 N 14.908 7.229 -8.221 1.00 . A A . 6 ARG NH1 1 1
9 1568 1 1 6 ARG NH2 N 13.359 6.356 -6.770 1.00 . A A . 6 ARG NH2 1 1
9 1569 1 1 6 ARG O O 14.425 13.407 -4.187 1.00 . A A . 6 ARG O 1 1
9 1570 1 1 7 LEU C C 12.208 13.991 -2.022 1.00 . A A . 7 LEU C 1 1
9 1571 1 1 7 LEU CA C 11.827 14.082 -3.496 1.00 . A A . 7 LEU CA 1 1
9 1572 1 1 7 LEU CB C 10.318 14.291 -3.632 1.00 . A A . 7 LEU CB 1 1
9 1573 1 1 7 LEU CD1 C 9.323 16.228 -4.874 1.00 . A A . 7 LEU CD1 1 1
9 1574 1 1 7 LEU CD2 C 8.739 15.855 -2.471 1.00 . A A . 7 LEU CD2 1 1
9 1575 1 1 7 LEU CG C 9.828 15.736 -3.527 1.00 . A A . 7 LEU CG 1 1
9 1576 1 1 7 LEU H H 11.555 12.235 -4.492 1.00 . A A . 7 LEU H 1 1
9 1577 1 1 7 LEU HA H 12.340 14.924 -3.937 1.00 . A A . 7 LEU HA 1 1
9 1578 1 1 7 LEU HB2 H 10.017 13.910 -4.596 1.00 . A A . 7 LEU HB2 1 1
9 1579 1 1 7 LEU HB3 H 9.834 13.719 -2.853 1.00 . A A . 7 LEU HB3 1 1
9 1580 1 1 7 LEU HD11 H 8.628 17.041 -4.723 1.00 . A A . 7 LEU HD11 1 1
9 1581 1 1 7 LEU HD12 H 8.824 15.419 -5.389 1.00 . A A . 7 LEU HD12 1 1
9 1582 1 1 7 LEU HD13 H 10.157 16.572 -5.468 1.00 . A A . 7 LEU HD13 1 1
9 1583 1 1 7 LEU HD21 H 9.187 16.096 -1.518 1.00 . A A . 7 LEU HD21 1 1
9 1584 1 1 7 LEU HD22 H 8.210 14.916 -2.393 1.00 . A A . 7 LEU HD22 1 1
9 1585 1 1 7 LEU HD23 H 8.049 16.636 -2.752 1.00 . A A . 7 LEU HD23 1 1
9 1586 1 1 7 LEU HG H 10.654 16.368 -3.230 1.00 . A A . 7 LEU HG 1 1
9 1587 1 1 7 LEU N N 12.237 12.881 -4.215 1.00 . A A . 7 LEU N 1 1
9 1588 1 1 7 LEU O O 12.397 15.007 -1.355 1.00 . A A . 7 LEU O 1 1
9 1589 1 1 8 GLY C C 12.787 11.096 0.237 1.00 . A A . 8 GLY C 1 1
9 1590 1 1 8 GLY CA C 12.682 12.564 -0.128 1.00 . A A . 8 GLY CA 1 1
9 1591 1 1 8 GLY H H 12.159 11.991 -2.099 1.00 . A A . 8 GLY H 1 1
9 1592 1 1 8 GLY HA2 H 13.633 13.039 0.058 1.00 . A A . 8 GLY HA2 1 1
9 1593 1 1 8 GLY HA3 H 11.931 13.025 0.496 1.00 . A A . 8 GLY HA3 1 1
9 1594 1 1 8 GLY N N 12.322 12.765 -1.520 1.00 . A A . 8 GLY N 1 1
9 1595 1 1 8 GLY O O 13.878 10.591 0.504 1.00 . A A . 8 GLY O 1 1
9 1596 1 1 9 THR C C 10.327 8.340 0.107 1.00 . A A . 9 THR C 1 1
9 1597 1 1 9 THR CA C 11.618 8.991 0.588 1.00 . A A . 9 THR CA 1 1
9 1598 1 1 9 THR CB C 11.754 8.772 2.107 1.00 . A A . 9 THR CB 1 1
9 1599 1 1 9 THR CG2 C 10.482 9.187 2.830 1.00 . A A . 9 THR CG2 1 1
9 1600 1 1 9 THR H H 10.813 10.866 0.028 1.00 . A A . 9 THR H 1 1
9 1601 1 1 9 THR HA H 12.455 8.513 0.100 1.00 . A A . 9 THR HA 1 1
9 1602 1 1 9 THR HB H 12.571 9.379 2.471 1.00 . A A . 9 THR HB 1 1
9 1603 1 1 9 THR HG1 H 12.666 7.335 3.104 1.00 . A A . 9 THR HG1 1 1
9 1604 1 1 9 THR HG21 H 9.906 9.845 2.196 1.00 . A A . 9 THR HG21 1 1
9 1605 1 1 9 THR HG22 H 10.738 9.701 3.744 1.00 . A A . 9 THR HG22 1 1
9 1606 1 1 9 THR HG23 H 9.897 8.310 3.062 1.00 . A A . 9 THR HG23 1 1
9 1607 1 1 9 THR N N 11.650 10.408 0.250 1.00 . A A . 9 THR N 1 1
9 1608 1 1 9 THR O O 9.597 8.911 -0.704 1.00 . A A . 9 THR O 1 1
9 1609 1 1 9 THR OG1 O 12.036 7.395 2.380 1.00 . A A . 9 THR OG1 1 1
9 1610 1 1 10 TYR C C 7.605 7.285 0.393 1.00 . A A . 10 TYR C 1 1
9 1611 1 1 10 TYR CA C 8.846 6.413 0.230 1.00 . A A . 10 TYR CA 1 1
9 1612 1 1 10 TYR CB C 8.705 5.144 1.073 1.00 . A A . 10 TYR CB 1 1
9 1613 1 1 10 TYR CD1 C 8.221 2.742 0.464 1.00 . A A . 10 TYR CD1 1 1
9 1614 1 1 10 TYR CD2 C 10.094 3.806 -0.556 1.00 . A A . 10 TYR CD2 1 1
9 1615 1 1 10 TYR CE1 C 8.499 1.579 -0.229 1.00 . A A . 10 TYR CE1 1 1
9 1616 1 1 10 TYR CE2 C 10.378 2.648 -1.254 1.00 . A A . 10 TYR CE2 1 1
9 1617 1 1 10 TYR CG C 9.012 3.874 0.313 1.00 . A A . 10 TYR CG 1 1
9 1618 1 1 10 TYR CZ C 9.578 1.537 -1.086 1.00 . A A . 10 TYR CZ 1 1
9 1619 1 1 10 TYR H H 10.669 6.739 1.253 1.00 . A A . 10 TYR H 1 1
9 1620 1 1 10 TYR HA H 8.942 6.134 -0.809 1.00 . A A . 10 TYR HA 1 1
9 1621 1 1 10 TYR HB2 H 9.382 5.200 1.911 1.00 . A A . 10 TYR HB2 1 1
9 1622 1 1 10 TYR HB3 H 7.691 5.075 1.440 1.00 . A A . 10 TYR HB3 1 1
9 1623 1 1 10 TYR HD1 H 7.377 2.778 1.136 1.00 . A A . 10 TYR HD1 1 1
9 1624 1 1 10 TYR HD2 H 10.720 4.678 -0.685 1.00 . A A . 10 TYR HD2 1 1
9 1625 1 1 10 TYR HE1 H 7.872 0.709 -0.098 1.00 . A A . 10 TYR HE1 1 1
9 1626 1 1 10 TYR HE2 H 11.224 2.615 -1.925 1.00 . A A . 10 TYR HE2 1 1
9 1627 1 1 10 TYR HH H 10.306 0.601 -2.599 1.00 . A A . 10 TYR HH 1 1
9 1628 1 1 10 TYR N N 10.049 7.142 0.611 1.00 . A A . 10 TYR N 1 1
9 1629 1 1 10 TYR O O 7.378 7.871 1.452 1.00 . A A . 10 TYR O 1 1
9 1630 1 1 10 TYR OH O 9.858 0.381 -1.778 1.00 . A A . 10 TYR OH 1 1
9 1631 1 1 11 VAL C C 4.437 7.440 -1.332 1.00 . A A . 11 VAL C 1 1
9 1632 1 1 11 VAL CA C 5.585 8.166 -0.640 1.00 . A A . 11 VAL CA 1 1
9 1633 1 1 11 VAL CB C 5.796 9.533 -1.318 1.00 . A A . 11 VAL CB 1 1
9 1634 1 1 11 VAL CG1 C 6.362 9.353 -2.719 1.00 . A A . 11 VAL CG1 1 1
9 1635 1 1 11 VAL CG2 C 4.491 10.315 -1.358 1.00 . A A . 11 VAL CG2 1 1
9 1636 1 1 11 VAL H H 7.038 6.878 -1.480 1.00 . A A . 11 VAL H 1 1
9 1637 1 1 11 VAL HA H 5.318 8.338 0.393 1.00 . A A . 11 VAL HA 1 1
9 1638 1 1 11 VAL HB H 6.510 10.095 -0.735 1.00 . A A . 11 VAL HB 1 1
9 1639 1 1 11 VAL HG11 H 5.604 8.928 -3.361 1.00 . A A . 11 VAL HG11 1 1
9 1640 1 1 11 VAL HG12 H 6.670 10.312 -3.109 1.00 . A A . 11 VAL HG12 1 1
9 1641 1 1 11 VAL HG13 H 7.213 8.689 -2.680 1.00 . A A . 11 VAL HG13 1 1
9 1642 1 1 11 VAL HG21 H 3.948 10.153 -0.439 1.00 . A A . 11 VAL HG21 1 1
9 1643 1 1 11 VAL HG22 H 4.705 11.368 -1.469 1.00 . A A . 11 VAL HG22 1 1
9 1644 1 1 11 VAL HG23 H 3.895 9.979 -2.194 1.00 . A A . 11 VAL HG23 1 1
9 1645 1 1 11 VAL N N 6.804 7.367 -0.665 1.00 . A A . 11 VAL N 1 1
9 1646 1 1 11 VAL O O 4.616 6.844 -2.395 1.00 . A A . 11 VAL O 1 1
9 1647 1 1 12 CYS C C 0.882 7.786 -1.282 1.00 . A A . 12 CYS C 1 1
9 1648 1 1 12 CYS CA C 2.079 6.839 -1.280 1.00 . A A . 12 CYS CA 1 1
9 1649 1 1 12 CYS CB C 1.744 5.578 -0.481 1.00 . A A . 12 CYS CB 1 1
9 1650 1 1 12 CYS H H 3.177 7.982 0.122 1.00 . A A . 12 CYS H 1 1
9 1651 1 1 12 CYS HA H 2.304 6.561 -2.298 1.00 . A A . 12 CYS HA 1 1
9 1652 1 1 12 CYS HB2 H 0.686 5.572 -0.260 1.00 . A A . 12 CYS HB2 1 1
9 1653 1 1 12 CYS HB3 H 1.986 4.710 -1.076 1.00 . A A . 12 CYS HB3 1 1
9 1654 1 1 12 CYS N N 3.258 7.492 -0.723 1.00 . A A . 12 CYS N 1 1
9 1655 1 1 12 CYS O O 0.671 8.537 -0.330 1.00 . A A . 12 CYS O 1 1
9 1656 1 1 12 CYS SG S 2.641 5.438 1.098 1.00 . A A . 12 CYS SG 1 1
10 1657 1 1 1 ALA C C 3.870 0.856 -0.595 1.00 . A A . 1 ALA C 1 1
10 1658 1 1 1 ALA CA C 2.891 -0.309 -0.493 1.00 . A A . 1 ALA CA 1 1
10 1659 1 1 1 ALA CB C 2.448 -0.504 0.949 1.00 . A A . 1 ALA CB 1 1
10 1660 1 1 1 ALA H1 H 3.056 -1.987 -1.771 1.00 . A A . 1 ALA H1 1 1
10 1661 1 1 1 ALA HA H 2.016 -0.083 -1.085 1.00 . A A . 1 ALA HA 1 1
10 1662 1 1 1 ALA HB1 H 3.238 -0.184 1.613 1.00 . A A . 1 ALA HB1 1 1
10 1663 1 1 1 ALA HB2 H 1.561 0.083 1.136 1.00 . A A . 1 ALA HB2 1 1
10 1664 1 1 1 ALA HB3 H 2.233 -1.548 1.121 1.00 . A A . 1 ALA HB3 1 1
10 1665 1 1 1 ALA N N 3.480 -1.537 -1.012 1.00 . A A . 1 ALA N 1 1
10 1666 1 1 1 ALA O O 5.060 0.707 -0.314 1.00 . A A . 1 ALA O 1 1
10 1667 1 1 2 CYS C C 5.316 2.971 -2.147 1.00 . A A . 2 CYS C 1 1
10 1668 1 1 2 CYS CA C 4.193 3.206 -1.141 1.00 . A A . 2 CYS CA 1 1
10 1669 1 1 2 CYS CB C 4.782 3.606 0.214 1.00 . A A . 2 CYS CB 1 1
10 1670 1 1 2 CYS H H 2.407 2.072 -1.210 1.00 . A A . 2 CYS H 1 1
10 1671 1 1 2 CYS HA H 3.566 4.007 -1.501 1.00 . A A . 2 CYS HA 1 1
10 1672 1 1 2 CYS HB2 H 5.372 2.786 0.597 1.00 . A A . 2 CYS HB2 1 1
10 1673 1 1 2 CYS HB3 H 5.417 4.468 0.081 1.00 . A A . 2 CYS HB3 1 1
10 1674 1 1 2 CYS N N 3.363 2.016 -1.000 1.00 . A A . 2 CYS N 1 1
10 1675 1 1 2 CYS O O 5.532 1.847 -2.601 1.00 . A A . 2 CYS O 1 1
10 1676 1 1 2 CYS SG S 3.534 4.024 1.473 1.00 . A A . 2 CYS SG 1 1
10 1677 1 1 3 PHE C C 8.188 5.008 -3.150 1.00 . A A . 3 PHE C 1 1
10 1678 1 1 3 PHE CA C 7.130 3.949 -3.442 1.00 . A A . 3 PHE CA 1 1
10 1679 1 1 3 PHE CB C 6.609 4.112 -4.872 1.00 . A A . 3 PHE CB 1 1
10 1680 1 1 3 PHE CD1 C 4.120 3.793 -4.869 1.00 . A A . 3 PHE CD1 1 1
10 1681 1 1 3 PHE CD2 C 4.979 6.008 -5.083 1.00 . A A . 3 PHE CD2 1 1
10 1682 1 1 3 PHE CE1 C 2.830 4.284 -4.933 1.00 . A A . 3 PHE CE1 1 1
10 1683 1 1 3 PHE CE2 C 3.691 6.504 -5.148 1.00 . A A . 3 PHE CE2 1 1
10 1684 1 1 3 PHE CG C 5.208 4.648 -4.942 1.00 . A A . 3 PHE CG 1 1
10 1685 1 1 3 PHE CZ C 2.615 5.641 -5.074 1.00 . A A . 3 PHE CZ 1 1
10 1686 1 1 3 PHE H H 5.809 4.908 -2.093 1.00 . A A . 3 PHE H 1 1
10 1687 1 1 3 PHE HA H 7.577 2.973 -3.340 1.00 . A A . 3 PHE HA 1 1
10 1688 1 1 3 PHE HB2 H 7.253 4.795 -5.406 1.00 . A A . 3 PHE HB2 1 1
10 1689 1 1 3 PHE HB3 H 6.624 3.151 -5.364 1.00 . A A . 3 PHE HB3 1 1
10 1690 1 1 3 PHE HD1 H 4.288 2.731 -4.759 1.00 . A A . 3 PHE HD1 1 1
10 1691 1 1 3 PHE HD2 H 5.819 6.684 -5.142 1.00 . A A . 3 PHE HD2 1 1
10 1692 1 1 3 PHE HE1 H 1.991 3.606 -4.875 1.00 . A A . 3 PHE HE1 1 1
10 1693 1 1 3 PHE HE2 H 3.525 7.565 -5.258 1.00 . A A . 3 PHE HE2 1 1
10 1694 1 1 3 PHE HZ H 1.607 6.026 -5.123 1.00 . A A . 3 PHE HZ 1 1
10 1695 1 1 3 PHE N N 6.029 4.038 -2.490 1.00 . A A . 3 PHE N 1 1
10 1696 1 1 3 PHE O O 7.867 6.146 -2.803 1.00 . A A . 3 PHE O 1 1
10 1697 1 1 4 LEU C C 10.657 6.593 -4.147 1.00 . A A . 4 LEU C 1 1
10 1698 1 1 4 LEU CA C 10.561 5.543 -3.045 1.00 . A A . 4 LEU CA 1 1
10 1699 1 1 4 LEU CB C 11.876 4.768 -2.946 1.00 . A A . 4 LEU CB 1 1
10 1700 1 1 4 LEU CD1 C 13.373 6.633 -2.194 1.00 . A A . 4 LEU CD1 1 1
10 1701 1 1 4 LEU CD2 C 14.349 4.633 -3.335 1.00 . A A . 4 LEU CD2 1 1
10 1702 1 1 4 LEU CG C 13.147 5.563 -3.250 1.00 . A A . 4 LEU CG 1 1
10 1703 1 1 4 LEU H H 9.647 3.708 -3.572 1.00 . A A . 4 LEU H 1 1
10 1704 1 1 4 LEU HA H 10.375 6.041 -2.105 1.00 . A A . 4 LEU HA 1 1
10 1705 1 1 4 LEU HB2 H 11.959 4.384 -1.941 1.00 . A A . 4 LEU HB2 1 1
10 1706 1 1 4 LEU HB3 H 11.826 3.943 -3.642 1.00 . A A . 4 LEU HB3 1 1
10 1707 1 1 4 LEU HD11 H 14.421 6.672 -1.938 1.00 . A A . 4 LEU HD11 1 1
10 1708 1 1 4 LEU HD12 H 12.796 6.396 -1.312 1.00 . A A . 4 LEU HD12 1 1
10 1709 1 1 4 LEU HD13 H 13.060 7.592 -2.581 1.00 . A A . 4 LEU HD13 1 1
10 1710 1 1 4 LEU HD21 H 14.438 4.252 -4.342 1.00 . A A . 4 LEU HD21 1 1
10 1711 1 1 4 LEU HD22 H 14.217 3.810 -2.649 1.00 . A A . 4 LEU HD22 1 1
10 1712 1 1 4 LEU HD23 H 15.245 5.178 -3.076 1.00 . A A . 4 LEU HD23 1 1
10 1713 1 1 4 LEU HG H 13.036 6.056 -4.206 1.00 . A A . 4 LEU HG 1 1
10 1714 1 1 4 LEU N N 9.453 4.627 -3.293 1.00 . A A . 4 LEU N 1 1
10 1715 1 1 4 LEU O O 10.571 6.274 -5.333 1.00 . A A . 4 LEU O 1 1
10 1716 1 1 5 THR C C 12.184 9.793 -4.425 1.00 . A A . 5 THR C 1 1
10 1717 1 1 5 THR CA C 10.947 8.945 -4.701 1.00 . A A . 5 THR CA 1 1
10 1718 1 1 5 THR CB C 9.700 9.849 -4.663 1.00 . A A . 5 THR CB 1 1
10 1719 1 1 5 THR CG2 C 8.613 9.310 -5.579 1.00 . A A . 5 THR CG2 1 1
10 1720 1 1 5 THR H H 10.898 8.039 -2.789 1.00 . A A . 5 THR H 1 1
10 1721 1 1 5 THR HA H 11.028 8.520 -5.691 1.00 . A A . 5 THR HA 1 1
10 1722 1 1 5 THR HB H 9.980 10.836 -5.002 1.00 . A A . 5 THR HB 1 1
10 1723 1 1 5 THR HG1 H 9.036 10.859 -3.104 1.00 . A A . 5 THR HG1 1 1
10 1724 1 1 5 THR HG21 H 7.903 10.094 -5.796 1.00 . A A . 5 THR HG21 1 1
10 1725 1 1 5 THR HG22 H 8.106 8.489 -5.093 1.00 . A A . 5 THR HG22 1 1
10 1726 1 1 5 THR HG23 H 9.058 8.963 -6.500 1.00 . A A . 5 THR HG23 1 1
10 1727 1 1 5 THR N N 10.838 7.848 -3.748 1.00 . A A . 5 THR N 1 1
10 1728 1 1 5 THR O O 12.704 9.802 -3.309 1.00 . A A . 5 THR O 1 1
10 1729 1 1 5 THR OG1 O 9.201 9.938 -3.323 1.00 . A A . 5 THR OG1 1 1
10 1730 1 1 6 ARG C C 13.488 12.632 -4.551 1.00 . A A . 6 ARG C 1 1
10 1731 1 1 6 ARG CA C 13.825 11.354 -5.313 1.00 . A A . 6 ARG CA 1 1
10 1732 1 1 6 ARG CB C 14.387 11.703 -6.693 1.00 . A A . 6 ARG CB 1 1
10 1733 1 1 6 ARG CD C 14.820 9.273 -7.164 1.00 . A A . 6 ARG CD 1 1
10 1734 1 1 6 ARG CG C 14.258 10.578 -7.706 1.00 . A A . 6 ARG CG 1 1
10 1735 1 1 6 ARG CZ C 13.996 6.970 -6.911 1.00 . A A . 6 ARG CZ 1 1
10 1736 1 1 6 ARG H H 12.191 10.454 -6.312 1.00 . A A . 6 ARG H 1 1
10 1737 1 1 6 ARG HA H 14.571 10.804 -4.759 1.00 . A A . 6 ARG HA 1 1
10 1738 1 1 6 ARG HB2 H 13.861 12.565 -7.076 1.00 . A A . 6 ARG HB2 1 1
10 1739 1 1 6 ARG HB3 H 15.434 11.947 -6.590 1.00 . A A . 6 ARG HB3 1 1
10 1740 1 1 6 ARG HD2 H 15.528 8.878 -7.878 1.00 . A A . 6 ARG HD2 1 1
10 1741 1 1 6 ARG HD3 H 15.324 9.474 -6.231 1.00 . A A . 6 ARG HD3 1 1
10 1742 1 1 6 ARG HE H 12.861 8.606 -6.793 1.00 . A A . 6 ARG HE 1 1
10 1743 1 1 6 ARG HG2 H 13.213 10.436 -7.942 1.00 . A A . 6 ARG HG2 1 1
10 1744 1 1 6 ARG HG3 H 14.797 10.848 -8.601 1.00 . A A . 6 ARG HG3 1 1
10 1745 1 1 6 ARG HH11 H 15.980 7.130 -7.261 1.00 . A A . 6 ARG HH11 1 1
10 1746 1 1 6 ARG HH12 H 15.386 5.513 -7.080 1.00 . A A . 6 ARG HH12 1 1
10 1747 1 1 6 ARG HH21 H 12.068 6.481 -6.552 1.00 . A A . 6 ARG HH21 1 1
10 1748 1 1 6 ARG HH22 H 13.161 5.144 -6.678 1.00 . A A . 6 ARG HH22 1 1
10 1749 1 1 6 ARG N N 12.649 10.503 -5.447 1.00 . A A . 6 ARG N 1 1
10 1750 1 1 6 ARG NE N 13.774 8.280 -6.935 1.00 . A A . 6 ARG NE 1 1
10 1751 1 1 6 ARG NH1 N 15.221 6.499 -7.100 1.00 . A A . 6 ARG NH1 1 1
10 1752 1 1 6 ARG NH2 N 12.993 6.129 -6.696 1.00 . A A . 6 ARG NH2 1 1
10 1753 1 1 6 ARG O O 14.365 13.453 -4.275 1.00 . A A . 6 ARG O 1 1
10 1754 1 1 7 LEU C C 12.189 13.906 -2.021 1.00 . A A . 7 LEU C 1 1
10 1755 1 1 7 LEU CA C 11.760 13.973 -3.483 1.00 . A A . 7 LEU CA 1 1
10 1756 1 1 7 LEU CB C 10.239 14.100 -3.575 1.00 . A A . 7 LEU CB 1 1
10 1757 1 1 7 LEU CD1 C 9.027 15.883 -4.855 1.00 . A A . 7 LEU CD1 1 1
10 1758 1 1 7 LEU CD2 C 8.685 15.668 -2.387 1.00 . A A . 7 LEU CD2 1 1
10 1759 1 1 7 LEU CG C 9.680 15.522 -3.529 1.00 . A A . 7 LEU CG 1 1
10 1760 1 1 7 LEU H H 11.562 12.107 -4.461 1.00 . A A . 7 LEU H 1 1
10 1761 1 1 7 LEU HA H 12.214 14.841 -3.940 1.00 . A A . 7 LEU HA 1 1
10 1762 1 1 7 LEU HB2 H 9.925 13.651 -4.505 1.00 . A A . 7 LEU HB2 1 1
10 1763 1 1 7 LEU HB3 H 9.811 13.549 -2.749 1.00 . A A . 7 LEU HB3 1 1
10 1764 1 1 7 LEU HD11 H 8.274 15.149 -5.096 1.00 . A A . 7 LEU HD11 1 1
10 1765 1 1 7 LEU HD12 H 9.777 15.898 -5.632 1.00 . A A . 7 LEU HD12 1 1
10 1766 1 1 7 LEU HD13 H 8.570 16.858 -4.778 1.00 . A A . 7 LEU HD13 1 1
10 1767 1 1 7 LEU HD21 H 9.130 15.301 -1.474 1.00 . A A . 7 LEU HD21 1 1
10 1768 1 1 7 LEU HD22 H 7.796 15.097 -2.609 1.00 . A A . 7 LEU HD22 1 1
10 1769 1 1 7 LEU HD23 H 8.424 16.709 -2.267 1.00 . A A . 7 LEU HD23 1 1
10 1770 1 1 7 LEU HG H 10.491 16.216 -3.358 1.00 . A A . 7 LEU HG 1 1
10 1771 1 1 7 LEU N N 12.214 12.795 -4.214 1.00 . A A . 7 LEU N 1 1
10 1772 1 1 7 LEU O O 12.356 14.933 -1.365 1.00 . A A . 7 LEU O 1 1
10 1773 1 1 8 GLY C C 12.826 11.051 0.270 1.00 . A A . 8 GLY C 1 1
10 1774 1 1 8 GLY CA C 12.779 12.510 -0.137 1.00 . A A . 8 GLY CA 1 1
10 1775 1 1 8 GLY H H 12.222 11.906 -2.088 1.00 . A A . 8 GLY H 1 1
10 1776 1 1 8 GLY HA2 H 13.760 12.942 -0.006 1.00 . A A . 8 GLY HA2 1 1
10 1777 1 1 8 GLY HA3 H 12.081 13.029 0.504 1.00 . A A . 8 GLY HA3 1 1
10 1778 1 1 8 GLY N N 12.369 12.689 -1.517 1.00 . A A . 8 GLY N 1 1
10 1779 1 1 8 GLY O O 13.891 10.520 0.588 1.00 . A A . 8 GLY O 1 1
10 1780 1 1 9 THR C C 10.264 8.381 0.168 1.00 . A A . 9 THR C 1 1
10 1781 1 1 9 THR CA C 11.579 8.993 0.636 1.00 . A A . 9 THR CA 1 1
10 1782 1 1 9 THR CB C 11.704 8.808 2.160 1.00 . A A . 9 THR CB 1 1
10 1783 1 1 9 THR CG2 C 12.860 7.878 2.500 1.00 . A A . 9 THR CG2 1 1
10 1784 1 1 9 THR H H 10.853 10.876 0.000 1.00 . A A . 9 THR H 1 1
10 1785 1 1 9 THR HA H 12.398 8.470 0.163 1.00 . A A . 9 THR HA 1 1
10 1786 1 1 9 THR HB H 10.788 8.370 2.531 1.00 . A A . 9 THR HB 1 1
10 1787 1 1 9 THR HG1 H 11.295 10.168 3.529 1.00 . A A . 9 THR HG1 1 1
10 1788 1 1 9 THR HG21 H 12.500 6.861 2.549 1.00 . A A . 9 THR HG21 1 1
10 1789 1 1 9 THR HG22 H 13.279 8.159 3.454 1.00 . A A . 9 THR HG22 1 1
10 1790 1 1 9 THR HG23 H 13.619 7.955 1.736 1.00 . A A . 9 THR HG23 1 1
10 1791 1 1 9 THR N N 11.667 10.399 0.263 1.00 . A A . 9 THR N 1 1
10 1792 1 1 9 THR O O 9.522 8.993 -0.600 1.00 . A A . 9 THR O 1 1
10 1793 1 1 9 THR OG1 O 11.905 10.077 2.793 1.00 . A A . 9 THR OG1 1 1
10 1794 1 1 10 TYR C C 7.545 7.393 0.395 1.00 . A A . 10 TYR C 1 1
10 1795 1 1 10 TYR CA C 8.756 6.474 0.262 1.00 . A A . 10 TYR CA 1 1
10 1796 1 1 10 TYR CB C 8.564 5.231 1.133 1.00 . A A . 10 TYR CB 1 1
10 1797 1 1 10 TYR CD1 C 9.951 3.839 -0.453 1.00 . A A . 10 TYR CD1 1 1
10 1798 1 1 10 TYR CD2 C 8.081 2.809 0.607 1.00 . A A . 10 TYR CD2 1 1
10 1799 1 1 10 TYR CE1 C 10.235 2.658 -1.111 1.00 . A A . 10 TYR CE1 1 1
10 1800 1 1 10 TYR CE2 C 8.359 1.624 -0.046 1.00 . A A . 10 TYR CE2 1 1
10 1801 1 1 10 TYR CG C 8.871 3.936 0.416 1.00 . A A . 10 TYR CG 1 1
10 1802 1 1 10 TYR CZ C 9.436 1.553 -0.904 1.00 . A A . 10 TYR CZ 1 1
10 1803 1 1 10 TYR H H 10.612 6.732 1.243 1.00 . A A . 10 TYR H 1 1
10 1804 1 1 10 TYR HA H 8.849 6.167 -0.770 1.00 . A A . 10 TYR HA 1 1
10 1805 1 1 10 TYR HB2 H 9.216 5.297 1.990 1.00 . A A . 10 TYR HB2 1 1
10 1806 1 1 10 TYR HB3 H 7.539 5.190 1.469 1.00 . A A . 10 TYR HB3 1 1
10 1807 1 1 10 TYR HD1 H 10.575 4.707 -0.614 1.00 . A A . 10 TYR HD1 1 1
10 1808 1 1 10 TYR HD2 H 7.238 2.868 1.279 1.00 . A A . 10 TYR HD2 1 1
10 1809 1 1 10 TYR HE1 H 11.079 2.603 -1.783 1.00 . A A . 10 TYR HE1 1 1
10 1810 1 1 10 TYR HE2 H 7.733 0.758 0.116 1.00 . A A . 10 TYR HE2 1 1
10 1811 1 1 10 TYR HH H 8.895 -0.087 -1.748 1.00 . A A . 10 TYR HH 1 1
10 1812 1 1 10 TYR N N 9.981 7.170 0.635 1.00 . A A . 10 TYR N 1 1
10 1813 1 1 10 TYR O O 7.325 8.002 1.442 1.00 . A A . 10 TYR O 1 1
10 1814 1 1 10 TYR OH O 9.715 0.374 -1.557 1.00 . A A . 10 TYR OH 1 1
10 1815 1 1 11 VAL C C 4.397 7.619 -1.339 1.00 . A A . 11 VAL C 1 1
10 1816 1 1 11 VAL CA C 5.572 8.331 -0.679 1.00 . A A . 11 VAL CA 1 1
10 1817 1 1 11 VAL CB C 5.829 9.661 -1.412 1.00 . A A . 11 VAL CB 1 1
10 1818 1 1 11 VAL CG1 C 6.402 9.405 -2.798 1.00 . A A . 11 VAL CG1 1 1
10 1819 1 1 11 VAL CG2 C 4.549 10.478 -1.497 1.00 . A A . 11 VAL CG2 1 1
10 1820 1 1 11 VAL H H 6.989 6.978 -1.481 1.00 . A A . 11 VAL H 1 1
10 1821 1 1 11 VAL HA H 5.316 8.553 0.347 1.00 . A A . 11 VAL HA 1 1
10 1822 1 1 11 VAL HB H 6.555 10.226 -0.846 1.00 . A A . 11 VAL HB 1 1
10 1823 1 1 11 VAL HG11 H 7.269 8.767 -2.716 1.00 . A A . 11 VAL HG11 1 1
10 1824 1 1 11 VAL HG12 H 5.656 8.924 -3.413 1.00 . A A . 11 VAL HG12 1 1
10 1825 1 1 11 VAL HG13 H 6.688 10.345 -3.248 1.00 . A A . 11 VAL HG13 1 1
10 1826 1 1 11 VAL HG21 H 3.948 10.118 -2.319 1.00 . A A . 11 VAL HG21 1 1
10 1827 1 1 11 VAL HG22 H 3.995 10.377 -0.575 1.00 . A A . 11 VAL HG22 1 1
10 1828 1 1 11 VAL HG23 H 4.794 11.517 -1.657 1.00 . A A . 11 VAL HG23 1 1
10 1829 1 1 11 VAL N N 6.762 7.488 -0.675 1.00 . A A . 11 VAL N 1 1
10 1830 1 1 11 VAL O O 4.537 7.025 -2.409 1.00 . A A . 11 VAL O 1 1
10 1831 1 1 12 CYS C C 0.859 8.016 -1.218 1.00 . A A . 12 CYS C 1 1
10 1832 1 1 12 CYS CA C 2.035 7.043 -1.217 1.00 . A A . 12 CYS CA 1 1
10 1833 1 1 12 CYS CB C 1.687 5.806 -0.388 1.00 . A A . 12 CYS CB 1 1
10 1834 1 1 12 CYS H H 3.187 8.170 0.155 1.00 . A A . 12 CYS H 1 1
10 1835 1 1 12 CYS HA H 2.235 6.740 -2.234 1.00 . A A . 12 CYS HA 1 1
10 1836 1 1 12 CYS HB2 H 0.632 5.823 -0.154 1.00 . A A . 12 CYS HB2 1 1
10 1837 1 1 12 CYS HB3 H 1.908 4.921 -0.966 1.00 . A A . 12 CYS HB3 1 1
10 1838 1 1 12 CYS N N 3.237 7.682 -0.694 1.00 . A A . 12 CYS N 1 1
10 1839 1 1 12 CYS O O 0.446 8.505 -2.270 1.00 . A A . 12 CYS O 1 1
10 1840 1 1 12 CYS SG S 2.599 5.684 1.185 1.00 . A A . 12 CYS SG 1 1
11 1841 1 1 1 ALA C C 4.032 0.751 -0.521 1.00 . A A . 1 ALA C 1 1
11 1842 1 1 1 ALA CA C 3.074 -0.431 -0.407 1.00 . A A . 1 ALA CA 1 1
11 1843 1 1 1 ALA CB C 3.843 -1.709 -0.107 1.00 . A A . 1 ALA CB 1 1
11 1844 1 1 1 ALA H1 H 2.081 0.202 -2.165 1.00 . A A . 1 ALA H1 1 1
11 1845 1 1 1 ALA HA H 2.391 -0.250 0.410 1.00 . A A . 1 ALA HA 1 1
11 1846 1 1 1 ALA HB1 H 3.187 -2.559 -0.226 1.00 . A A . 1 ALA HB1 1 1
11 1847 1 1 1 ALA HB2 H 4.675 -1.797 -0.790 1.00 . A A . 1 ALA HB2 1 1
11 1848 1 1 1 ALA HB3 H 4.211 -1.677 0.908 1.00 . A A . 1 ALA HB3 1 1
11 1849 1 1 1 ALA N N 2.288 -0.588 -1.625 1.00 . A A . 1 ALA N 1 1
11 1850 1 1 1 ALA O O 5.226 0.624 -0.249 1.00 . A A . 1 ALA O 1 1
11 1851 1 1 2 CYS C C 5.426 2.886 -2.090 1.00 . A A . 2 CYS C 1 1
11 1852 1 1 2 CYS CA C 4.307 3.104 -1.076 1.00 . A A . 2 CYS CA 1 1
11 1853 1 1 2 CYS CB C 4.900 3.519 0.272 1.00 . A A . 2 CYS CB 1 1
11 1854 1 1 2 CYS H H 2.541 1.939 -1.127 1.00 . A A . 2 CYS H 1 1
11 1855 1 1 2 CYS HA H 3.663 3.893 -1.433 1.00 . A A . 2 CYS HA 1 1
11 1856 1 1 2 CYS HB2 H 5.509 2.711 0.653 1.00 . A A . 2 CYS HB2 1 1
11 1857 1 1 2 CYS HB3 H 5.519 4.393 0.132 1.00 . A A . 2 CYS HB3 1 1
11 1858 1 1 2 CYS N N 3.500 1.900 -0.925 1.00 . A A . 2 CYS N 1 1
11 1859 1 1 2 CYS O O 5.658 1.765 -2.544 1.00 . A A . 2 CYS O 1 1
11 1860 1 1 2 CYS SG S 3.655 3.917 1.541 1.00 . A A . 2 CYS SG 1 1
11 1861 1 1 3 PHE C C 8.254 4.971 -3.123 1.00 . A A . 3 PHE C 1 1
11 1862 1 1 3 PHE CA C 7.212 3.892 -3.403 1.00 . A A . 3 PHE CA 1 1
11 1863 1 1 3 PHE CB C 6.677 4.042 -4.829 1.00 . A A . 3 PHE CB 1 1
11 1864 1 1 3 PHE CD1 C 5.011 5.907 -5.029 1.00 . A A . 3 PHE CD1 1 1
11 1865 1 1 3 PHE CD2 C 4.195 3.678 -4.806 1.00 . A A . 3 PHE CD2 1 1
11 1866 1 1 3 PHE CE1 C 3.713 6.380 -5.086 1.00 . A A . 3 PHE CE1 1 1
11 1867 1 1 3 PHE CE2 C 2.895 4.145 -4.862 1.00 . A A . 3 PHE CE2 1 1
11 1868 1 1 3 PHE CG C 5.266 4.552 -4.889 1.00 . A A . 3 PHE CG 1 1
11 1869 1 1 3 PHE CZ C 2.654 5.498 -5.001 1.00 . A A . 3 PHE CZ 1 1
11 1870 1 1 3 PHE H H 5.886 4.831 -2.045 1.00 . A A . 3 PHE H 1 1
11 1871 1 1 3 PHE HA H 7.677 2.924 -3.301 1.00 . A A . 3 PHE HA 1 1
11 1872 1 1 3 PHE HB2 H 7.304 4.734 -5.370 1.00 . A A . 3 PHE HB2 1 1
11 1873 1 1 3 PHE HB3 H 6.705 3.080 -5.318 1.00 . A A . 3 PHE HB3 1 1
11 1874 1 1 3 PHE HD1 H 5.839 6.598 -5.096 1.00 . A A . 3 PHE HD1 1 1
11 1875 1 1 3 PHE HD2 H 4.381 2.619 -4.696 1.00 . A A . 3 PHE HD2 1 1
11 1876 1 1 3 PHE HE1 H 3.529 7.439 -5.195 1.00 . A A . 3 PHE HE1 1 1
11 1877 1 1 3 PHE HE2 H 2.069 3.453 -4.795 1.00 . A A . 3 PHE HE2 1 1
11 1878 1 1 3 PHE HZ H 1.640 5.865 -5.046 1.00 . A A . 3 PHE HZ 1 1
11 1879 1 1 3 PHE N N 6.118 3.965 -2.442 1.00 . A A . 3 PHE N 1 1
11 1880 1 1 3 PHE O O 7.915 6.103 -2.776 1.00 . A A . 3 PHE O 1 1
11 1881 1 1 4 LEU C C 10.684 6.599 -4.144 1.00 . A A . 4 LEU C 1 1
11 1882 1 1 4 LEU CA C 10.618 5.548 -3.040 1.00 . A A . 4 LEU CA 1 1
11 1883 1 1 4 LEU CB C 11.948 4.798 -2.954 1.00 . A A . 4 LEU CB 1 1
11 1884 1 1 4 LEU CD1 C 13.417 6.694 -2.225 1.00 . A A . 4 LEU CD1 1 1
11 1885 1 1 4 LEU CD2 C 14.419 4.707 -3.367 1.00 . A A . 4 LEU CD2 1 1
11 1886 1 1 4 LEU CG C 13.201 5.614 -3.274 1.00 . A A . 4 LEU CG 1 1
11 1887 1 1 4 LEU H H 9.732 3.696 -3.555 1.00 . A A . 4 LEU H 1 1
11 1888 1 1 4 LEU HA H 10.431 6.044 -2.099 1.00 . A A . 4 LEU HA 1 1
11 1889 1 1 4 LEU HB2 H 12.049 4.419 -1.948 1.00 . A A . 4 LEU HB2 1 1
11 1890 1 1 4 LEU HB3 H 11.905 3.970 -3.647 1.00 . A A . 4 LEU HB3 1 1
11 1891 1 1 4 LEU HD11 H 14.080 7.450 -2.619 1.00 . A A . 4 LEU HD11 1 1
11 1892 1 1 4 LEU HD12 H 13.856 6.255 -1.342 1.00 . A A . 4 LEU HD12 1 1
11 1893 1 1 4 LEU HD13 H 12.468 7.143 -1.970 1.00 . A A . 4 LEU HD13 1 1
11 1894 1 1 4 LEU HD21 H 14.507 4.326 -4.374 1.00 . A A . 4 LEU HD21 1 1
11 1895 1 1 4 LEU HD22 H 14.306 3.882 -2.679 1.00 . A A . 4 LEU HD22 1 1
11 1896 1 1 4 LEU HD23 H 15.306 5.268 -3.116 1.00 . A A . 4 LEU HD23 1 1
11 1897 1 1 4 LEU HG H 13.071 6.101 -4.231 1.00 . A A . 4 LEU HG 1 1
11 1898 1 1 4 LEU N N 9.524 4.612 -3.276 1.00 . A A . 4 LEU N 1 1
11 1899 1 1 4 LEU O O 10.587 6.277 -5.329 1.00 . A A . 4 LEU O 1 1
11 1900 1 1 5 THR C C 12.158 9.820 -4.444 1.00 . A A . 5 THR C 1 1
11 1901 1 1 5 THR CA C 10.931 8.955 -4.703 1.00 . A A . 5 THR CA 1 1
11 1902 1 1 5 THR CB C 9.671 9.840 -4.649 1.00 . A A . 5 THR CB 1 1
11 1903 1 1 5 THR CG2 C 8.580 9.284 -5.551 1.00 . A A . 5 THR CG2 1 1
11 1904 1 1 5 THR H H 10.920 8.050 -2.790 1.00 . A A . 5 THR H 1 1
11 1905 1 1 5 THR HA H 11.004 8.530 -5.694 1.00 . A A . 5 THR HA 1 1
11 1906 1 1 5 THR HB H 9.931 10.831 -4.992 1.00 . A A . 5 THR HB 1 1
11 1907 1 1 5 THR HG1 H 9.239 9.057 -2.891 1.00 . A A . 5 THR HG1 1 1
11 1908 1 1 5 THR HG21 H 7.855 10.057 -5.758 1.00 . A A . 5 THR HG21 1 1
11 1909 1 1 5 THR HG22 H 8.093 8.455 -5.059 1.00 . A A . 5 THR HG22 1 1
11 1910 1 1 5 THR HG23 H 9.018 8.945 -6.478 1.00 . A A . 5 THR HG23 1 1
11 1911 1 1 5 THR N N 10.850 7.857 -3.748 1.00 . A A . 5 THR N 1 1
11 1912 1 1 5 THR O O 12.694 9.838 -3.336 1.00 . A A . 5 THR O 1 1
11 1913 1 1 5 THR OG1 O 9.188 9.923 -3.304 1.00 . A A . 5 THR OG1 1 1
11 1914 1 1 6 ARG C C 13.417 12.681 -4.591 1.00 . A A . 6 ARG C 1 1
11 1915 1 1 6 ARG CA C 13.763 11.407 -5.355 1.00 . A A . 6 ARG CA 1 1
11 1916 1 1 6 ARG CB C 14.303 11.762 -6.742 1.00 . A A . 6 ARG CB 1 1
11 1917 1 1 6 ARG CD C 14.765 9.337 -7.216 1.00 . A A . 6 ARG CD 1 1
11 1918 1 1 6 ARG CG C 14.176 10.633 -7.752 1.00 . A A . 6 ARG CG 1 1
11 1919 1 1 6 ARG CZ C 13.981 7.023 -6.949 1.00 . A A . 6 ARG CZ 1 1
11 1920 1 1 6 ARG H H 12.128 10.482 -6.331 1.00 . A A . 6 ARG H 1 1
11 1921 1 1 6 ARG HA H 14.524 10.869 -4.809 1.00 . A A . 6 ARG HA 1 1
11 1922 1 1 6 ARG HB2 H 13.759 12.615 -7.119 1.00 . A A . 6 ARG HB2 1 1
11 1923 1 1 6 ARG HB3 H 15.347 12.021 -6.653 1.00 . A A . 6 ARG HB3 1 1
11 1924 1 1 6 ARG HD2 H 15.470 8.952 -7.938 1.00 . A A . 6 ARG HD2 1 1
11 1925 1 1 6 ARG HD3 H 15.278 9.547 -6.289 1.00 . A A . 6 ARG HD3 1 1
11 1926 1 1 6 ARG HE H 12.822 8.641 -6.821 1.00 . A A . 6 ARG HE 1 1
11 1927 1 1 6 ARG HG2 H 13.131 10.475 -7.973 1.00 . A A . 6 ARG HG2 1 1
11 1928 1 1 6 ARG HG3 H 14.700 10.910 -8.655 1.00 . A A . 6 ARG HG3 1 1
11 1929 1 1 6 ARG HH11 H 15.958 7.213 -7.322 1.00 . A A . 6 ARG HH11 1 1
11 1930 1 1 6 ARG HH12 H 15.392 5.587 -7.131 1.00 . A A . 6 ARG HH12 1 1
11 1931 1 1 6 ARG HH21 H 12.065 6.504 -6.568 1.00 . A A . 6 ARG HH21 1 1
11 1932 1 1 6 ARG HH22 H 13.178 5.184 -6.703 1.00 . A A . 6 ARG HH22 1 1
11 1933 1 1 6 ARG N N 12.598 10.538 -5.472 1.00 . A A . 6 ARG N 1 1
11 1934 1 1 6 ARG NE N 13.738 8.328 -6.973 1.00 . A A . 6 ARG NE 1 1
11 1935 1 1 6 ARG NH1 N 15.211 6.570 -7.151 1.00 . A A . 6 ARG NH1 1 1
11 1936 1 1 6 ARG NH2 N 12.993 6.166 -6.721 1.00 . A A . 6 ARG NH2 1 1
11 1937 1 1 6 ARG O O 14.284 13.517 -4.330 1.00 . A A . 6 ARG O 1 1
11 1938 1 1 7 LEU C C 12.131 13.938 -2.043 1.00 . A A . 7 LEU C 1 1
11 1939 1 1 7 LEU CA C 11.683 13.997 -3.500 1.00 . A A . 7 LEU CA 1 1
11 1940 1 1 7 LEU CB C 10.159 14.100 -3.573 1.00 . A A . 7 LEU CB 1 1
11 1941 1 1 7 LEU CD1 C 8.524 15.703 -4.594 1.00 . A A . 7 LEU CD1 1 1
11 1942 1 1 7 LEU CD2 C 8.993 15.794 -2.139 1.00 . A A . 7 LEU CD2 1 1
11 1943 1 1 7 LEU CG C 9.579 15.514 -3.515 1.00 . A A . 7 LEU CG 1 1
11 1944 1 1 7 LEU H H 11.501 12.124 -4.470 1.00 . A A . 7 LEU H 1 1
11 1945 1 1 7 LEU HA H 12.118 14.870 -3.963 1.00 . A A . 7 LEU HA 1 1
11 1946 1 1 7 LEU HB2 H 9.841 13.651 -4.501 1.00 . A A . 7 LEU HB2 1 1
11 1947 1 1 7 LEU HB3 H 9.750 13.540 -2.744 1.00 . A A . 7 LEU HB3 1 1
11 1948 1 1 7 LEU HD11 H 8.103 16.694 -4.516 1.00 . A A . 7 LEU HD11 1 1
11 1949 1 1 7 LEU HD12 H 7.742 14.969 -4.465 1.00 . A A . 7 LEU HD12 1 1
11 1950 1 1 7 LEU HD13 H 8.977 15.579 -5.566 1.00 . A A . 7 LEU HD13 1 1
11 1951 1 1 7 LEU HD21 H 8.542 14.894 -1.750 1.00 . A A . 7 LEU HD21 1 1
11 1952 1 1 7 LEU HD22 H 8.243 16.568 -2.218 1.00 . A A . 7 LEU HD22 1 1
11 1953 1 1 7 LEU HD23 H 9.778 16.121 -1.473 1.00 . A A . 7 LEU HD23 1 1
11 1954 1 1 7 LEU HG H 10.371 16.229 -3.694 1.00 . A A . 7 LEU HG 1 1
11 1955 1 1 7 LEU N N 12.145 12.824 -4.235 1.00 . A A . 7 LEU N 1 1
11 1956 1 1 7 LEU O O 12.294 14.969 -1.391 1.00 . A A . 7 LEU O 1 1
11 1957 1 1 8 GLY C C 12.833 11.096 0.245 1.00 . A A . 8 GLY C 1 1
11 1958 1 1 8 GLY CA C 12.762 12.554 -0.163 1.00 . A A . 8 GLY CA 1 1
11 1959 1 1 8 GLY H H 12.187 11.938 -2.106 1.00 . A A . 8 GLY H 1 1
11 1960 1 1 8 GLY HA2 H 13.738 12.999 -0.045 1.00 . A A . 8 GLY HA2 1 1
11 1961 1 1 8 GLY HA3 H 12.064 13.064 0.485 1.00 . A A . 8 GLY HA3 1 1
11 1962 1 1 8 GLY N N 12.332 12.724 -1.539 1.00 . A A . 8 GLY N 1 1
11 1963 1 1 8 GLY O O 13.909 10.582 0.555 1.00 . A A . 8 GLY O 1 1
11 1964 1 1 9 THR C C 10.311 8.388 0.169 1.00 . A A . 9 THR C 1 1
11 1965 1 1 9 THR CA C 11.621 9.020 0.626 1.00 . A A . 9 THR CA 1 1
11 1966 1 1 9 THR CB C 11.761 8.840 2.149 1.00 . A A . 9 THR CB 1 1
11 1967 1 1 9 THR CG2 C 12.933 7.929 2.480 1.00 . A A . 9 THR CG2 1 1
11 1968 1 1 9 THR H H 10.861 10.892 -0.008 1.00 . A A . 9 THR H 1 1
11 1969 1 1 9 THR HA H 12.443 8.509 0.146 1.00 . A A . 9 THR HA 1 1
11 1970 1 1 9 THR HB H 10.855 8.388 2.527 1.00 . A A . 9 THR HB 1 1
11 1971 1 1 9 THR HG1 H 11.158 10.341 3.277 1.00 . A A . 9 THR HG1 1 1
11 1972 1 1 9 THR HG21 H 12.592 6.906 2.530 1.00 . A A . 9 THR HG21 1 1
11 1973 1 1 9 THR HG22 H 13.353 8.216 3.433 1.00 . A A . 9 THR HG22 1 1
11 1974 1 1 9 THR HG23 H 13.687 8.020 1.713 1.00 . A A . 9 THR HG23 1 1
11 1975 1 1 9 THR N N 11.685 10.427 0.249 1.00 . A A . 9 THR N 1 1
11 1976 1 1 9 THR O O 9.553 8.988 -0.594 1.00 . A A . 9 THR O 1 1
11 1977 1 1 9 THR OG1 O 11.946 10.113 2.778 1.00 . A A . 9 THR OG1 1 1
11 1978 1 1 10 TYR C C 7.609 7.360 0.419 1.00 . A A . 10 TYR C 1 1
11 1979 1 1 10 TYR CA C 8.832 6.458 0.278 1.00 . A A . 10 TYR CA 1 1
11 1980 1 1 10 TYR CB C 8.667 5.215 1.153 1.00 . A A . 10 TYR CB 1 1
11 1981 1 1 10 TYR CD1 C 10.066 3.842 -0.440 1.00 . A A . 10 TYR CD1 1 1
11 1982 1 1 10 TYR CD2 C 8.220 2.784 0.635 1.00 . A A . 10 TYR CD2 1 1
11 1983 1 1 10 TYR CE1 C 10.365 2.665 -1.097 1.00 . A A . 10 TYR CE1 1 1
11 1984 1 1 10 TYR CE2 C 8.512 1.602 -0.017 1.00 . A A . 10 TYR CE2 1 1
11 1985 1 1 10 TYR CG C 8.990 3.923 0.436 1.00 . A A . 10 TYR CG 1 1
11 1986 1 1 10 TYR CZ C 9.586 1.547 -0.882 1.00 . A A . 10 TYR CZ 1 1
11 1987 1 1 10 TYR H H 10.693 6.746 1.244 1.00 . A A . 10 TYR H 1 1
11 1988 1 1 10 TYR HA H 8.922 6.151 -0.754 1.00 . A A . 10 TYR HA 1 1
11 1989 1 1 10 TYR HB2 H 9.322 5.293 2.006 1.00 . A A . 10 TYR HB2 1 1
11 1990 1 1 10 TYR HB3 H 7.644 5.157 1.495 1.00 . A A . 10 TYR HB3 1 1
11 1991 1 1 10 TYR HD1 H 10.674 4.719 -0.606 1.00 . A A . 10 TYR HD1 1 1
11 1992 1 1 10 TYR HD2 H 7.380 2.830 1.312 1.00 . A A . 10 TYR HD2 1 1
11 1993 1 1 10 TYR HE1 H 11.205 2.621 -1.774 1.00 . A A . 10 TYR HE1 1 1
11 1994 1 1 10 TYR HE2 H 7.902 0.727 0.151 1.00 . A A . 10 TYR HE2 1 1
11 1995 1 1 10 TYR HH H 10.586 0.524 -2.166 1.00 . A A . 10 TYR HH 1 1
11 1996 1 1 10 TYR N N 10.050 7.173 0.640 1.00 . A A . 10 TYR N 1 1
11 1997 1 1 10 TYR O O 7.396 7.979 1.461 1.00 . A A . 10 TYR O 1 1
11 1998 1 1 10 TYR OH O 9.879 0.371 -1.534 1.00 . A A . 10 TYR OH 1 1
11 1999 1 1 11 VAL C C 4.435 7.520 -1.285 1.00 . A A . 11 VAL C 1 1
11 2000 1 1 11 VAL CA C 5.604 8.251 -0.635 1.00 . A A . 11 VAL CA 1 1
11 2001 1 1 11 VAL CB C 5.834 9.585 -1.371 1.00 . A A . 11 VAL CB 1 1
11 2002 1 1 11 VAL CG1 C 6.403 9.337 -2.760 1.00 . A A . 11 VAL CG1 1 1
11 2003 1 1 11 VAL CG2 C 4.539 10.379 -1.450 1.00 . A A . 11 VAL CG2 1 1
11 2004 1 1 11 VAL H H 7.030 6.911 -1.442 1.00 . A A . 11 VAL H 1 1
11 2005 1 1 11 VAL HA H 5.353 8.470 0.393 1.00 . A A . 11 VAL HA 1 1
11 2006 1 1 11 VAL HB H 6.553 10.163 -0.810 1.00 . A A . 11 VAL HB 1 1
11 2007 1 1 11 VAL HG11 H 5.654 8.859 -3.375 1.00 . A A . 11 VAL HG11 1 1
11 2008 1 1 11 VAL HG12 H 6.688 10.279 -3.205 1.00 . A A . 11 VAL HG12 1 1
11 2009 1 1 11 VAL HG13 H 7.269 8.697 -2.685 1.00 . A A . 11 VAL HG13 1 1
11 2010 1 1 11 VAL HG21 H 3.998 10.278 -0.521 1.00 . A A . 11 VAL HG21 1 1
11 2011 1 1 11 VAL HG22 H 4.766 11.422 -1.622 1.00 . A A . 11 VAL HG22 1 1
11 2012 1 1 11 VAL HG23 H 3.935 10.004 -2.262 1.00 . A A . 11 VAL HG23 1 1
11 2013 1 1 11 VAL N N 6.807 7.428 -0.639 1.00 . A A . 11 VAL N 1 1
11 2014 1 1 11 VAL O O 4.576 6.929 -2.356 1.00 . A A . 11 VAL O 1 1
11 2015 1 1 12 CYS C C 0.893 7.857 -1.136 1.00 . A A . 12 CYS C 1 1
11 2016 1 1 12 CYS CA C 2.085 6.904 -1.142 1.00 . A A . 12 CYS CA 1 1
11 2017 1 1 12 CYS CB C 1.763 5.663 -0.308 1.00 . A A . 12 CYS CB 1 1
11 2018 1 1 12 CYS H H 3.230 8.049 0.221 1.00 . A A . 12 CYS H 1 1
11 2019 1 1 12 CYS HA H 2.283 6.602 -2.160 1.00 . A A . 12 CYS HA 1 1
11 2020 1 1 12 CYS HB2 H 0.710 5.663 -0.067 1.00 . A A . 12 CYS HB2 1 1
11 2021 1 1 12 CYS HB3 H 1.995 4.780 -0.886 1.00 . A A . 12 CYS HB3 1 1
11 2022 1 1 12 CYS N N 3.280 7.563 -0.630 1.00 . A A . 12 CYS N 1 1
11 2023 1 1 12 CYS O O 0.865 8.826 -0.377 1.00 . A A . 12 CYS O 1 1
11 2024 1 1 12 CYS SG S 2.688 5.560 1.258 1.00 . A A . 12 CYS SG 1 1
12 2025 1 1 1 ALA C C 3.984 0.785 -0.509 1.00 . A A . 1 ALA C 1 1
12 2026 1 1 1 ALA CA C 3.022 -0.392 -0.393 1.00 . A A . 1 ALA CA 1 1
12 2027 1 1 1 ALA CB C 3.634 -1.495 0.457 1.00 . A A . 1 ALA CB 1 1
12 2028 1 1 1 ALA H1 H 2.083 -0.372 -2.290 1.00 . A A . 1 ALA H1 1 1
12 2029 1 1 1 ALA HA H 2.116 -0.057 0.093 1.00 . A A . 1 ALA HA 1 1
12 2030 1 1 1 ALA HB1 H 3.548 -1.232 1.502 1.00 . A A . 1 ALA HB1 1 1
12 2031 1 1 1 ALA HB2 H 3.111 -2.422 0.275 1.00 . A A . 1 ALA HB2 1 1
12 2032 1 1 1 ALA HB3 H 4.675 -1.612 0.199 1.00 . A A . 1 ALA HB3 1 1
12 2033 1 1 1 ALA N N 2.662 -0.907 -1.708 1.00 . A A . 1 ALA N 1 1
12 2034 1 1 1 ALA O O 5.178 0.653 -0.236 1.00 . A A . 1 ALA O 1 1
12 2035 1 1 2 CYS C C 5.390 2.911 -2.082 1.00 . A A . 2 CYS C 1 1
12 2036 1 1 2 CYS CA C 4.271 3.137 -1.069 1.00 . A A . 2 CYS CA 1 1
12 2037 1 1 2 CYS CB C 4.865 3.551 0.279 1.00 . A A . 2 CYS CB 1 1
12 2038 1 1 2 CYS H H 2.500 1.979 -1.118 1.00 . A A . 2 CYS H 1 1
12 2039 1 1 2 CYS HA H 3.631 3.927 -1.428 1.00 . A A . 2 CYS HA 1 1
12 2040 1 1 2 CYS HB2 H 5.469 2.742 0.662 1.00 . A A . 2 CYS HB2 1 1
12 2041 1 1 2 CYS HB3 H 5.488 4.422 0.137 1.00 . A A . 2 CYS HB3 1 1
12 2042 1 1 2 CYS N N 3.459 1.936 -0.915 1.00 . A A . 2 CYS N 1 1
12 2043 1 1 2 CYS O O 5.615 1.788 -2.534 1.00 . A A . 2 CYS O 1 1
12 2044 1 1 2 CYS SG S 3.621 3.959 1.546 1.00 . A A . 2 CYS SG 1 1
12 2045 1 1 3 PHE C C 8.229 4.980 -3.116 1.00 . A A . 3 PHE C 1 1
12 2046 1 1 3 PHE CA C 7.182 3.906 -3.395 1.00 . A A . 3 PHE CA 1 1
12 2047 1 1 3 PHE CB C 6.649 4.055 -4.821 1.00 . A A . 3 PHE CB 1 1
12 2048 1 1 3 PHE CD1 C 4.994 5.930 -5.028 1.00 . A A . 3 PHE CD1 1 1
12 2049 1 1 3 PHE CD2 C 4.164 3.706 -4.798 1.00 . A A . 3 PHE CD2 1 1
12 2050 1 1 3 PHE CE1 C 3.699 6.410 -5.086 1.00 . A A . 3 PHE CE1 1 1
12 2051 1 1 3 PHE CE2 C 2.867 4.181 -4.857 1.00 . A A . 3 PHE CE2 1 1
12 2052 1 1 3 PHE CG C 5.241 4.574 -4.884 1.00 . A A . 3 PHE CG 1 1
12 2053 1 1 3 PHE CZ C 2.635 5.535 -5.000 1.00 . A A . 3 PHE CZ 1 1
12 2054 1 1 3 PHE H H 5.860 4.854 -2.040 1.00 . A A . 3 PHE H 1 1
12 2055 1 1 3 PHE HA H 7.642 2.936 -3.291 1.00 . A A . 3 PHE HA 1 1
12 2056 1 1 3 PHE HB2 H 7.280 4.743 -5.364 1.00 . A A . 3 PHE HB2 1 1
12 2057 1 1 3 PHE HB3 H 6.671 3.092 -5.308 1.00 . A A . 3 PHE HB3 1 1
12 2058 1 1 3 PHE HD1 H 5.826 6.616 -5.096 1.00 . A A . 3 PHE HD1 1 1
12 2059 1 1 3 PHE HD2 H 4.344 2.647 -4.685 1.00 . A A . 3 PHE HD2 1 1
12 2060 1 1 3 PHE HE1 H 3.521 7.470 -5.198 1.00 . A A . 3 PHE HE1 1 1
12 2061 1 1 3 PHE HE2 H 2.037 3.494 -4.788 1.00 . A A . 3 PHE HE2 1 1
12 2062 1 1 3 PHE HZ H 1.623 5.908 -5.046 1.00 . A A . 3 PHE HZ 1 1
12 2063 1 1 3 PHE N N 6.087 3.986 -2.435 1.00 . A A . 3 PHE N 1 1
12 2064 1 1 3 PHE O O 7.895 6.115 -2.772 1.00 . A A . 3 PHE O 1 1
12 2065 1 1 4 LEU C C 10.667 6.594 -4.137 1.00 . A A . 4 LEU C 1 1
12 2066 1 1 4 LEU CA C 10.595 5.545 -3.031 1.00 . A A . 4 LEU CA 1 1
12 2067 1 1 4 LEU CB C 11.922 4.789 -2.944 1.00 . A A . 4 LEU CB 1 1
12 2068 1 1 4 LEU CD1 C 13.398 6.681 -2.220 1.00 . A A . 4 LEU CD1 1 1
12 2069 1 1 4 LEU CD2 C 14.393 4.685 -3.353 1.00 . A A . 4 LEU CD2 1 1
12 2070 1 1 4 LEU CG C 13.179 5.598 -3.265 1.00 . A A . 4 LEU CG 1 1
12 2071 1 1 4 LEU H H 9.701 3.697 -3.543 1.00 . A A . 4 LEU H 1 1
12 2072 1 1 4 LEU HA H 10.411 6.043 -2.091 1.00 . A A . 4 LEU HA 1 1
12 2073 1 1 4 LEU HB2 H 12.021 4.410 -1.938 1.00 . A A . 4 LEU HB2 1 1
12 2074 1 1 4 LEU HB3 H 11.875 3.960 -3.636 1.00 . A A . 4 LEU HB3 1 1
12 2075 1 1 4 LEU HD11 H 12.449 7.122 -1.954 1.00 . A A . 4 LEU HD11 1 1
12 2076 1 1 4 LEU HD12 H 14.049 7.443 -2.622 1.00 . A A . 4 LEU HD12 1 1
12 2077 1 1 4 LEU HD13 H 13.852 6.246 -1.341 1.00 . A A . 4 LEU HD13 1 1
12 2078 1 1 4 LEU HD21 H 14.480 4.299 -4.357 1.00 . A A . 4 LEU HD21 1 1
12 2079 1 1 4 LEU HD22 H 14.277 3.865 -2.660 1.00 . A A . 4 LEU HD22 1 1
12 2080 1 1 4 LEU HD23 H 15.282 5.245 -3.103 1.00 . A A . 4 LEU HD23 1 1
12 2081 1 1 4 LEU HG H 13.053 6.082 -4.224 1.00 . A A . 4 LEU HG 1 1
12 2082 1 1 4 LEU N N 9.497 4.614 -3.267 1.00 . A A . 4 LEU N 1 1
12 2083 1 1 4 LEU O O 10.568 6.271 -5.321 1.00 . A A . 4 LEU O 1 1
12 2084 1 1 5 THR C C 12.160 9.806 -4.442 1.00 . A A . 5 THR C 1 1
12 2085 1 1 5 THR CA C 10.927 8.947 -4.699 1.00 . A A . 5 THR CA 1 1
12 2086 1 1 5 THR CB C 9.673 9.841 -4.644 1.00 . A A . 5 THR CB 1 1
12 2087 1 1 5 THR CG2 C 8.579 9.292 -5.547 1.00 . A A . 5 THR CG2 1 1
12 2088 1 1 5 THR H H 10.913 8.045 -2.784 1.00 . A A . 5 THR H 1 1
12 2089 1 1 5 THR HA H 10.997 8.521 -5.689 1.00 . A A . 5 THR HA 1 1
12 2090 1 1 5 THR HB H 9.940 10.830 -4.987 1.00 . A A . 5 THR HB 1 1
12 2091 1 1 5 THR HG1 H 9.910 10.184 -2.717 1.00 . A A . 5 THR HG1 1 1
12 2092 1 1 5 THR HG21 H 7.860 10.071 -5.755 1.00 . A A . 5 THR HG21 1 1
12 2093 1 1 5 THR HG22 H 8.085 8.468 -5.055 1.00 . A A . 5 THR HG22 1 1
12 2094 1 1 5 THR HG23 H 9.015 8.949 -6.473 1.00 . A A . 5 THR HG23 1 1
12 2095 1 1 5 THR N N 10.841 7.852 -3.742 1.00 . A A . 5 THR N 1 1
12 2096 1 1 5 THR O O 12.698 9.821 -3.335 1.00 . A A . 5 THR O 1 1
12 2097 1 1 5 THR OG1 O 9.191 9.926 -3.299 1.00 . A A . 5 THR OG1 1 1
12 2098 1 1 6 ARG C C 13.436 12.660 -4.596 1.00 . A A . 6 ARG C 1 1
12 2099 1 1 6 ARG CA C 13.774 11.381 -5.357 1.00 . A A . 6 ARG CA 1 1
12 2100 1 1 6 ARG CB C 14.316 11.729 -6.744 1.00 . A A . 6 ARG CB 1 1
12 2101 1 1 6 ARG CD C 14.762 9.301 -7.213 1.00 . A A . 6 ARG CD 1 1
12 2102 1 1 6 ARG CG C 14.181 10.599 -7.752 1.00 . A A . 6 ARG CG 1 1
12 2103 1 1 6 ARG CZ C 13.965 6.991 -6.942 1.00 . A A . 6 ARG CZ 1 1
12 2104 1 1 6 ARG H H 12.132 10.466 -6.329 1.00 . A A . 6 ARG H 1 1
12 2105 1 1 6 ARG HA H 14.531 10.841 -4.809 1.00 . A A . 6 ARG HA 1 1
12 2106 1 1 6 ARG HB2 H 13.779 12.586 -7.124 1.00 . A A . 6 ARG HB2 1 1
12 2107 1 1 6 ARG HB3 H 15.362 11.980 -6.656 1.00 . A A . 6 ARG HB3 1 1
12 2108 1 1 6 ARG HD2 H 15.466 8.910 -7.934 1.00 . A A . 6 ARG HD2 1 1
12 2109 1 1 6 ARG HD3 H 15.275 9.509 -6.286 1.00 . A A . 6 ARG HD3 1 1
12 2110 1 1 6 ARG HE H 12.815 8.616 -6.819 1.00 . A A . 6 ARG HE 1 1
12 2111 1 1 6 ARG HG2 H 13.135 10.448 -7.971 1.00 . A A . 6 ARG HG2 1 1
12 2112 1 1 6 ARG HG3 H 14.706 10.870 -8.656 1.00 . A A . 6 ARG HG3 1 1
12 2113 1 1 6 ARG HH11 H 15.943 7.169 -7.312 1.00 . A A . 6 ARG HH11 1 1
12 2114 1 1 6 ARG HH12 H 15.368 5.547 -7.119 1.00 . A A . 6 ARG HH12 1 1
12 2115 1 1 6 ARG HH21 H 12.045 6.484 -6.563 1.00 . A A . 6 ARG HH21 1 1
12 2116 1 1 6 ARG HH22 H 13.150 5.158 -6.693 1.00 . A A . 6 ARG HH22 1 1
12 2117 1 1 6 ARG N N 12.603 10.520 -5.472 1.00 . A A . 6 ARG N 1 1
12 2118 1 1 6 ARG NE N 13.729 8.298 -6.969 1.00 . A A . 6 ARG NE 1 1
12 2119 1 1 6 ARG NH1 N 15.192 6.531 -7.141 1.00 . A A . 6 ARG NH1 1 1
12 2120 1 1 6 ARG NH2 N 12.972 6.141 -6.714 1.00 . A A . 6 ARG NH2 1 1
12 2121 1 1 6 ARG O O 14.308 13.492 -4.340 1.00 . A A . 6 ARG O 1 1
12 2122 1 1 7 LEU C C 12.157 13.930 -2.050 1.00 . A A . 7 LEU C 1 1
12 2123 1 1 7 LEU CA C 11.711 13.989 -3.507 1.00 . A A . 7 LEU CA 1 1
12 2124 1 1 7 LEU CB C 10.188 14.104 -3.582 1.00 . A A . 7 LEU CB 1 1
12 2125 1 1 7 LEU CD1 C 9.979 16.367 -2.525 1.00 . A A . 7 LEU CD1 1 1
12 2126 1 1 7 LEU CD2 C 10.153 16.163 -5.012 1.00 . A A . 7 LEU CD2 1 1
12 2127 1 1 7 LEU CG C 9.628 15.518 -3.737 1.00 . A A . 7 LEU CG 1 1
12 2128 1 1 7 LEU H H 11.517 12.114 -4.471 1.00 . A A . 7 LEU H 1 1
12 2129 1 1 7 LEU HA H 12.153 14.858 -3.972 1.00 . A A . 7 LEU HA 1 1
12 2130 1 1 7 LEU HB2 H 9.854 13.522 -4.428 1.00 . A A . 7 LEU HB2 1 1
12 2131 1 1 7 LEU HB3 H 9.780 13.683 -2.674 1.00 . A A . 7 LEU HB3 1 1
12 2132 1 1 7 LEU HD11 H 9.268 17.173 -2.432 1.00 . A A . 7 LEU HD11 1 1
12 2133 1 1 7 LEU HD12 H 10.972 16.774 -2.647 1.00 . A A . 7 LEU HD12 1 1
12 2134 1 1 7 LEU HD13 H 9.949 15.754 -1.636 1.00 . A A . 7 LEU HD13 1 1
12 2135 1 1 7 LEU HD21 H 10.311 15.401 -5.761 1.00 . A A . 7 LEU HD21 1 1
12 2136 1 1 7 LEU HD22 H 11.087 16.663 -4.804 1.00 . A A . 7 LEU HD22 1 1
12 2137 1 1 7 LEU HD23 H 9.432 16.880 -5.375 1.00 . A A . 7 LEU HD23 1 1
12 2138 1 1 7 LEU HG H 8.550 15.467 -3.806 1.00 . A A . 7 LEU HG 1 1
12 2139 1 1 7 LEU N N 12.165 12.811 -4.238 1.00 . A A . 7 LEU N 1 1
12 2140 1 1 7 LEU O O 12.326 14.961 -1.400 1.00 . A A . 7 LEU O 1 1
12 2141 1 1 8 GLY C C 12.838 11.088 0.245 1.00 . A A . 8 GLY C 1 1
12 2142 1 1 8 GLY CA C 12.774 12.546 -0.166 1.00 . A A . 8 GLY CA 1 1
12 2143 1 1 8 GLY H H 12.197 11.929 -2.108 1.00 . A A . 8 GLY H 1 1
12 2144 1 1 8 GLY HA2 H 13.753 12.986 -0.046 1.00 . A A . 8 GLY HA2 1 1
12 2145 1 1 8 GLY HA3 H 12.078 13.059 0.481 1.00 . A A . 8 GLY HA3 1 1
12 2146 1 1 8 GLY N N 12.347 12.716 -1.542 1.00 . A A . 8 GLY N 1 1
12 2147 1 1 8 GLY O O 13.910 10.568 0.555 1.00 . A A . 8 GLY O 1 1
12 2148 1 1 9 THR C C 10.302 8.393 0.172 1.00 . A A . 9 THR C 1 1
12 2149 1 1 9 THR CA C 11.614 9.019 0.629 1.00 . A A . 9 THR CA 1 1
12 2150 1 1 9 THR CB C 11.752 8.841 2.153 1.00 . A A . 9 THR CB 1 1
12 2151 1 1 9 THR CG2 C 12.919 7.925 2.487 1.00 . A A . 9 THR CG2 1 1
12 2152 1 1 9 THR H H 10.864 10.894 -0.007 1.00 . A A . 9 THR H 1 1
12 2153 1 1 9 THR HA H 12.434 8.503 0.151 1.00 . A A . 9 THR HA 1 1
12 2154 1 1 9 THR HB H 10.843 8.394 2.531 1.00 . A A . 9 THR HB 1 1
12 2155 1 1 9 THR HG1 H 11.684 10.057 3.703 1.00 . A A . 9 THR HG1 1 1
12 2156 1 1 9 THR HG21 H 12.575 6.902 2.526 1.00 . A A . 9 THR HG21 1 1
12 2157 1 1 9 THR HG22 H 13.332 8.203 3.445 1.00 . A A . 9 THR HG22 1 1
12 2158 1 1 9 THR HG23 H 13.680 8.019 1.726 1.00 . A A . 9 THR HG23 1 1
12 2159 1 1 9 THR N N 11.686 10.425 0.250 1.00 . A A . 9 THR N 1 1
12 2160 1 1 9 THR O O 9.548 8.995 -0.593 1.00 . A A . 9 THR O 1 1
12 2161 1 1 9 THR OG1 O 11.943 10.113 2.780 1.00 . A A . 9 THR OG1 1 1
12 2162 1 1 10 TYR C C 7.595 7.379 0.420 1.00 . A A . 10 TYR C 1 1
12 2163 1 1 10 TYR CA C 8.813 6.471 0.282 1.00 . A A . 10 TYR CA 1 1
12 2164 1 1 10 TYR CB C 8.640 5.230 1.159 1.00 . A A . 10 TYR CB 1 1
12 2165 1 1 10 TYR CD1 C 8.182 2.800 0.646 1.00 . A A . 10 TYR CD1 1 1
12 2166 1 1 10 TYR CD2 C 10.034 3.847 -0.429 1.00 . A A . 10 TYR CD2 1 1
12 2167 1 1 10 TYR CE1 C 8.468 1.615 -0.004 1.00 . A A . 10 TYR CE1 1 1
12 2168 1 1 10 TYR CE2 C 10.327 2.666 -1.084 1.00 . A A . 10 TYR CE2 1 1
12 2169 1 1 10 TYR CG C 8.958 3.935 0.445 1.00 . A A . 10 TYR CG 1 1
12 2170 1 1 10 TYR CZ C 9.541 1.553 -0.868 1.00 . A A . 10 TYR CZ 1 1
12 2171 1 1 10 TYR H H 10.674 6.751 1.250 1.00 . A A . 10 TYR H 1 1
12 2172 1 1 10 TYR HA H 8.903 6.162 -0.749 1.00 . A A . 10 TYR HA 1 1
12 2173 1 1 10 TYR HB2 H 9.296 5.306 2.012 1.00 . A A . 10 TYR HB2 1 1
12 2174 1 1 10 TYR HB3 H 7.617 5.178 1.500 1.00 . A A . 10 TYR HB3 1 1
12 2175 1 1 10 TYR HD1 H 7.342 2.852 1.323 1.00 . A A . 10 TYR HD1 1 1
12 2176 1 1 10 TYR HD2 H 10.648 4.720 -0.596 1.00 . A A . 10 TYR HD2 1 1
12 2177 1 1 10 TYR HE1 H 7.853 0.743 0.165 1.00 . A A . 10 TYR HE1 1 1
12 2178 1 1 10 TYR HE2 H 11.168 2.617 -1.760 1.00 . A A . 10 TYR HE2 1 1
12 2179 1 1 10 TYR HH H 10.393 -0.168 -0.960 1.00 . A A . 10 TYR HH 1 1
12 2180 1 1 10 TYR N N 10.035 7.180 0.644 1.00 . A A . 10 TYR N 1 1
12 2181 1 1 10 TYR O O 7.384 8.001 1.461 1.00 . A A . 10 TYR O 1 1
12 2182 1 1 10 TYR OH O 9.831 0.375 -1.517 1.00 . A A . 10 TYR OH 1 1
12 2183 1 1 11 VAL C C 4.423 7.551 -1.286 1.00 . A A . 11 VAL C 1 1
12 2184 1 1 11 VAL CA C 5.595 8.278 -0.637 1.00 . A A . 11 VAL CA 1 1
12 2185 1 1 11 VAL CB C 5.832 9.609 -1.376 1.00 . A A . 11 VAL CB 1 1
12 2186 1 1 11 VAL CG1 C 6.400 9.356 -2.764 1.00 . A A . 11 VAL CG1 1 1
12 2187 1 1 11 VAL CG2 C 4.541 10.410 -1.457 1.00 . A A . 11 VAL CG2 1 1
12 2188 1 1 11 VAL H H 7.015 6.930 -1.440 1.00 . A A . 11 VAL H 1 1
12 2189 1 1 11 VAL HA H 5.344 8.501 0.390 1.00 . A A . 11 VAL HA 1 1
12 2190 1 1 11 VAL HB H 6.554 10.185 -0.815 1.00 . A A . 11 VAL HB 1 1
12 2191 1 1 11 VAL HG11 H 7.283 8.739 -2.684 1.00 . A A . 11 VAL HG11 1 1
12 2192 1 1 11 VAL HG12 H 5.661 8.852 -3.369 1.00 . A A . 11 VAL HG12 1 1
12 2193 1 1 11 VAL HG13 H 6.661 10.298 -3.223 1.00 . A A . 11 VAL HG13 1 1
12 2194 1 1 11 VAL HG21 H 4.005 10.322 -0.524 1.00 . A A . 11 VAL HG21 1 1
12 2195 1 1 11 VAL HG22 H 4.773 11.449 -1.641 1.00 . A A . 11 VAL HG22 1 1
12 2196 1 1 11 VAL HG23 H 3.931 10.029 -2.262 1.00 . A A . 11 VAL HG23 1 1
12 2197 1 1 11 VAL N N 6.794 7.449 -0.639 1.00 . A A . 11 VAL N 1 1
12 2198 1 1 11 VAL O O 4.562 6.957 -2.356 1.00 . A A . 11 VAL O 1 1
12 2199 1 1 12 CYS C C 0.882 7.909 -1.142 1.00 . A A . 12 CYS C 1 1
12 2200 1 1 12 CYS CA C 2.069 6.949 -1.145 1.00 . A A . 12 CYS CA 1 1
12 2201 1 1 12 CYS CB C 1.740 5.711 -0.309 1.00 . A A . 12 CYS CB 1 1
12 2202 1 1 12 CYS H H 3.218 8.093 0.215 1.00 . A A . 12 CYS H 1 1
12 2203 1 1 12 CYS HA H 2.266 6.644 -2.162 1.00 . A A . 12 CYS HA 1 1
12 2204 1 1 12 CYS HB2 H 0.687 5.718 -0.068 1.00 . A A . 12 CYS HB2 1 1
12 2205 1 1 12 CYS HB3 H 1.967 4.826 -0.885 1.00 . A A . 12 CYS HB3 1 1
12 2206 1 1 12 CYS N N 3.267 7.603 -0.633 1.00 . A A . 12 CYS N 1 1
12 2207 1 1 12 CYS O O 1.000 9.059 -1.566 1.00 . A A . 12 CYS O 1 1
12 2208 1 1 12 CYS SG S 2.664 5.606 1.258 1.00 . A A . 12 CYS SG 1 1
13 2209 1 1 1 ALA C C 2.797 1.455 -1.468 1.00 . A A . 1 ALA C 1 1
13 2210 1 1 1 ALA CA C 2.091 0.121 -1.252 1.00 . A A . 1 ALA CA 1 1
13 2211 1 1 1 ALA CB C 1.568 -0.422 -2.574 1.00 . A A . 1 ALA CB 1 1
13 2212 1 1 1 ALA H1 H 0.089 0.028 -0.572 1.00 . A A . 1 ALA H1 1 1
13 2213 1 1 1 ALA HA H 2.800 -0.590 -0.854 1.00 . A A . 1 ALA HA 1 1
13 2214 1 1 1 ALA HB1 H 1.994 0.146 -3.388 1.00 . A A . 1 ALA HB1 1 1
13 2215 1 1 1 ALA HB2 H 1.848 -1.460 -2.672 1.00 . A A . 1 ALA HB2 1 1
13 2216 1 1 1 ALA HB3 H 0.492 -0.335 -2.598 1.00 . A A . 1 ALA HB3 1 1
13 2217 1 1 1 ALA N N 1.000 0.254 -0.293 1.00 . A A . 1 ALA N 1 1
13 2218 1 1 1 ALA O O 2.291 2.331 -2.170 1.00 . A A . 1 ALA O 1 1
13 2219 1 1 2 CYS C C 5.863 2.667 -2.011 1.00 . A A . 2 CYS C 1 1
13 2220 1 1 2 CYS CA C 4.746 2.831 -0.985 1.00 . A A . 2 CYS CA 1 1
13 2221 1 1 2 CYS CB C 5.337 3.225 0.370 1.00 . A A . 2 CYS CB 1 1
13 2222 1 1 2 CYS H H 4.321 0.869 -0.313 1.00 . A A . 2 CYS H 1 1
13 2223 1 1 2 CYS HA H 4.080 3.613 -1.317 1.00 . A A . 2 CYS HA 1 1
13 2224 1 1 2 CYS HB2 H 5.948 2.413 0.738 1.00 . A A . 2 CYS HB2 1 1
13 2225 1 1 2 CYS HB3 H 5.954 4.103 0.244 1.00 . A A . 2 CYS HB3 1 1
13 2226 1 1 2 CYS N N 3.969 1.604 -0.860 1.00 . A A . 2 CYS N 1 1
13 2227 1 1 2 CYS O O 6.161 1.555 -2.447 1.00 . A A . 2 CYS O 1 1
13 2228 1 1 2 CYS SG S 4.091 3.599 1.645 1.00 . A A . 2 CYS SG 1 1
13 2229 1 1 3 PHE C C 8.551 4.892 -3.104 1.00 . A A . 3 PHE C 1 1
13 2230 1 1 3 PHE CA C 7.560 3.762 -3.369 1.00 . A A . 3 PHE CA 1 1
13 2231 1 1 3 PHE CB C 7.000 3.882 -4.787 1.00 . A A . 3 PHE CB 1 1
13 2232 1 1 3 PHE CD1 C 5.219 5.640 -4.982 1.00 . A A . 3 PHE CD1 1 1
13 2233 1 1 3 PHE CD2 C 4.545 3.368 -4.714 1.00 . A A . 3 PHE CD2 1 1
13 2234 1 1 3 PHE CE1 C 3.894 6.032 -5.021 1.00 . A A . 3 PHE CE1 1 1
13 2235 1 1 3 PHE CE2 C 3.218 3.755 -4.753 1.00 . A A . 3 PHE CE2 1 1
13 2236 1 1 3 PHE CG C 5.559 4.305 -4.829 1.00 . A A . 3 PHE CG 1 1
13 2237 1 1 3 PHE CZ C 2.893 5.088 -4.905 1.00 . A A . 3 PHE CZ 1 1
13 2238 1 1 3 PHE H H 6.193 4.639 -2.010 1.00 . A A . 3 PHE H 1 1
13 2239 1 1 3 PHE HA H 8.074 2.818 -3.273 1.00 . A A . 3 PHE HA 1 1
13 2240 1 1 3 PHE HB2 H 7.575 4.615 -5.333 1.00 . A A . 3 PHE HB2 1 1
13 2241 1 1 3 PHE HB3 H 7.080 2.926 -5.281 1.00 . A A . 3 PHE HB3 1 1
13 2242 1 1 3 PHE HD1 H 6.002 6.379 -5.073 1.00 . A A . 3 PHE HD1 1 1
13 2243 1 1 3 PHE HD2 H 4.798 2.325 -4.594 1.00 . A A . 3 PHE HD2 1 1
13 2244 1 1 3 PHE HE1 H 3.643 7.076 -5.140 1.00 . A A . 3 PHE HE1 1 1
13 2245 1 1 3 PHE HE2 H 2.437 3.015 -4.662 1.00 . A A . 3 PHE HE2 1 1
13 2246 1 1 3 PHE HZ H 1.857 5.392 -4.936 1.00 . A A . 3 PHE HZ 1 1
13 2247 1 1 3 PHE N N 6.477 3.782 -2.393 1.00 . A A . 3 PHE N 1 1
13 2248 1 1 3 PHE O O 8.159 6.015 -2.785 1.00 . A A . 3 PHE O 1 1
13 2249 1 1 4 LEU C C 10.900 6.617 -4.126 1.00 . A A . 4 LEU C 1 1
13 2250 1 1 4 LEU CA C 10.886 5.574 -3.013 1.00 . A A . 4 LEU CA 1 1
13 2251 1 1 4 LEU CB C 12.250 4.888 -2.924 1.00 . A A . 4 LEU CB 1 1
13 2252 1 1 4 LEU CD1 C 13.628 6.854 -2.202 1.00 . A A . 4 LEU CD1 1 1
13 2253 1 1 4 LEU CD2 C 14.723 4.912 -3.337 1.00 . A A . 4 LEU CD2 1 1
13 2254 1 1 4 LEU CG C 13.463 5.761 -3.247 1.00 . A A . 4 LEU CG 1 1
13 2255 1 1 4 LEU H H 10.088 3.674 -3.494 1.00 . A A . 4 LEU H 1 1
13 2256 1 1 4 LEU HA H 10.679 6.069 -2.076 1.00 . A A . 4 LEU HA 1 1
13 2257 1 1 4 LEU HB2 H 12.369 4.517 -1.918 1.00 . A A . 4 LEU HB2 1 1
13 2258 1 1 4 LEU HB3 H 12.246 4.056 -3.614 1.00 . A A . 4 LEU HB3 1 1
13 2259 1 1 4 LEU HD11 H 12.982 6.649 -1.362 1.00 . A A . 4 LEU HD11 1 1
13 2260 1 1 4 LEU HD12 H 13.365 7.808 -2.635 1.00 . A A . 4 LEU HD12 1 1
13 2261 1 1 4 LEU HD13 H 14.655 6.881 -1.869 1.00 . A A . 4 LEU HD13 1 1
13 2262 1 1 4 LEU HD21 H 14.656 4.095 -2.634 1.00 . A A . 4 LEU HD21 1 1
13 2263 1 1 4 LEU HD22 H 15.584 5.520 -3.102 1.00 . A A . 4 LEU HD22 1 1
13 2264 1 1 4 LEU HD23 H 14.821 4.519 -4.338 1.00 . A A . 4 LEU HD23 1 1
13 2265 1 1 4 LEU HG H 13.310 6.238 -4.206 1.00 . A A . 4 LEU HG 1 1
13 2266 1 1 4 LEU N N 9.837 4.586 -3.238 1.00 . A A . 4 LEU N 1 1
13 2267 1 1 4 LEU O O 10.833 6.280 -5.309 1.00 . A A . 4 LEU O 1 1
13 2268 1 1 5 THR C C 12.190 9.912 -4.449 1.00 . A A . 5 THR C 1 1
13 2269 1 1 5 THR CA C 11.013 8.978 -4.706 1.00 . A A . 5 THR CA 1 1
13 2270 1 1 5 THR CB C 9.707 9.793 -4.664 1.00 . A A . 5 THR CB 1 1
13 2271 1 1 5 THR CG2 C 8.654 9.174 -5.571 1.00 . A A . 5 THR CG2 1 1
13 2272 1 1 5 THR H H 11.039 8.091 -2.784 1.00 . A A . 5 THR H 1 1
13 2273 1 1 5 THR HA H 11.114 8.549 -5.692 1.00 . A A . 5 THR HA 1 1
13 2274 1 1 5 THR HB H 9.915 10.796 -5.010 1.00 . A A . 5 THR HB 1 1
13 2275 1 1 5 THR HG1 H 9.343 10.740 -2.973 1.00 . A A . 5 THR HG1 1 1
13 2276 1 1 5 THR HG21 H 7.893 9.908 -5.792 1.00 . A A . 5 THR HG21 1 1
13 2277 1 1 5 THR HG22 H 8.204 8.328 -5.075 1.00 . A A . 5 THR HG22 1 1
13 2278 1 1 5 THR HG23 H 9.117 8.849 -6.490 1.00 . A A . 5 THR HG23 1 1
13 2279 1 1 5 THR N N 10.989 7.886 -3.741 1.00 . A A . 5 THR N 1 1
13 2280 1 1 5 THR O O 12.716 9.973 -3.338 1.00 . A A . 5 THR O 1 1
13 2281 1 1 5 THR OG1 O 9.211 9.856 -3.322 1.00 . A A . 5 THR OG1 1 1
13 2282 1 1 6 ARG C C 13.293 12.836 -4.627 1.00 . A A . 6 ARG C 1 1
13 2283 1 1 6 ARG CA C 13.714 11.571 -5.371 1.00 . A A . 6 ARG CA 1 1
13 2284 1 1 6 ARG CB C 14.246 11.935 -6.758 1.00 . A A . 6 ARG CB 1 1
13 2285 1 1 6 ARG CD C 14.839 9.533 -7.197 1.00 . A A . 6 ARG CD 1 1
13 2286 1 1 6 ARG CG C 14.186 10.788 -7.753 1.00 . A A . 6 ARG CG 1 1
13 2287 1 1 6 ARG CZ C 14.184 7.180 -6.919 1.00 . A A . 6 ARG CZ 1 1
13 2288 1 1 6 ARG H H 12.139 10.547 -6.345 1.00 . A A . 6 ARG H 1 1
13 2289 1 1 6 ARG HA H 14.498 11.083 -4.811 1.00 . A A . 6 ARG HA 1 1
13 2290 1 1 6 ARG HB2 H 13.662 12.754 -7.151 1.00 . A A . 6 ARG HB2 1 1
13 2291 1 1 6 ARG HB3 H 15.274 12.249 -6.665 1.00 . A A . 6 ARG HB3 1 1
13 2292 1 1 6 ARG HD2 H 15.576 9.182 -7.905 1.00 . A A . 6 ARG HD2 1 1
13 2293 1 1 6 ARG HD3 H 15.326 9.780 -6.265 1.00 . A A . 6 ARG HD3 1 1
13 2294 1 1 6 ARG HE H 12.933 8.730 -6.822 1.00 . A A . 6 ARG HE 1 1
13 2295 1 1 6 ARG HG2 H 13.152 10.572 -7.978 1.00 . A A . 6 ARG HG2 1 1
13 2296 1 1 6 ARG HG3 H 14.699 11.081 -8.657 1.00 . A A . 6 ARG HG3 1 1
13 2297 1 1 6 ARG HH11 H 16.151 7.479 -7.268 1.00 . A A . 6 ARG HH11 1 1
13 2298 1 1 6 ARG HH12 H 15.676 5.825 -7.069 1.00 . A A . 6 ARG HH12 1 1
13 2299 1 1 6 ARG HH21 H 12.295 6.556 -6.559 1.00 . A A . 6 ARG HH21 1 1
13 2300 1 1 6 ARG HH22 H 13.482 5.301 -6.667 1.00 . A A . 6 ARG HH22 1 1
13 2301 1 1 6 ARG N N 12.598 10.640 -5.484 1.00 . A A . 6 ARG N 1 1
13 2302 1 1 6 ARG NE N 13.868 8.469 -6.959 1.00 . A A . 6 ARG NE 1 1
13 2303 1 1 6 ARG NH1 N 15.440 6.796 -7.101 1.00 . A A . 6 ARG NH1 1 1
13 2304 1 1 6 ARG NH2 N 13.243 6.271 -6.697 1.00 . A A . 6 ARG NH2 1 1
13 2305 1 1 6 ARG O O 14.112 13.720 -4.371 1.00 . A A . 6 ARG O 1 1
13 2306 1 1 7 LEU C C 11.876 14.031 -2.098 1.00 . A A . 7 LEU C 1 1
13 2307 1 1 7 LEU CA C 11.482 14.072 -3.571 1.00 . A A . 7 LEU CA 1 1
13 2308 1 1 7 LEU CB C 9.959 14.121 -3.701 1.00 . A A . 7 LEU CB 1 1
13 2309 1 1 7 LEU CD1 C 9.620 16.391 -2.691 1.00 . A A . 7 LEU CD1 1 1
13 2310 1 1 7 LEU CD2 C 9.889 16.154 -5.167 1.00 . A A . 7 LEU CD2 1 1
13 2311 1 1 7 LEU CG C 9.347 15.509 -3.900 1.00 . A A . 7 LEU CG 1 1
13 2312 1 1 7 LEU H H 11.408 12.179 -4.515 1.00 . A A . 7 LEU H 1 1
13 2313 1 1 7 LEU HA H 11.903 14.959 -4.019 1.00 . A A . 7 LEU HA 1 1
13 2314 1 1 7 LEU HB2 H 9.679 13.513 -4.547 1.00 . A A . 7 LEU HB2 1 1
13 2315 1 1 7 LEU HB3 H 9.537 13.698 -2.801 1.00 . A A . 7 LEU HB3 1 1
13 2316 1 1 7 LEU HD11 H 8.854 17.147 -2.617 1.00 . A A . 7 LEU HD11 1 1
13 2317 1 1 7 LEU HD12 H 10.584 16.865 -2.802 1.00 . A A . 7 LEU HD12 1 1
13 2318 1 1 7 LEU HD13 H 9.619 15.785 -1.796 1.00 . A A . 7 LEU HD13 1 1
13 2319 1 1 7 LEU HD21 H 10.316 17.117 -4.926 1.00 . A A . 7 LEU HD21 1 1
13 2320 1 1 7 LEU HD22 H 9.085 16.284 -5.877 1.00 . A A . 7 LEU HD22 1 1
13 2321 1 1 7 LEU HD23 H 10.651 15.520 -5.596 1.00 . A A . 7 LEU HD23 1 1
13 2322 1 1 7 LEU HG H 8.275 15.411 -4.005 1.00 . A A . 7 LEU HG 1 1
13 2323 1 1 7 LEU N N 12.012 12.915 -4.284 1.00 . A A . 7 LEU N 1 1
13 2324 1 1 7 LEU O O 11.958 15.065 -1.437 1.00 . A A . 7 LEU O 1 1
13 2325 1 1 8 GLY C C 12.687 11.221 0.197 1.00 . A A . 8 GLY C 1 1
13 2326 1 1 8 GLY CA C 12.508 12.674 -0.199 1.00 . A A . 8 GLY CA 1 1
13 2327 1 1 8 GLY H H 12.042 12.036 -2.163 1.00 . A A . 8 GLY H 1 1
13 2328 1 1 8 GLY HA2 H 13.438 13.198 -0.034 1.00 . A A . 8 GLY HA2 1 1
13 2329 1 1 8 GLY HA3 H 11.743 13.112 0.425 1.00 . A A . 8 GLY HA3 1 1
13 2330 1 1 8 GLY N N 12.123 12.827 -1.589 1.00 . A A . 8 GLY N 1 1
13 2331 1 1 8 GLY O O 13.804 10.774 0.459 1.00 . A A . 8 GLY O 1 1
13 2332 1 1 9 THR C C 10.352 8.353 0.173 1.00 . A A . 9 THR C 1 1
13 2333 1 1 9 THR CA C 11.623 9.072 0.611 1.00 . A A . 9 THR CA 1 1
13 2334 1 1 9 THR CB C 11.801 8.894 2.131 1.00 . A A . 9 THR CB 1 1
13 2335 1 1 9 THR CG2 C 13.034 8.056 2.436 1.00 . A A . 9 THR CG2 1 1
13 2336 1 1 9 THR H H 10.723 10.895 0.023 1.00 . A A . 9 THR H 1 1
13 2337 1 1 9 THR HA H 12.470 8.621 0.115 1.00 . A A . 9 THR HA 1 1
13 2338 1 1 9 THR HB H 10.932 8.386 2.523 1.00 . A A . 9 THR HB 1 1
13 2339 1 1 9 THR HG1 H 11.143 10.702 2.565 1.00 . A A . 9 THR HG1 1 1
13 2340 1 1 9 THR HG21 H 12.796 7.332 3.202 1.00 . A A . 9 THR HG21 1 1
13 2341 1 1 9 THR HG22 H 13.829 8.698 2.782 1.00 . A A . 9 THR HG22 1 1
13 2342 1 1 9 THR HG23 H 13.349 7.541 1.542 1.00 . A A . 9 THR HG23 1 1
13 2343 1 1 9 THR N N 11.584 10.481 0.242 1.00 . A A . 9 THR N 1 1
13 2344 1 1 9 THR O O 9.544 8.902 -0.577 1.00 . A A . 9 THR O 1 1
13 2345 1 1 9 THR OG1 O 11.920 10.173 2.763 1.00 . A A . 9 THR OG1 1 1
13 2346 1 1 10 TYR C C 7.730 7.147 0.456 1.00 . A A . 10 TYR C 1 1
13 2347 1 1 10 TYR CA C 9.008 6.329 0.300 1.00 . A A . 10 TYR CA 1 1
13 2348 1 1 10 TYR CB C 8.937 5.078 1.178 1.00 . A A . 10 TYR CB 1 1
13 2349 1 1 10 TYR CD1 C 8.665 2.620 0.670 1.00 . A A . 10 TYR CD1 1 1
13 2350 1 1 10 TYR CD2 C 10.421 3.806 -0.421 1.00 . A A . 10 TYR CD2 1 1
13 2351 1 1 10 TYR CE1 C 9.038 1.460 0.019 1.00 . A A . 10 TYR CE1 1 1
13 2352 1 1 10 TYR CE2 C 10.800 2.651 -1.077 1.00 . A A . 10 TYR CE2 1 1
13 2353 1 1 10 TYR CG C 9.349 3.811 0.462 1.00 . A A . 10 TYR CG 1 1
13 2354 1 1 10 TYR CZ C 10.105 1.481 -0.854 1.00 . A A . 10 TYR CZ 1 1
13 2355 1 1 10 TYR H H 10.860 6.740 1.239 1.00 . A A . 10 TYR H 1 1
13 2356 1 1 10 TYR HA H 9.105 6.026 -0.733 1.00 . A A . 10 TYR HA 1 1
13 2357 1 1 10 TYR HB2 H 9.591 5.205 2.027 1.00 . A A . 10 TYR HB2 1 1
13 2358 1 1 10 TYR HB3 H 7.923 4.948 1.526 1.00 . A A . 10 TYR HB3 1 1
13 2359 1 1 10 TYR HD1 H 7.829 2.606 1.355 1.00 . A A . 10 TYR HD1 1 1
13 2360 1 1 10 TYR HD2 H 10.963 4.725 -0.593 1.00 . A A . 10 TYR HD2 1 1
13 2361 1 1 10 TYR HE1 H 8.494 0.543 0.194 1.00 . A A . 10 TYR HE1 1 1
13 2362 1 1 10 TYR HE2 H 11.636 2.667 -1.761 1.00 . A A . 10 TYR HE2 1 1
13 2363 1 1 10 TYR HH H 9.978 0.241 -2.318 1.00 . A A . 10 TYR HH 1 1
13 2364 1 1 10 TYR N N 10.181 7.123 0.645 1.00 . A A . 10 TYR N 1 1
13 2365 1 1 10 TYR O O 7.414 7.624 1.546 1.00 . A A . 10 TYR O 1 1
13 2366 1 1 10 TYR OH O 10.481 0.328 -1.505 1.00 . A A . 10 TYR OH 1 1
13 2367 1 1 11 VAL C C 4.613 7.259 -1.244 1.00 . A A . 11 VAL C 1 1
13 2368 1 1 11 VAL CA C 5.753 8.062 -0.628 1.00 . A A . 11 VAL CA 1 1
13 2369 1 1 11 VAL CB C 5.898 9.393 -1.390 1.00 . A A . 11 VAL CB 1 1
13 2370 1 1 11 VAL CG1 C 6.451 9.152 -2.786 1.00 . A A . 11 VAL CG1 1 1
13 2371 1 1 11 VAL CG2 C 4.562 10.118 -1.455 1.00 . A A . 11 VAL CG2 1 1
13 2372 1 1 11 VAL H H 7.302 6.899 -1.481 1.00 . A A . 11 VAL H 1 1
13 2373 1 1 11 VAL HA H 5.509 8.285 0.400 1.00 . A A . 11 VAL HA 1 1
13 2374 1 1 11 VAL HB H 6.596 10.018 -0.853 1.00 . A A . 11 VAL HB 1 1
13 2375 1 1 11 VAL HG11 H 6.640 10.100 -3.267 1.00 . A A . 11 VAL HG11 1 1
13 2376 1 1 11 VAL HG12 H 7.373 8.592 -2.717 1.00 . A A . 11 VAL HG12 1 1
13 2377 1 1 11 VAL HG13 H 5.733 8.592 -3.366 1.00 . A A . 11 VAL HG13 1 1
13 2378 1 1 11 VAL HG21 H 3.967 9.703 -2.255 1.00 . A A . 11 VAL HG21 1 1
13 2379 1 1 11 VAL HG22 H 4.039 9.996 -0.517 1.00 . A A . 11 VAL HG22 1 1
13 2380 1 1 11 VAL HG23 H 4.730 11.168 -1.639 1.00 . A A . 11 VAL HG23 1 1
13 2381 1 1 11 VAL N N 6.998 7.304 -0.642 1.00 . A A . 11 VAL N 1 1
13 2382 1 1 11 VAL O O 4.760 6.675 -2.318 1.00 . A A . 11 VAL O 1 1
13 2383 1 1 12 CYS C C 1.063 7.380 -0.997 1.00 . A A . 12 CYS C 1 1
13 2384 1 1 12 CYS CA C 2.310 6.500 -1.035 1.00 . A A . 12 CYS CA 1 1
13 2385 1 1 12 CYS CB C 2.087 5.245 -0.189 1.00 . A A . 12 CYS CB 1 1
13 2386 1 1 12 CYS H H 3.420 7.717 0.294 1.00 . A A . 12 CYS H 1 1
13 2387 1 1 12 CYS HA H 2.497 6.207 -2.056 1.00 . A A . 12 CYS HA 1 1
13 2388 1 1 12 CYS HB2 H 1.044 5.185 0.086 1.00 . A A . 12 CYS HB2 1 1
13 2389 1 1 12 CYS HB3 H 2.351 4.376 -0.772 1.00 . A A . 12 CYS HB3 1 1
13 2390 1 1 12 CYS N N 3.476 7.232 -0.556 1.00 . A A . 12 CYS N 1 1
13 2391 1 1 12 CYS O O 0.105 7.146 -1.734 1.00 . A A . 12 CYS O 1 1
13 2392 1 1 12 CYS SG S 3.066 5.200 1.347 1.00 . A A . 12 CYS SG 1 1
14 2393 1 1 1 ALA C C 3.138 0.725 -0.787 1.00 . A A . 1 ALA C 1 1
14 2394 1 1 1 ALA CA C 3.043 -0.632 -0.098 1.00 . A A . 1 ALA CA 1 1
14 2395 1 1 1 ALA CB C 4.250 -1.490 -0.448 1.00 . A A . 1 ALA CB 1 1
14 2396 1 1 1 ALA H1 H 0.960 -0.835 -0.415 1.00 . A A . 1 ALA H1 1 1
14 2397 1 1 1 ALA HA H 3.037 -0.481 0.972 1.00 . A A . 1 ALA HA 1 1
14 2398 1 1 1 ALA HB1 H 4.907 -1.551 0.408 1.00 . A A . 1 ALA HB1 1 1
14 2399 1 1 1 ALA HB2 H 3.920 -2.481 -0.720 1.00 . A A . 1 ALA HB2 1 1
14 2400 1 1 1 ALA HB3 H 4.779 -1.045 -1.277 1.00 . A A . 1 ALA HB3 1 1
14 2401 1 1 1 ALA N N 1.811 -1.320 -0.462 1.00 . A A . 1 ALA N 1 1
14 2402 1 1 1 ALA O O 2.250 1.110 -1.548 1.00 . A A . 1 ALA O 1 1
14 2403 1 1 2 CYS C C 5.555 2.718 -2.141 1.00 . A A . 2 CYS C 1 1
14 2404 1 1 2 CYS CA C 4.432 2.761 -1.108 1.00 . A A . 2 CYS CA 1 1
14 2405 1 1 2 CYS CB C 4.762 3.787 -0.022 1.00 . A A . 2 CYS CB 1 1
14 2406 1 1 2 CYS H H 4.894 1.086 0.099 1.00 . A A . 2 CYS H 1 1
14 2407 1 1 2 CYS HA H 3.518 3.054 -1.601 1.00 . A A . 2 CYS HA 1 1
14 2408 1 1 2 CYS HB2 H 5.482 3.357 0.661 1.00 . A A . 2 CYS HB2 1 1
14 2409 1 1 2 CYS HB3 H 5.192 4.664 -0.484 1.00 . A A . 2 CYS HB3 1 1
14 2410 1 1 2 CYS N N 4.221 1.446 -0.516 1.00 . A A . 2 CYS N 1 1
14 2411 1 1 2 CYS O O 6.104 1.656 -2.433 1.00 . A A . 2 CYS O 1 1
14 2412 1 1 2 CYS SG S 3.323 4.322 0.957 1.00 . A A . 2 CYS SG 1 1
14 2413 1 1 3 PHE C C 7.989 5.017 -3.284 1.00 . A A . 3 PHE C 1 1
14 2414 1 1 3 PHE CA C 6.949 3.977 -3.690 1.00 . A A . 3 PHE CA 1 1
14 2415 1 1 3 PHE CB C 6.358 4.336 -5.054 1.00 . A A . 3 PHE CB 1 1
14 2416 1 1 3 PHE CD1 C 4.898 6.375 -4.956 1.00 . A A . 3 PHE CD1 1 1
14 2417 1 1 3 PHE CD2 C 3.855 4.231 -4.903 1.00 . A A . 3 PHE CD2 1 1
14 2418 1 1 3 PHE CE1 C 3.660 6.984 -4.878 1.00 . A A . 3 PHE CE1 1 1
14 2419 1 1 3 PHE CE2 C 2.614 4.834 -4.826 1.00 . A A . 3 PHE CE2 1 1
14 2420 1 1 3 PHE CG C 5.010 4.994 -4.969 1.00 . A A . 3 PHE CG 1 1
14 2421 1 1 3 PHE CZ C 2.516 6.212 -4.812 1.00 . A A . 3 PHE CZ 1 1
14 2422 1 1 3 PHE H H 5.418 4.694 -2.415 1.00 . A A . 3 PHE H 1 1
14 2423 1 1 3 PHE HA H 7.429 3.013 -3.757 1.00 . A A . 3 PHE HA 1 1
14 2424 1 1 3 PHE HB2 H 7.026 5.015 -5.561 1.00 . A A . 3 PHE HB2 1 1
14 2425 1 1 3 PHE HB3 H 6.252 3.436 -5.641 1.00 . A A . 3 PHE HB3 1 1
14 2426 1 1 3 PHE HD1 H 5.793 6.979 -5.007 1.00 . A A . 3 PHE HD1 1 1
14 2427 1 1 3 PHE HD2 H 3.930 3.154 -4.912 1.00 . A A . 3 PHE HD2 1 1
14 2428 1 1 3 PHE HE1 H 3.587 8.061 -4.868 1.00 . A A . 3 PHE HE1 1 1
14 2429 1 1 3 PHE HE2 H 1.721 4.229 -4.774 1.00 . A A . 3 PHE HE2 1 1
14 2430 1 1 3 PHE HZ H 1.548 6.686 -4.752 1.00 . A A . 3 PHE HZ 1 1
14 2431 1 1 3 PHE N N 5.892 3.881 -2.689 1.00 . A A . 3 PHE N 1 1
14 2432 1 1 3 PHE O O 7.658 6.043 -2.687 1.00 . A A . 3 PHE O 1 1
14 2433 1 1 4 LEU C C 10.425 6.792 -4.296 1.00 . A A . 4 LEU C 1 1
14 2434 1 1 4 LEU CA C 10.338 5.656 -3.281 1.00 . A A . 4 LEU CA 1 1
14 2435 1 1 4 LEU CB C 11.665 4.898 -3.232 1.00 . A A . 4 LEU CB 1 1
14 2436 1 1 4 LEU CD1 C 13.088 6.726 -2.274 1.00 . A A . 4 LEU CD1 1 1
14 2437 1 1 4 LEU CD2 C 14.153 4.847 -3.536 1.00 . A A . 4 LEU CD2 1 1
14 2438 1 1 4 LEU CG C 12.927 5.741 -3.421 1.00 . A A . 4 LEU CG 1 1
14 2439 1 1 4 LEU H H 9.449 3.912 -4.086 1.00 . A A . 4 LEU H 1 1
14 2440 1 1 4 LEU HA H 10.136 6.075 -2.306 1.00 . A A . 4 LEU HA 1 1
14 2441 1 1 4 LEU HB2 H 11.734 4.413 -2.271 1.00 . A A . 4 LEU HB2 1 1
14 2442 1 1 4 LEU HB3 H 11.646 4.149 -4.011 1.00 . A A . 4 LEU HB3 1 1
14 2443 1 1 4 LEU HD11 H 13.141 7.730 -2.666 1.00 . A A . 4 LEU HD11 1 1
14 2444 1 1 4 LEU HD12 H 13.996 6.502 -1.733 1.00 . A A . 4 LEU HD12 1 1
14 2445 1 1 4 LEU HD13 H 12.243 6.642 -1.606 1.00 . A A . 4 LEU HD13 1 1
14 2446 1 1 4 LEU HD21 H 14.165 4.146 -2.715 1.00 . A A . 4 LEU HD21 1 1
14 2447 1 1 4 LEU HD22 H 15.046 5.455 -3.503 1.00 . A A . 4 LEU HD22 1 1
14 2448 1 1 4 LEU HD23 H 14.119 4.307 -4.471 1.00 . A A . 4 LEU HD23 1 1
14 2449 1 1 4 LEU HG H 12.839 6.309 -4.338 1.00 . A A . 4 LEU HG 1 1
14 2450 1 1 4 LEU N N 9.247 4.745 -3.611 1.00 . A A . 4 LEU N 1 1
14 2451 1 1 4 LEU O O 10.173 6.597 -5.485 1.00 . A A . 4 LEU O 1 1
14 2452 1 1 5 THR C C 12.184 9.922 -4.384 1.00 . A A . 5 THR C 1 1
14 2453 1 1 5 THR CA C 10.906 9.146 -4.683 1.00 . A A . 5 THR CA 1 1
14 2454 1 1 5 THR CB C 9.698 10.089 -4.526 1.00 . A A . 5 THR CB 1 1
14 2455 1 1 5 THR CG2 C 8.477 9.528 -5.239 1.00 . A A . 5 THR CG2 1 1
14 2456 1 1 5 THR H H 10.971 8.072 -2.860 1.00 . A A . 5 THR H 1 1
14 2457 1 1 5 THR HA H 10.936 8.801 -5.706 1.00 . A A . 5 THR HA 1 1
14 2458 1 1 5 THR HB H 9.946 11.044 -4.968 1.00 . A A . 5 THR HB 1 1
14 2459 1 1 5 THR HG1 H 9.814 11.091 -2.831 1.00 . A A . 5 THR HG1 1 1
14 2460 1 1 5 THR HG21 H 8.018 8.769 -4.622 1.00 . A A . 5 THR HG21 1 1
14 2461 1 1 5 THR HG22 H 8.777 9.094 -6.181 1.00 . A A . 5 THR HG22 1 1
14 2462 1 1 5 THR HG23 H 7.768 10.322 -5.418 1.00 . A A . 5 THR HG23 1 1
14 2463 1 1 5 THR N N 10.784 7.979 -3.818 1.00 . A A . 5 THR N 1 1
14 2464 1 1 5 THR O O 12.683 9.904 -3.259 1.00 . A A . 5 THR O 1 1
14 2465 1 1 5 THR OG1 O 9.401 10.280 -3.139 1.00 . A A . 5 THR OG1 1 1
14 2466 1 1 6 ARG C C 13.650 12.686 -4.499 1.00 . A A . 6 ARG C 1 1
14 2467 1 1 6 ARG CA C 13.929 11.384 -5.243 1.00 . A A . 6 ARG CA 1 1
14 2468 1 1 6 ARG CB C 14.542 11.687 -6.611 1.00 . A A . 6 ARG CB 1 1
14 2469 1 1 6 ARG CD C 13.800 9.829 -8.132 1.00 . A A . 6 ARG CD 1 1
14 2470 1 1 6 ARG CG C 14.967 10.445 -7.377 1.00 . A A . 6 ARG CG 1 1
14 2471 1 1 6 ARG CZ C 13.862 7.468 -7.450 1.00 . A A . 6 ARG CZ 1 1
14 2472 1 1 6 ARG H H 12.264 10.577 -6.271 1.00 . A A . 6 ARG H 1 1
14 2473 1 1 6 ARG HA H 14.628 10.796 -4.667 1.00 . A A . 6 ARG HA 1 1
14 2474 1 1 6 ARG HB2 H 13.817 12.220 -7.208 1.00 . A A . 6 ARG HB2 1 1
14 2475 1 1 6 ARG HB3 H 15.411 12.313 -6.472 1.00 . A A . 6 ARG HB3 1 1
14 2476 1 1 6 ARG HD2 H 13.017 10.568 -8.223 1.00 . A A . 6 ARG HD2 1 1
14 2477 1 1 6 ARG HD3 H 14.137 9.540 -9.116 1.00 . A A . 6 ARG HD3 1 1
14 2478 1 1 6 ARG HE H 12.419 8.756 -6.965 1.00 . A A . 6 ARG HE 1 1
14 2479 1 1 6 ARG HG2 H 15.736 10.716 -8.086 1.00 . A A . 6 ARG HG2 1 1
14 2480 1 1 6 ARG HG3 H 15.357 9.719 -6.679 1.00 . A A . 6 ARG HG3 1 1
14 2481 1 1 6 ARG HH11 H 15.425 8.068 -8.582 1.00 . A A . 6 ARG HH11 1 1
14 2482 1 1 6 ARG HH12 H 15.457 6.406 -8.094 1.00 . A A . 6 ARG HH12 1 1
14 2483 1 1 6 ARG HH21 H 12.450 6.569 -6.317 1.00 . A A . 6 ARG HH21 1 1
14 2484 1 1 6 ARG HH22 H 13.764 5.554 -6.807 1.00 . A A . 6 ARG HH22 1 1
14 2485 1 1 6 ARG N N 12.708 10.602 -5.398 1.00 . A A . 6 ARG N 1 1
14 2486 1 1 6 ARG NE N 13.265 8.654 -7.449 1.00 . A A . 6 ARG NE 1 1
14 2487 1 1 6 ARG NH1 N 15.008 7.300 -8.096 1.00 . A A . 6 ARG NH1 1 1
14 2488 1 1 6 ARG NH2 N 13.314 6.447 -6.805 1.00 . A A . 6 ARG NH2 1 1
14 2489 1 1 6 ARG O O 14.564 13.465 -4.224 1.00 . A A . 6 ARG O 1 1
14 2490 1 1 7 LEU C C 12.317 14.018 -1.979 1.00 . A A . 7 LEU C 1 1
14 2491 1 1 7 LEU CA C 11.982 14.125 -3.463 1.00 . A A . 7 LEU CA 1 1
14 2492 1 1 7 LEU CB C 10.483 14.374 -3.643 1.00 . A A . 7 LEU CB 1 1
14 2493 1 1 7 LEU CD1 C 10.292 16.582 -4.814 1.00 . A A . 7 LEU CD1 1 1
14 2494 1 1 7 LEU CD2 C 8.548 15.893 -3.159 1.00 . A A . 7 LEU CD2 1 1
14 2495 1 1 7 LEU CG C 10.025 15.828 -3.521 1.00 . A A . 7 LEU CG 1 1
14 2496 1 1 7 LEU H H 11.698 12.260 -4.421 1.00 . A A . 7 LEU H 1 1
14 2497 1 1 7 LEU HA H 12.529 14.955 -3.885 1.00 . A A . 7 LEU HA 1 1
14 2498 1 1 7 LEU HB2 H 10.205 14.021 -4.624 1.00 . A A . 7 LEU HB2 1 1
14 2499 1 1 7 LEU HB3 H 9.961 13.797 -2.893 1.00 . A A . 7 LEU HB3 1 1
14 2500 1 1 7 LEU HD11 H 9.693 17.479 -4.838 1.00 . A A . 7 LEU HD11 1 1
14 2501 1 1 7 LEU HD12 H 10.035 15.955 -5.656 1.00 . A A . 7 LEU HD12 1 1
14 2502 1 1 7 LEU HD13 H 11.338 16.845 -4.868 1.00 . A A . 7 LEU HD13 1 1
14 2503 1 1 7 LEU HD21 H 8.031 16.521 -3.869 1.00 . A A . 7 LEU HD21 1 1
14 2504 1 1 7 LEU HD22 H 8.439 16.306 -2.166 1.00 . A A . 7 LEU HD22 1 1
14 2505 1 1 7 LEU HD23 H 8.127 14.899 -3.184 1.00 . A A . 7 LEU HD23 1 1
14 2506 1 1 7 LEU HG H 10.585 16.310 -2.732 1.00 . A A . 7 LEU HG 1 1
14 2507 1 1 7 LEU N N 12.382 12.917 -4.176 1.00 . A A . 7 LEU N 1 1
14 2508 1 1 7 LEU O O 12.557 15.024 -1.312 1.00 . A A . 7 LEU O 1 1
14 2509 1 1 8 GLY C C 12.739 11.104 0.286 1.00 . A A . 8 GLY C 1 1
14 2510 1 1 8 GLY CA C 12.642 12.575 -0.066 1.00 . A A . 8 GLY CA 1 1
14 2511 1 1 8 GLY H H 12.134 12.026 -2.047 1.00 . A A . 8 GLY H 1 1
14 2512 1 1 8 GLY HA2 H 13.584 13.052 0.161 1.00 . A A . 8 GLY HA2 1 1
14 2513 1 1 8 GLY HA3 H 11.867 13.027 0.535 1.00 . A A . 8 GLY HA3 1 1
14 2514 1 1 8 GLY N N 12.333 12.791 -1.468 1.00 . A A . 8 GLY N 1 1
14 2515 1 1 8 GLY O O 13.816 10.607 0.620 1.00 . A A . 8 GLY O 1 1
14 2516 1 1 9 THR C C 10.246 8.361 0.110 1.00 . A A . 9 THR C 1 1
14 2517 1 1 9 THR CA C 11.573 8.982 0.530 1.00 . A A . 9 THR CA 1 1
14 2518 1 1 9 THR CB C 11.788 8.735 2.036 1.00 . A A . 9 THR CB 1 1
14 2519 1 1 9 THR CG2 C 10.566 9.164 2.834 1.00 . A A . 9 THR CG2 1 1
14 2520 1 1 9 THR H H 10.786 10.856 -0.059 1.00 . A A . 9 THR H 1 1
14 2521 1 1 9 THR HA H 12.374 8.498 -0.010 1.00 . A A . 9 THR HA 1 1
14 2522 1 1 9 THR HB H 12.637 9.319 2.363 1.00 . A A . 9 THR HB 1 1
14 2523 1 1 9 THR HG1 H 12.966 7.153 2.032 1.00 . A A . 9 THR HG1 1 1
14 2524 1 1 9 THR HG21 H 10.865 9.418 3.840 1.00 . A A . 9 THR HG21 1 1
14 2525 1 1 9 THR HG22 H 9.854 8.353 2.863 1.00 . A A . 9 THR HG22 1 1
14 2526 1 1 9 THR HG23 H 10.114 10.024 2.365 1.00 . A A . 9 THR HG23 1 1
14 2527 1 1 9 THR N N 11.612 10.404 0.214 1.00 . A A . 9 THR N 1 1
14 2528 1 1 9 THR O O 9.489 8.952 -0.660 1.00 . A A . 9 THR O 1 1
14 2529 1 1 9 THR OG1 O 12.057 7.349 2.272 1.00 . A A . 9 THR OG1 1 1
14 2530 1 1 10 TYR C C 7.519 7.343 0.572 1.00 . A A . 10 TYR C 1 1
14 2531 1 1 10 TYR CA C 8.734 6.463 0.295 1.00 . A A . 10 TYR CA 1 1
14 2532 1 1 10 TYR CB C 8.633 5.167 1.101 1.00 . A A . 10 TYR CB 1 1
14 2533 1 1 10 TYR CD1 C 8.006 2.802 0.477 1.00 . A A . 10 TYR CD1 1 1
14 2534 1 1 10 TYR CD2 C 9.764 3.857 -0.738 1.00 . A A . 10 TYR CD2 1 1
14 2535 1 1 10 TYR CE1 C 8.159 1.659 -0.284 1.00 . A A . 10 TYR CE1 1 1
14 2536 1 1 10 TYR CE2 C 9.923 2.719 -1.505 1.00 . A A . 10 TYR CE2 1 1
14 2537 1 1 10 TYR CG C 8.804 3.919 0.264 1.00 . A A . 10 TYR CG 1 1
14 2538 1 1 10 TYR CZ C 9.118 1.623 -1.274 1.00 . A A . 10 TYR CZ 1 1
14 2539 1 1 10 TYR H H 10.613 6.744 1.227 1.00 . A A . 10 TYR H 1 1
14 2540 1 1 10 TYR HA H 8.757 6.220 -0.757 1.00 . A A . 10 TYR HA 1 1
14 2541 1 1 10 TYR HB2 H 9.399 5.163 1.861 1.00 . A A . 10 TYR HB2 1 1
14 2542 1 1 10 TYR HB3 H 7.663 5.120 1.573 1.00 . A A . 10 TYR HB3 1 1
14 2543 1 1 10 TYR HD1 H 7.255 2.833 1.254 1.00 . A A . 10 TYR HD1 1 1
14 2544 1 1 10 TYR HD2 H 10.393 4.717 -0.916 1.00 . A A . 10 TYR HD2 1 1
14 2545 1 1 10 TYR HE1 H 7.528 0.800 -0.104 1.00 . A A . 10 TYR HE1 1 1
14 2546 1 1 10 TYR HE2 H 10.674 2.690 -2.280 1.00 . A A . 10 TYR HE2 1 1
14 2547 1 1 10 TYR HH H 8.518 -0.091 -1.906 1.00 . A A . 10 TYR HH 1 1
14 2548 1 1 10 TYR N N 9.970 7.165 0.620 1.00 . A A . 10 TYR N 1 1
14 2549 1 1 10 TYR O O 7.229 7.679 1.720 1.00 . A A . 10 TYR O 1 1
14 2550 1 1 10 TYR OH O 9.274 0.487 -2.035 1.00 . A A . 10 TYR OH 1 1
14 2551 1 1 11 VAL C C 4.487 8.030 -1.234 1.00 . A A . 11 VAL C 1 1
14 2552 1 1 11 VAL CA C 5.625 8.552 -0.364 1.00 . A A . 11 VAL CA 1 1
14 2553 1 1 11 VAL CB C 5.926 10.011 -0.755 1.00 . A A . 11 VAL CB 1 1
14 2554 1 1 11 VAL CG1 C 6.743 10.064 -2.037 1.00 . A A . 11 VAL CG1 1 1
14 2555 1 1 11 VAL CG2 C 4.634 10.800 -0.903 1.00 . A A . 11 VAL CG2 1 1
14 2556 1 1 11 VAL H H 7.091 7.413 -1.380 1.00 . A A . 11 VAL H 1 1
14 2557 1 1 11 VAL HA H 5.312 8.535 0.670 1.00 . A A . 11 VAL HA 1 1
14 2558 1 1 11 VAL HB H 6.509 10.461 0.036 1.00 . A A . 11 VAL HB 1 1
14 2559 1 1 11 VAL HG11 H 6.156 9.670 -2.854 1.00 . A A . 11 VAL HG11 1 1
14 2560 1 1 11 VAL HG12 H 7.016 11.087 -2.248 1.00 . A A . 11 VAL HG12 1 1
14 2561 1 1 11 VAL HG13 H 7.637 9.469 -1.918 1.00 . A A . 11 VAL HG13 1 1
14 2562 1 1 11 VAL HG21 H 4.091 10.440 -1.764 1.00 . A A . 11 VAL HG21 1 1
14 2563 1 1 11 VAL HG22 H 4.030 10.672 -0.017 1.00 . A A . 11 VAL HG22 1 1
14 2564 1 1 11 VAL HG23 H 4.864 11.847 -1.034 1.00 . A A . 11 VAL HG23 1 1
14 2565 1 1 11 VAL N N 6.810 7.713 -0.491 1.00 . A A . 11 VAL N 1 1
14 2566 1 1 11 VAL O O 4.456 8.264 -2.442 1.00 . A A . 11 VAL O 1 1
14 2567 1 1 12 CYS C C 1.722 7.834 -2.170 1.00 . A A . 12 CYS C 1 1
14 2568 1 1 12 CYS CA C 2.410 6.764 -1.326 1.00 . A A . 12 CYS CA 1 1
14 2569 1 1 12 CYS CB C 1.410 6.156 -0.340 1.00 . A A . 12 CYS CB 1 1
14 2570 1 1 12 CYS H H 3.631 7.167 0.355 1.00 . A A . 12 CYS H 1 1
14 2571 1 1 12 CYS HA H 2.775 5.987 -1.981 1.00 . A A . 12 CYS HA 1 1
14 2572 1 1 12 CYS HB2 H 1.509 6.653 0.613 1.00 . A A . 12 CYS HB2 1 1
14 2573 1 1 12 CYS HB3 H 0.409 6.306 -0.716 1.00 . A A . 12 CYS HB3 1 1
14 2574 1 1 12 CYS N N 3.551 7.321 -0.611 1.00 . A A . 12 CYS N 1 1
14 2575 1 1 12 CYS O O 1.432 8.928 -1.685 1.00 . A A . 12 CYS O 1 1
14 2576 1 1 12 CYS SG S 1.637 4.370 -0.059 1.00 . A A . 12 CYS SG 1 1
15 2577 1 1 1 ALA C C 2.862 1.666 -1.623 1.00 . A A . 1 ALA C 1 1
15 2578 1 1 1 ALA CA C 2.076 0.368 -1.480 1.00 . A A . 1 ALA CA 1 1
15 2579 1 1 1 ALA CB C 1.592 -0.112 -2.840 1.00 . A A . 1 ALA CB 1 1
15 2580 1 1 1 ALA H1 H 0.735 1.429 -0.234 1.00 . A A . 1 ALA H1 1 1
15 2581 1 1 1 ALA HA H 2.726 -0.391 -1.068 1.00 . A A . 1 ALA HA 1 1
15 2582 1 1 1 ALA HB1 H 2.435 -0.201 -3.510 1.00 . A A . 1 ALA HB1 1 1
15 2583 1 1 1 ALA HB2 H 1.113 -1.074 -2.733 1.00 . A A . 1 ALA HB2 1 1
15 2584 1 1 1 ALA HB3 H 0.886 0.599 -3.242 1.00 . A A . 1 ALA HB3 1 1
15 2585 1 1 1 ALA N N 0.948 0.535 -0.572 1.00 . A A . 1 ALA N 1 1
15 2586 1 1 1 ALA O O 2.440 2.585 -2.327 1.00 . A A . 1 ALA O 1 1
15 2587 1 1 2 CYS C C 5.979 2.745 -2.018 1.00 . A A . 2 CYS C 1 1
15 2588 1 1 2 CYS CA C 4.852 2.924 -1.004 1.00 . A A . 2 CYS CA 1 1
15 2589 1 1 2 CYS CB C 5.437 3.219 0.378 1.00 . A A . 2 CYS CB 1 1
15 2590 1 1 2 CYS H H 4.290 0.972 -0.409 1.00 . A A . 2 CYS H 1 1
15 2591 1 1 2 CYS HA H 4.237 3.756 -1.311 1.00 . A A . 2 CYS HA 1 1
15 2592 1 1 2 CYS HB2 H 6.031 2.375 0.697 1.00 . A A . 2 CYS HB2 1 1
15 2593 1 1 2 CYS HB3 H 6.069 4.093 0.314 1.00 . A A . 2 CYS HB3 1 1
15 2594 1 1 2 CYS N N 4.007 1.737 -0.953 1.00 . A A . 2 CYS N 1 1
15 2595 1 1 2 CYS O O 6.250 1.633 -2.471 1.00 . A A . 2 CYS O 1 1
15 2596 1 1 2 CYS SG S 4.185 3.531 1.664 1.00 . A A . 2 CYS SG 1 1
15 2597 1 1 3 PHE C C 8.724 4.937 -3.056 1.00 . A A . 3 PHE C 1 1
15 2598 1 1 3 PHE CA C 7.728 3.815 -3.330 1.00 . A A . 3 PHE CA 1 1
15 2599 1 1 3 PHE CB C 7.188 3.933 -4.757 1.00 . A A . 3 PHE CB 1 1
15 2600 1 1 3 PHE CD1 C 4.770 3.263 -4.812 1.00 . A A . 3 PHE CD1 1 1
15 2601 1 1 3 PHE CD2 C 5.304 5.586 -4.883 1.00 . A A . 3 PHE CD2 1 1
15 2602 1 1 3 PHE CE1 C 3.423 3.567 -4.868 1.00 . A A . 3 PHE CE1 1 1
15 2603 1 1 3 PHE CE2 C 3.958 5.896 -4.939 1.00 . A A . 3 PHE CE2 1 1
15 2604 1 1 3 PHE CG C 5.725 4.268 -4.818 1.00 . A A . 3 PHE CG 1 1
15 2605 1 1 3 PHE CZ C 3.017 4.886 -4.933 1.00 . A A . 3 PHE CZ 1 1
15 2606 1 1 3 PHE H H 6.368 4.706 -1.973 1.00 . A A . 3 PHE H 1 1
15 2607 1 1 3 PHE HA H 8.232 2.867 -3.222 1.00 . A A . 3 PHE HA 1 1
15 2608 1 1 3 PHE HB2 H 7.727 4.712 -5.275 1.00 . A A . 3 PHE HB2 1 1
15 2609 1 1 3 PHE HB3 H 7.337 2.995 -5.269 1.00 . A A . 3 PHE HB3 1 1
15 2610 1 1 3 PHE HD1 H 5.087 2.231 -4.762 1.00 . A A . 3 PHE HD1 1 1
15 2611 1 1 3 PHE HD2 H 6.039 6.378 -4.889 1.00 . A A . 3 PHE HD2 1 1
15 2612 1 1 3 PHE HE1 H 2.690 2.775 -4.863 1.00 . A A . 3 PHE HE1 1 1
15 2613 1 1 3 PHE HE2 H 3.643 6.928 -4.990 1.00 . A A . 3 PHE HE2 1 1
15 2614 1 1 3 PHE HZ H 1.965 5.126 -4.976 1.00 . A A . 3 PHE HZ 1 1
15 2615 1 1 3 PHE N N 6.631 3.849 -2.369 1.00 . A A . 3 PHE N 1 1
15 2616 1 1 3 PHE O O 8.338 6.079 -2.805 1.00 . A A . 3 PHE O 1 1
15 2617 1 1 4 LEU C C 11.129 6.605 -3.995 1.00 . A A . 4 LEU C 1 1
15 2618 1 1 4 LEU CA C 11.064 5.583 -2.865 1.00 . A A . 4 LEU CA 1 1
15 2619 1 1 4 LEU CB C 12.415 4.881 -2.718 1.00 . A A . 4 LEU CB 1 1
15 2620 1 1 4 LEU CD1 C 13.776 6.866 -2.019 1.00 . A A . 4 LEU CD1 1 1
15 2621 1 1 4 LEU CD2 C 14.904 4.869 -3.018 1.00 . A A . 4 LEU CD2 1 1
15 2622 1 1 4 LEU CG C 13.649 5.731 -3.023 1.00 . A A . 4 LEU CG 1 1
15 2623 1 1 4 LEU H H 10.256 3.679 -3.312 1.00 . A A . 4 LEU H 1 1
15 2624 1 1 4 LEU HA H 10.833 6.097 -1.944 1.00 . A A . 4 LEU HA 1 1
15 2625 1 1 4 LEU HB2 H 12.497 4.532 -1.701 1.00 . A A . 4 LEU HB2 1 1
15 2626 1 1 4 LEU HB3 H 12.421 4.034 -3.390 1.00 . A A . 4 LEU HB3 1 1
15 2627 1 1 4 LEU HD11 H 13.106 7.666 -2.295 1.00 . A A . 4 LEU HD11 1 1
15 2628 1 1 4 LEU HD12 H 14.792 7.233 -2.017 1.00 . A A . 4 LEU HD12 1 1
15 2629 1 1 4 LEU HD13 H 13.522 6.506 -1.033 1.00 . A A . 4 LEU HD13 1 1
15 2630 1 1 4 LEU HD21 H 15.771 5.497 -3.162 1.00 . A A . 4 LEU HD21 1 1
15 2631 1 1 4 LEU HD22 H 14.846 4.146 -3.818 1.00 . A A . 4 LEU HD22 1 1
15 2632 1 1 4 LEU HD23 H 14.984 4.356 -2.072 1.00 . A A . 4 LEU HD23 1 1
15 2633 1 1 4 LEU HG H 13.545 6.166 -4.007 1.00 . A A . 4 LEU HG 1 1
15 2634 1 1 4 LEU N N 10.009 4.604 -3.107 1.00 . A A . 4 LEU N 1 1
15 2635 1 1 4 LEU O O 11.471 6.271 -5.130 1.00 . A A . 4 LEU O 1 1
15 2636 1 1 5 THR C C 12.067 9.790 -4.511 1.00 . A A . 5 THR C 1 1
15 2637 1 1 5 THR CA C 10.821 8.925 -4.665 1.00 . A A . 5 THR CA 1 1
15 2638 1 1 5 THR CB C 9.572 9.818 -4.553 1.00 . A A . 5 THR CB 1 1
15 2639 1 1 5 THR CG2 C 8.494 9.366 -5.527 1.00 . A A . 5 THR CG2 1 1
15 2640 1 1 5 THR H H 10.535 8.057 -2.756 1.00 . A A . 5 THR H 1 1
15 2641 1 1 5 THR HA H 10.828 8.473 -5.647 1.00 . A A . 5 THR HA 1 1
15 2642 1 1 5 THR HB H 9.851 10.834 -4.794 1.00 . A A . 5 THR HB 1 1
15 2643 1 1 5 THR HG1 H 8.778 10.659 -2.956 1.00 . A A . 5 THR HG1 1 1
15 2644 1 1 5 THR HG21 H 8.953 8.855 -6.360 1.00 . A A . 5 THR HG21 1 1
15 2645 1 1 5 THR HG22 H 7.951 10.227 -5.887 1.00 . A A . 5 THR HG22 1 1
15 2646 1 1 5 THR HG23 H 7.814 8.695 -5.024 1.00 . A A . 5 THR HG23 1 1
15 2647 1 1 5 THR N N 10.800 7.853 -3.677 1.00 . A A . 5 THR N 1 1
15 2648 1 1 5 THR O O 12.731 9.758 -3.475 1.00 . A A . 5 THR O 1 1
15 2649 1 1 5 THR OG1 O 9.061 9.779 -3.216 1.00 . A A . 5 THR OG1 1 1
15 2650 1 1 6 ARG C C 13.222 12.755 -4.827 1.00 . A A . 6 ARG C 1 1
15 2651 1 1 6 ARG CA C 13.544 11.437 -5.525 1.00 . A A . 6 ARG CA 1 1
15 2652 1 1 6 ARG CB C 14.031 11.708 -6.950 1.00 . A A . 6 ARG CB 1 1
15 2653 1 1 6 ARG CD C 14.212 9.242 -7.402 1.00 . A A . 6 ARG CD 1 1
15 2654 1 1 6 ARG CG C 13.720 10.583 -7.924 1.00 . A A . 6 ARG CG 1 1
15 2655 1 1 6 ARG CZ C 12.631 7.517 -8.157 1.00 . A A . 6 ARG CZ 1 1
15 2656 1 1 6 ARG H H 11.808 10.544 -6.345 1.00 . A A . 6 ARG H 1 1
15 2657 1 1 6 ARG HA H 14.325 10.934 -4.976 1.00 . A A . 6 ARG HA 1 1
15 2658 1 1 6 ARG HB2 H 13.560 12.610 -7.313 1.00 . A A . 6 ARG HB2 1 1
15 2659 1 1 6 ARG HB3 H 15.100 11.852 -6.930 1.00 . A A . 6 ARG HB3 1 1
15 2660 1 1 6 ARG HD2 H 14.905 8.825 -8.118 1.00 . A A . 6 ARG HD2 1 1
15 2661 1 1 6 ARG HD3 H 14.718 9.401 -6.462 1.00 . A A . 6 ARG HD3 1 1
15 2662 1 1 6 ARG HE H 12.724 8.245 -6.303 1.00 . A A . 6 ARG HE 1 1
15 2663 1 1 6 ARG HG2 H 12.651 10.530 -8.068 1.00 . A A . 6 ARG HG2 1 1
15 2664 1 1 6 ARG HG3 H 14.202 10.793 -8.867 1.00 . A A . 6 ARG HG3 1 1
15 2665 1 1 6 ARG HH11 H 13.896 8.193 -9.580 1.00 . A A . 6 ARG HH11 1 1
15 2666 1 1 6 ARG HH12 H 12.776 6.977 -10.099 1.00 . A A . 6 ARG HH12 1 1
15 2667 1 1 6 ARG HH21 H 11.245 6.644 -6.974 1.00 . A A . 6 ARG HH21 1 1
15 2668 1 1 6 ARG HH22 H 11.268 6.097 -8.616 1.00 . A A . 6 ARG HH22 1 1
15 2669 1 1 6 ARG N N 12.377 10.563 -5.546 1.00 . A A . 6 ARG N 1 1
15 2670 1 1 6 ARG NE N 13.116 8.298 -7.198 1.00 . A A . 6 ARG NE 1 1
15 2671 1 1 6 ARG NH1 N 13.143 7.567 -9.379 1.00 . A A . 6 ARG NH1 1 1
15 2672 1 1 6 ARG NH2 N 11.633 6.684 -7.894 1.00 . A A . 6 ARG NH2 1 1
15 2673 1 1 6 ARG O O 14.058 13.658 -4.767 1.00 . A A . 6 ARG O 1 1
15 2674 1 1 7 LEU C C 11.994 14.032 -2.140 1.00 . A A . 7 LEU C 1 1
15 2675 1 1 7 LEU CA C 11.575 14.067 -3.606 1.00 . A A . 7 LEU CA 1 1
15 2676 1 1 7 LEU CB C 10.057 14.223 -3.710 1.00 . A A . 7 LEU CB 1 1
15 2677 1 1 7 LEU CD1 C 8.280 15.811 -4.486 1.00 . A A . 7 LEU CD1 1 1
15 2678 1 1 7 LEU CD2 C 9.218 16.020 -2.176 1.00 . A A . 7 LEU CD2 1 1
15 2679 1 1 7 LEU CG C 9.521 15.652 -3.622 1.00 . A A . 7 LEU CG 1 1
15 2680 1 1 7 LEU H H 11.386 12.106 -4.379 1.00 . A A . 7 LEU H 1 1
15 2681 1 1 7 LEU HA H 12.049 14.911 -4.084 1.00 . A A . 7 LEU HA 1 1
15 2682 1 1 7 LEU HB2 H 9.746 13.812 -4.658 1.00 . A A . 7 LEU HB2 1 1
15 2683 1 1 7 LEU HB3 H 9.611 13.651 -2.908 1.00 . A A . 7 LEU HB3 1 1
15 2684 1 1 7 LEU HD11 H 7.961 16.843 -4.472 1.00 . A A . 7 LEU HD11 1 1
15 2685 1 1 7 LEU HD12 H 7.489 15.185 -4.099 1.00 . A A . 7 LEU HD12 1 1
15 2686 1 1 7 LEU HD13 H 8.507 15.518 -5.500 1.00 . A A . 7 LEU HD13 1 1
15 2687 1 1 7 LEU HD21 H 9.308 17.089 -2.051 1.00 . A A . 7 LEU HD21 1 1
15 2688 1 1 7 LEU HD22 H 9.919 15.520 -1.523 1.00 . A A . 7 LEU HD22 1 1
15 2689 1 1 7 LEU HD23 H 8.213 15.712 -1.930 1.00 . A A . 7 LEU HD23 1 1
15 2690 1 1 7 LEU HG H 10.274 16.335 -3.991 1.00 . A A . 7 LEU HG 1 1
15 2691 1 1 7 LEU N N 12.007 12.859 -4.300 1.00 . A A . 7 LEU N 1 1
15 2692 1 1 7 LEU O O 12.236 15.072 -1.528 1.00 . A A . 7 LEU O 1 1
15 2693 1 1 8 GLY C C 12.663 11.230 0.205 1.00 . A A . 8 GLY C 1 1
15 2694 1 1 8 GLY CA C 12.474 12.680 -0.193 1.00 . A A . 8 GLY CA 1 1
15 2695 1 1 8 GLY H H 11.877 12.034 -2.119 1.00 . A A . 8 GLY H 1 1
15 2696 1 1 8 GLY HA2 H 13.402 13.210 -0.035 1.00 . A A . 8 GLY HA2 1 1
15 2697 1 1 8 GLY HA3 H 11.710 13.116 0.433 1.00 . A A . 8 GLY HA3 1 1
15 2698 1 1 8 GLY N N 12.081 12.828 -1.582 1.00 . A A . 8 GLY N 1 1
15 2699 1 1 8 GLY O O 13.782 10.793 0.477 1.00 . A A . 8 GLY O 1 1
15 2700 1 1 9 THR C C 10.340 8.348 0.193 1.00 . A A . 9 THR C 1 1
15 2701 1 1 9 THR CA C 11.615 9.071 0.611 1.00 . A A . 9 THR CA 1 1
15 2702 1 1 9 THR CB C 11.818 8.896 2.128 1.00 . A A . 9 THR CB 1 1
15 2703 1 1 9 THR CG2 C 13.056 8.060 2.416 1.00 . A A . 9 THR CG2 1 1
15 2704 1 1 9 THR H H 10.704 10.885 0.013 1.00 . A A . 9 THR H 1 1
15 2705 1 1 9 THR HA H 12.456 8.621 0.103 1.00 . A A . 9 THR HA 1 1
15 2706 1 1 9 THR HB H 10.956 8.387 2.534 1.00 . A A . 9 THR HB 1 1
15 2707 1 1 9 THR HG1 H 12.406 10.078 3.593 1.00 . A A . 9 THR HG1 1 1
15 2708 1 1 9 THR HG21 H 13.491 8.372 3.354 1.00 . A A . 9 THR HG21 1 1
15 2709 1 1 9 THR HG22 H 13.775 8.196 1.622 1.00 . A A . 9 THR HG22 1 1
15 2710 1 1 9 THR HG23 H 12.780 7.018 2.476 1.00 . A A . 9 THR HG23 1 1
15 2711 1 1 9 THR N N 11.566 10.480 0.241 1.00 . A A . 9 THR N 1 1
15 2712 1 1 9 THR O O 9.521 8.892 -0.547 1.00 . A A . 9 THR O 1 1
15 2713 1 1 9 THR OG1 O 11.944 10.176 2.757 1.00 . A A . 9 THR OG1 1 1
15 2714 1 1 10 TYR C C 7.727 7.144 0.495 1.00 . A A . 10 TYR C 1 1
15 2715 1 1 10 TYR CA C 9.002 6.321 0.347 1.00 . A A . 10 TYR CA 1 1
15 2716 1 1 10 TYR CB C 8.933 5.086 1.247 1.00 . A A . 10 TYR CB 1 1
15 2717 1 1 10 TYR CD1 C 8.721 2.615 0.774 1.00 . A A . 10 TYR CD1 1 1
15 2718 1 1 10 TYR CD2 C 10.492 3.814 -0.280 1.00 . A A . 10 TYR CD2 1 1
15 2719 1 1 10 TYR CE1 C 9.136 1.451 0.156 1.00 . A A . 10 TYR CE1 1 1
15 2720 1 1 10 TYR CE2 C 10.912 2.655 -0.903 1.00 . A A . 10 TYR CE2 1 1
15 2721 1 1 10 TYR CG C 9.390 3.815 0.567 1.00 . A A . 10 TYR CG 1 1
15 2722 1 1 10 TYR CZ C 10.231 1.476 -0.682 1.00 . A A . 10 TYR CZ 1 1
15 2723 1 1 10 TYR H H 10.866 6.740 1.258 1.00 . A A . 10 TYR H 1 1
15 2724 1 1 10 TYR HA H 9.093 6.001 -0.681 1.00 . A A . 10 TYR HA 1 1
15 2725 1 1 10 TYR HB2 H 9.560 5.243 2.111 1.00 . A A . 10 TYR HB2 1 1
15 2726 1 1 10 TYR HB3 H 7.913 4.942 1.570 1.00 . A A . 10 TYR HB3 1 1
15 2727 1 1 10 TYR HD1 H 7.864 2.598 1.430 1.00 . A A . 10 TYR HD1 1 1
15 2728 1 1 10 TYR HD2 H 11.023 4.739 -0.450 1.00 . A A . 10 TYR HD2 1 1
15 2729 1 1 10 TYR HE1 H 8.603 0.527 0.328 1.00 . A A . 10 TYR HE1 1 1
15 2730 1 1 10 TYR HE2 H 11.770 2.675 -1.559 1.00 . A A . 10 TYR HE2 1 1
15 2731 1 1 10 TYR HH H 10.598 0.430 -2.253 1.00 . A A . 10 TYR HH 1 1
15 2732 1 1 10 TYR N N 10.178 7.120 0.673 1.00 . A A . 10 TYR N 1 1
15 2733 1 1 10 TYR O O 7.461 7.714 1.554 1.00 . A A . 10 TYR O 1 1
15 2734 1 1 10 TYR OH O 10.648 0.320 -1.300 1.00 . A A . 10 TYR OH 1 1
15 2735 1 1 11 VAL C C 4.550 7.132 -1.158 1.00 . A A . 11 VAL C 1 1
15 2736 1 1 11 VAL CA C 5.690 7.953 -0.565 1.00 . A A . 11 VAL CA 1 1
15 2737 1 1 11 VAL CB C 5.822 9.271 -1.351 1.00 . A A . 11 VAL CB 1 1
15 2738 1 1 11 VAL CG1 C 6.313 9.003 -2.765 1.00 . A A . 11 VAL CG1 1 1
15 2739 1 1 11 VAL CG2 C 4.494 10.014 -1.371 1.00 . A A . 11 VAL CG2 1 1
15 2740 1 1 11 VAL H H 7.205 6.726 -1.389 1.00 . A A . 11 VAL H 1 1
15 2741 1 1 11 VAL HA H 5.452 8.192 0.461 1.00 . A A . 11 VAL HA 1 1
15 2742 1 1 11 VAL HB H 6.550 9.893 -0.852 1.00 . A A . 11 VAL HB 1 1
15 2743 1 1 11 VAL HG11 H 6.535 9.941 -3.252 1.00 . A A . 11 VAL HG11 1 1
15 2744 1 1 11 VAL HG12 H 7.206 8.396 -2.727 1.00 . A A . 11 VAL HG12 1 1
15 2745 1 1 11 VAL HG13 H 5.546 8.483 -3.320 1.00 . A A . 11 VAL HG13 1 1
15 2746 1 1 11 VAL HG21 H 4.671 11.061 -1.567 1.00 . A A . 11 VAL HG21 1 1
15 2747 1 1 11 VAL HG22 H 3.863 9.604 -2.146 1.00 . A A . 11 VAL HG22 1 1
15 2748 1 1 11 VAL HG23 H 4.005 9.904 -0.414 1.00 . A A . 11 VAL HG23 1 1
15 2749 1 1 11 VAL N N 6.939 7.202 -0.574 1.00 . A A . 11 VAL N 1 1
15 2750 1 1 11 VAL O O 4.705 6.499 -2.203 1.00 . A A . 11 VAL O 1 1
15 2751 1 1 12 CYS C C 0.969 7.240 -0.799 1.00 . A A . 12 CYS C 1 1
15 2752 1 1 12 CYS CA C 2.238 6.404 -0.944 1.00 . A A . 12 CYS CA 1 1
15 2753 1 1 12 CYS CB C 2.095 5.100 -0.157 1.00 . A A . 12 CYS CB 1 1
15 2754 1 1 12 CYS H H 3.343 7.670 0.342 1.00 . A A . 12 CYS H 1 1
15 2755 1 1 12 CYS HA H 2.383 6.170 -1.988 1.00 . A A . 12 CYS HA 1 1
15 2756 1 1 12 CYS HB2 H 1.055 4.955 0.099 1.00 . A A . 12 CYS HB2 1 1
15 2757 1 1 12 CYS HB3 H 2.426 4.278 -0.774 1.00 . A A . 12 CYS HB3 1 1
15 2758 1 1 12 CYS N N 3.405 7.147 -0.485 1.00 . A A . 12 CYS N 1 1
15 2759 1 1 12 CYS O O 0.997 8.461 -0.959 1.00 . A A . 12 CYS O 1 1
15 2760 1 1 12 CYS SG S 3.056 5.056 1.390 1.00 . A A . 12 CYS SG 1 1
16 2761 1 1 1 ALA C C 2.890 1.650 -1.512 1.00 . A A . 1 ALA C 1 1
16 2762 1 1 1 ALA CA C 2.109 0.350 -1.352 1.00 . A A . 1 ALA CA 1 1
16 2763 1 1 1 ALA CB C 2.545 -0.663 -2.401 1.00 . A A . 1 ALA CB 1 1
16 2764 1 1 1 ALA H1 H 0.293 1.386 -1.025 1.00 . A A . 1 ALA H1 1 1
16 2765 1 1 1 ALA HA H 2.317 -0.066 -0.377 1.00 . A A . 1 ALA HA 1 1
16 2766 1 1 1 ALA HB1 H 2.928 -1.545 -1.910 1.00 . A A . 1 ALA HB1 1 1
16 2767 1 1 1 ALA HB2 H 1.699 -0.931 -3.016 1.00 . A A . 1 ALA HB2 1 1
16 2768 1 1 1 ALA HB3 H 3.318 -0.230 -3.019 1.00 . A A . 1 ALA HB3 1 1
16 2769 1 1 1 ALA N N 0.673 0.586 -1.444 1.00 . A A . 1 ALA N 1 1
16 2770 1 1 1 ALA O O 2.461 2.561 -2.220 1.00 . A A . 1 ALA O 1 1
16 2771 1 1 2 CYS C C 6.000 2.735 -1.935 1.00 . A A . 2 CYS C 1 1
16 2772 1 1 2 CYS CA C 4.880 2.918 -0.916 1.00 . A A . 2 CYS CA 1 1
16 2773 1 1 2 CYS CB C 5.473 3.227 0.460 1.00 . A A . 2 CYS CB 1 1
16 2774 1 1 2 CYS H H 4.328 0.970 -0.300 1.00 . A A . 2 CYS H 1 1
16 2775 1 1 2 CYS HA H 4.260 3.746 -1.225 1.00 . A A . 2 CYS HA 1 1
16 2776 1 1 2 CYS HB2 H 6.072 2.387 0.782 1.00 . A A . 2 CYS HB2 1 1
16 2777 1 1 2 CYS HB3 H 6.102 4.102 0.385 1.00 . A A . 2 CYS HB3 1 1
16 2778 1 1 2 CYS N N 4.039 1.730 -0.849 1.00 . A A . 2 CYS N 1 1
16 2779 1 1 2 CYS O O 6.272 1.620 -2.381 1.00 . A A . 2 CYS O 1 1
16 2780 1 1 2 CYS SG S 4.229 3.547 1.752 1.00 . A A . 2 CYS SG 1 1
16 2781 1 1 3 PHE C C 8.732 4.927 -3.010 1.00 . A A . 3 PHE C 1 1
16 2782 1 1 3 PHE CA C 7.737 3.799 -3.268 1.00 . A A . 3 PHE CA 1 1
16 2783 1 1 3 PHE CB C 7.188 3.904 -4.692 1.00 . A A . 3 PHE CB 1 1
16 2784 1 1 3 PHE CD1 C 4.772 3.226 -4.726 1.00 . A A . 3 PHE CD1 1 1
16 2785 1 1 3 PHE CD2 C 5.298 5.550 -4.819 1.00 . A A . 3 PHE CD2 1 1
16 2786 1 1 3 PHE CE1 C 3.424 3.526 -4.776 1.00 . A A . 3 PHE CE1 1 1
16 2787 1 1 3 PHE CE2 C 3.952 5.856 -4.869 1.00 . A A . 3 PHE CE2 1 1
16 2788 1 1 3 PHE CG C 5.723 4.233 -4.747 1.00 . A A . 3 PHE CG 1 1
16 2789 1 1 3 PHE CZ C 3.013 4.843 -4.848 1.00 . A A . 3 PHE CZ 1 1
16 2790 1 1 3 PHE H H 6.384 4.697 -1.909 1.00 . A A . 3 PHE H 1 1
16 2791 1 1 3 PHE HA H 8.246 2.854 -3.155 1.00 . A A . 3 PHE HA 1 1
16 2792 1 1 3 PHE HB2 H 7.722 4.679 -5.220 1.00 . A A . 3 PHE HB2 1 1
16 2793 1 1 3 PHE HB3 H 7.337 2.961 -5.197 1.00 . A A . 3 PHE HB3 1 1
16 2794 1 1 3 PHE HD1 H 5.092 2.195 -4.670 1.00 . A A . 3 PHE HD1 1 1
16 2795 1 1 3 PHE HD2 H 6.031 6.343 -4.836 1.00 . A A . 3 PHE HD2 1 1
16 2796 1 1 3 PHE HE1 H 2.693 2.731 -4.760 1.00 . A A . 3 PHE HE1 1 1
16 2797 1 1 3 PHE HE2 H 3.633 6.886 -4.925 1.00 . A A . 3 PHE HE2 1 1
16 2798 1 1 3 PHE HZ H 1.960 5.079 -4.887 1.00 . A A . 3 PHE HZ 1 1
16 2799 1 1 3 PHE N N 6.647 3.837 -2.300 1.00 . A A . 3 PHE N 1 1
16 2800 1 1 3 PHE O O 8.343 6.070 -2.766 1.00 . A A . 3 PHE O 1 1
16 2801 1 1 4 LEU C C 11.124 6.595 -3.978 1.00 . A A . 4 LEU C 1 1
16 2802 1 1 4 LEU CA C 11.071 5.582 -2.839 1.00 . A A . 4 LEU CA 1 1
16 2803 1 1 4 LEU CB C 12.425 4.886 -2.698 1.00 . A A . 4 LEU CB 1 1
16 2804 1 1 4 LEU CD1 C 13.785 6.881 -2.025 1.00 . A A . 4 LEU CD1 1 1
16 2805 1 1 4 LEU CD2 C 14.912 4.880 -3.017 1.00 . A A . 4 LEU CD2 1 1
16 2806 1 1 4 LEU CG C 13.654 5.737 -3.018 1.00 . A A . 4 LEU CG 1 1
16 2807 1 1 4 LEU H H 10.267 3.671 -3.266 1.00 . A A . 4 LEU H 1 1
16 2808 1 1 4 LEU HA H 10.845 6.102 -1.921 1.00 . A A . 4 LEU HA 1 1
16 2809 1 1 4 LEU HB2 H 12.517 4.545 -1.678 1.00 . A A . 4 LEU HB2 1 1
16 2810 1 1 4 LEU HB3 H 12.429 4.033 -3.362 1.00 . A A . 4 LEU HB3 1 1
16 2811 1 1 4 LEU HD11 H 12.805 7.170 -1.678 1.00 . A A . 4 LEU HD11 1 1
16 2812 1 1 4 LEU HD12 H 14.260 7.723 -2.506 1.00 . A A . 4 LEU HD12 1 1
16 2813 1 1 4 LEU HD13 H 14.386 6.561 -1.185 1.00 . A A . 4 LEU HD13 1 1
16 2814 1 1 4 LEU HD21 H 15.777 5.512 -2.882 1.00 . A A . 4 LEU HD21 1 1
16 2815 1 1 4 LEU HD22 H 14.992 4.357 -3.959 1.00 . A A . 4 LEU HD22 1 1
16 2816 1 1 4 LEU HD23 H 14.859 4.164 -2.210 1.00 . A A . 4 LEU HD23 1 1
16 2817 1 1 4 LEU HG H 13.541 6.164 -4.005 1.00 . A A . 4 LEU HG 1 1
16 2818 1 1 4 LEU N N 10.018 4.598 -3.067 1.00 . A A . 4 LEU N 1 1
16 2819 1 1 4 LEU O O 11.457 6.254 -5.114 1.00 . A A . 4 LEU O 1 1
16 2820 1 1 5 THR C C 12.049 9.780 -4.524 1.00 . A A . 5 THR C 1 1
16 2821 1 1 5 THR CA C 10.806 8.909 -4.663 1.00 . A A . 5 THR CA 1 1
16 2822 1 1 5 THR CB C 9.554 9.799 -4.548 1.00 . A A . 5 THR CB 1 1
16 2823 1 1 5 THR CG2 C 8.470 9.336 -5.510 1.00 . A A . 5 THR CG2 1 1
16 2824 1 1 5 THR H H 10.538 8.055 -2.745 1.00 . A A . 5 THR H 1 1
16 2825 1 1 5 THR HA H 10.807 8.450 -5.641 1.00 . A A . 5 THR HA 1 1
16 2826 1 1 5 THR HB H 9.828 10.814 -4.800 1.00 . A A . 5 THR HB 1 1
16 2827 1 1 5 THR HG1 H 9.699 10.165 -2.616 1.00 . A A . 5 THR HG1 1 1
16 2828 1 1 5 THR HG21 H 7.920 10.191 -5.872 1.00 . A A . 5 THR HG21 1 1
16 2829 1 1 5 THR HG22 H 7.796 8.666 -4.996 1.00 . A A . 5 THR HG22 1 1
16 2830 1 1 5 THR HG23 H 8.925 8.821 -6.343 1.00 . A A . 5 THR HG23 1 1
16 2831 1 1 5 THR N N 10.795 7.845 -3.667 1.00 . A A . 5 THR N 1 1
16 2832 1 1 5 THR O O 12.721 9.758 -3.493 1.00 . A A . 5 THR O 1 1
16 2833 1 1 5 THR OG1 O 9.054 9.770 -3.207 1.00 . A A . 5 THR OG1 1 1
16 2834 1 1 6 ARG C C 13.192 12.746 -4.870 1.00 . A A . 6 ARG C 1 1
16 2835 1 1 6 ARG CA C 13.513 11.424 -5.562 1.00 . A A . 6 ARG CA 1 1
16 2836 1 1 6 ARG CB C 13.988 11.687 -6.992 1.00 . A A . 6 ARG CB 1 1
16 2837 1 1 6 ARG CD C 14.175 9.218 -7.428 1.00 . A A . 6 ARG CD 1 1
16 2838 1 1 6 ARG CG C 13.674 10.554 -7.955 1.00 . A A . 6 ARG CG 1 1
16 2839 1 1 6 ARG CZ C 12.596 7.482 -8.158 1.00 . A A . 6 ARG CZ 1 1
16 2840 1 1 6 ARG H H 11.775 10.520 -6.362 1.00 . A A . 6 ARG H 1 1
16 2841 1 1 6 ARG HA H 14.301 10.928 -5.015 1.00 . A A . 6 ARG HA 1 1
16 2842 1 1 6 ARG HB2 H 13.512 12.584 -7.358 1.00 . A A . 6 ARG HB2 1 1
16 2843 1 1 6 ARG HB3 H 15.057 11.835 -6.981 1.00 . A A . 6 ARG HB3 1 1
16 2844 1 1 6 ARG HD2 H 14.864 8.799 -8.145 1.00 . A A . 6 ARG HD2 1 1
16 2845 1 1 6 ARG HD3 H 14.687 9.386 -6.492 1.00 . A A . 6 ARG HD3 1 1
16 2846 1 1 6 ARG HE H 12.697 8.225 -6.310 1.00 . A A . 6 ARG HE 1 1
16 2847 1 1 6 ARG HG2 H 12.604 10.496 -8.092 1.00 . A A . 6 ARG HG2 1 1
16 2848 1 1 6 ARG HG3 H 14.149 10.758 -8.903 1.00 . A A . 6 ARG HG3 1 1
16 2849 1 1 6 ARG HH11 H 13.848 8.150 -9.595 1.00 . A A . 6 ARG HH11 1 1
16 2850 1 1 6 ARG HH12 H 12.730 6.926 -10.096 1.00 . A A . 6 ARG HH12 1 1
16 2851 1 1 6 ARG HH21 H 11.220 6.613 -6.958 1.00 . A A . 6 ARG HH21 1 1
16 2852 1 1 6 ARG HH22 H 11.235 6.052 -8.596 1.00 . A A . 6 ARG HH22 1 1
16 2853 1 1 6 ARG N N 12.349 10.546 -5.568 1.00 . A A . 6 ARG N 1 1
16 2854 1 1 6 ARG NE N 13.084 8.272 -7.209 1.00 . A A . 6 ARG NE 1 1
16 2855 1 1 6 ARG NH1 N 13.099 7.523 -9.384 1.00 . A A . 6 ARG NH1 1 1
16 2856 1 1 6 ARG NH2 N 11.602 6.647 -7.881 1.00 . A A . 6 ARG NH2 1 1
16 2857 1 1 6 ARG O O 14.025 13.653 -4.823 1.00 . A A . 6 ARG O 1 1
16 2858 1 1 7 LEU C C 11.980 14.039 -2.184 1.00 . A A . 7 LEU C 1 1
16 2859 1 1 7 LEU CA C 11.549 14.061 -3.647 1.00 . A A . 7 LEU CA 1 1
16 2860 1 1 7 LEU CB C 10.030 14.211 -3.740 1.00 . A A . 7 LEU CB 1 1
16 2861 1 1 7 LEU CD1 C 7.900 14.077 -5.054 1.00 . A A . 7 LEU CD1 1 1
16 2862 1 1 7 LEU CD2 C 9.980 14.947 -6.136 1.00 . A A . 7 LEU CD2 1 1
16 2863 1 1 7 LEU CG C 9.415 13.967 -5.119 1.00 . A A . 7 LEU CG 1 1
16 2864 1 1 7 LEU H H 11.361 12.094 -4.405 1.00 . A A . 7 LEU H 1 1
16 2865 1 1 7 LEU HA H 12.017 14.904 -4.134 1.00 . A A . 7 LEU HA 1 1
16 2866 1 1 7 LEU HB2 H 9.586 13.510 -3.051 1.00 . A A . 7 LEU HB2 1 1
16 2867 1 1 7 LEU HB3 H 9.779 15.218 -3.439 1.00 . A A . 7 LEU HB3 1 1
16 2868 1 1 7 LEU HD11 H 7.625 14.878 -4.386 1.00 . A A . 7 LEU HD11 1 1
16 2869 1 1 7 LEU HD12 H 7.487 13.147 -4.691 1.00 . A A . 7 LEU HD12 1 1
16 2870 1 1 7 LEU HD13 H 7.511 14.281 -6.042 1.00 . A A . 7 LEU HD13 1 1
16 2871 1 1 7 LEU HD21 H 9.381 14.919 -7.034 1.00 . A A . 7 LEU HD21 1 1
16 2872 1 1 7 LEU HD22 H 10.998 14.673 -6.374 1.00 . A A . 7 LEU HD22 1 1
16 2873 1 1 7 LEU HD23 H 9.962 15.945 -5.723 1.00 . A A . 7 LEU HD23 1 1
16 2874 1 1 7 LEU HG H 9.663 12.966 -5.444 1.00 . A A . 7 LEU HG 1 1
16 2875 1 1 7 LEU N N 11.981 12.850 -4.336 1.00 . A A . 7 LEU N 1 1
16 2876 1 1 7 LEU O O 12.219 15.084 -1.580 1.00 . A A . 7 LEU O 1 1
16 2877 1 1 8 GLY C C 12.680 11.255 0.174 1.00 . A A . 8 GLY C 1 1
16 2878 1 1 8 GLY CA C 12.485 12.702 -0.233 1.00 . A A . 8 GLY CA 1 1
16 2879 1 1 8 GLY H H 11.878 12.039 -2.150 1.00 . A A . 8 GLY H 1 1
16 2880 1 1 8 GLY HA2 H 13.413 13.235 -0.086 1.00 . A A . 8 GLY HA2 1 1
16 2881 1 1 8 GLY HA3 H 11.725 13.142 0.397 1.00 . A A . 8 GLY HA3 1 1
16 2882 1 1 8 GLY N N 12.081 12.839 -1.620 1.00 . A A . 8 GLY N 1 1
16 2883 1 1 8 GLY O O 13.802 10.822 0.441 1.00 . A A . 8 GLY O 1 1
16 2884 1 1 9 THR C C 10.364 8.368 0.201 1.00 . A A . 9 THR C 1 1
16 2885 1 1 9 THR CA C 11.640 9.097 0.605 1.00 . A A . 9 THR CA 1 1
16 2886 1 1 9 THR CB C 11.853 8.934 2.122 1.00 . A A . 9 THR CB 1 1
16 2887 1 1 9 THR CG2 C 13.094 8.102 2.407 1.00 . A A . 9 THR CG2 1 1
16 2888 1 1 9 THR H H 10.720 10.905 0.000 1.00 . A A . 9 THR H 1 1
16 2889 1 1 9 THR HA H 12.478 8.646 0.094 1.00 . A A . 9 THR HA 1 1
16 2890 1 1 9 THR HB H 10.994 8.426 2.538 1.00 . A A . 9 THR HB 1 1
16 2891 1 1 9 THR HG1 H 11.158 10.445 3.181 1.00 . A A . 9 THR HG1 1 1
16 2892 1 1 9 THR HG21 H 13.805 8.229 1.604 1.00 . A A . 9 THR HG21 1 1
16 2893 1 1 9 THR HG22 H 12.820 7.061 2.485 1.00 . A A . 9 THR HG22 1 1
16 2894 1 1 9 THR HG23 H 13.539 8.427 3.336 1.00 . A A . 9 THR HG23 1 1
16 2895 1 1 9 THR N N 11.585 10.503 0.224 1.00 . A A . 9 THR N 1 1
16 2896 1 1 9 THR O O 9.538 8.904 -0.539 1.00 . A A . 9 THR O 1 1
16 2897 1 1 9 THR OG1 O 11.980 10.219 2.740 1.00 . A A . 9 THR OG1 1 1
16 2898 1 1 10 TYR C C 7.755 7.161 0.529 1.00 . A A . 10 TYR C 1 1
16 2899 1 1 10 TYR CA C 9.031 6.340 0.379 1.00 . A A . 10 TYR CA 1 1
16 2900 1 1 10 TYR CB C 8.971 5.112 1.289 1.00 . A A . 10 TYR CB 1 1
16 2901 1 1 10 TYR CD1 C 8.763 2.636 0.836 1.00 . A A . 10 TYR CD1 1 1
16 2902 1 1 10 TYR CD2 C 10.524 3.832 -0.237 1.00 . A A . 10 TYR CD2 1 1
16 2903 1 1 10 TYR CE1 C 9.178 1.468 0.225 1.00 . A A . 10 TYR CE1 1 1
16 2904 1 1 10 TYR CE2 C 10.944 2.670 -0.854 1.00 . A A . 10 TYR CE2 1 1
16 2905 1 1 10 TYR CG C 9.428 3.837 0.617 1.00 . A A . 10 TYR CG 1 1
16 2906 1 1 10 TYR CZ C 10.268 1.491 -0.619 1.00 . A A . 10 TYR CZ 1 1
16 2907 1 1 10 TYR H H 10.900 6.770 1.275 1.00 . A A . 10 TYR H 1 1
16 2908 1 1 10 TYR HA H 9.116 6.011 -0.647 1.00 . A A . 10 TYR HA 1 1
16 2909 1 1 10 TYR HB2 H 9.602 5.277 2.148 1.00 . A A . 10 TYR HB2 1 1
16 2910 1 1 10 TYR HB3 H 7.953 4.967 1.619 1.00 . A A . 10 TYR HB3 1 1
16 2911 1 1 10 TYR HD1 H 7.910 2.622 1.498 1.00 . A A . 10 TYR HD1 1 1
16 2912 1 1 10 TYR HD2 H 11.052 4.758 -0.418 1.00 . A A . 10 TYR HD2 1 1
16 2913 1 1 10 TYR HE1 H 8.648 0.545 0.408 1.00 . A A . 10 TYR HE1 1 1
16 2914 1 1 10 TYR HE2 H 11.798 2.687 -1.514 1.00 . A A . 10 TYR HE2 1 1
16 2915 1 1 10 TYR HH H 9.950 -0.287 -1.280 1.00 . A A . 10 TYR HH 1 1
16 2916 1 1 10 TYR N N 10.207 7.143 0.691 1.00 . A A . 10 TYR N 1 1
16 2917 1 1 10 TYR O O 7.497 7.743 1.583 1.00 . A A . 10 TYR O 1 1
16 2918 1 1 10 TYR OH O 10.684 0.330 -1.231 1.00 . A A . 10 TYR OH 1 1
16 2919 1 1 11 VAL C C 4.565 7.122 -1.102 1.00 . A A . 11 VAL C 1 1
16 2920 1 1 11 VAL CA C 5.706 7.951 -0.522 1.00 . A A . 11 VAL CA 1 1
16 2921 1 1 11 VAL CB C 5.829 9.263 -1.318 1.00 . A A . 11 VAL CB 1 1
16 2922 1 1 11 VAL CG1 C 6.312 8.986 -2.734 1.00 . A A . 11 VAL CG1 1 1
16 2923 1 1 11 VAL CG2 C 4.499 10.002 -1.336 1.00 . A A . 11 VAL CG2 1 1
16 2924 1 1 11 VAL H H 7.217 6.718 -1.345 1.00 . A A . 11 VAL H 1 1
16 2925 1 1 11 VAL HA H 5.474 8.197 0.504 1.00 . A A . 11 VAL HA 1 1
16 2926 1 1 11 VAL HB H 6.559 9.891 -0.829 1.00 . A A . 11 VAL HB 1 1
16 2927 1 1 11 VAL HG11 H 5.566 8.411 -3.262 1.00 . A A . 11 VAL HG11 1 1
16 2928 1 1 11 VAL HG12 H 6.479 9.922 -3.248 1.00 . A A . 11 VAL HG12 1 1
16 2929 1 1 11 VAL HG13 H 7.235 8.427 -2.695 1.00 . A A . 11 VAL HG13 1 1
16 2930 1 1 11 VAL HG21 H 3.866 9.585 -2.105 1.00 . A A . 11 VAL HG21 1 1
16 2931 1 1 11 VAL HG22 H 4.015 9.896 -0.375 1.00 . A A . 11 VAL HG22 1 1
16 2932 1 1 11 VAL HG23 H 4.671 11.049 -1.538 1.00 . A A . 11 VAL HG23 1 1
16 2933 1 1 11 VAL N N 6.957 7.203 -0.534 1.00 . A A . 11 VAL N 1 1
16 2934 1 1 11 VAL O O 4.715 6.481 -2.142 1.00 . A A . 11 VAL O 1 1
16 2935 1 1 12 CYS C C 0.985 7.225 -0.721 1.00 . A A . 12 CYS C 1 1
16 2936 1 1 12 CYS CA C 2.255 6.391 -0.868 1.00 . A A . 12 CYS CA 1 1
16 2937 1 1 12 CYS CB C 2.120 5.093 -0.070 1.00 . A A . 12 CYS CB 1 1
16 2938 1 1 12 CYS H H 3.365 7.671 0.402 1.00 . A A . 12 CYS H 1 1
16 2939 1 1 12 CYS HA H 2.394 6.150 -1.911 1.00 . A A . 12 CYS HA 1 1
16 2940 1 1 12 CYS HB2 H 1.083 4.947 0.193 1.00 . A A . 12 CYS HB2 1 1
16 2941 1 1 12 CYS HB3 H 2.450 4.267 -0.682 1.00 . A A . 12 CYS HB3 1 1
16 2942 1 1 12 CYS N N 3.423 7.140 -0.422 1.00 . A A . 12 CYS N 1 1
16 2943 1 1 12 CYS O O -0.105 6.782 -1.083 1.00 . A A . 12 CYS O 1 1
16 2944 1 1 12 CYS SG S 3.090 5.064 1.472 1.00 . A A . 12 CYS SG 1 1
17 2945 1 1 1 ALA C C 2.859 1.670 -1.628 1.00 . A A . 1 ALA C 1 1
17 2946 1 1 1 ALA CA C 2.072 0.372 -1.485 1.00 . A A . 1 ALA CA 1 1
17 2947 1 1 1 ALA CB C 1.538 -0.076 -2.838 1.00 . A A . 1 ALA CB 1 1
17 2948 1 1 1 ALA H1 H 0.485 -0.271 -0.241 1.00 . A A . 1 ALA H1 1 1
17 2949 1 1 1 ALA HA H 2.732 -0.399 -1.113 1.00 . A A . 1 ALA HA 1 1
17 2950 1 1 1 ALA HB1 H 0.554 0.343 -2.992 1.00 . A A . 1 ALA HB1 1 1
17 2951 1 1 1 ALA HB2 H 2.202 0.266 -3.617 1.00 . A A . 1 ALA HB2 1 1
17 2952 1 1 1 ALA HB3 H 1.479 -1.154 -2.862 1.00 . A A . 1 ALA HB3 1 1
17 2953 1 1 1 ALA N N 0.977 0.524 -0.535 1.00 . A A . 1 ALA N 1 1
17 2954 1 1 1 ALA O O 2.438 2.589 -2.331 1.00 . A A . 1 ALA O 1 1
17 2955 1 1 2 CYS C C 5.976 2.747 -2.021 1.00 . A A . 2 CYS C 1 1
17 2956 1 1 2 CYS CA C 4.849 2.926 -1.008 1.00 . A A . 2 CYS CA 1 1
17 2957 1 1 2 CYS CB C 5.434 3.220 0.375 1.00 . A A . 2 CYS CB 1 1
17 2958 1 1 2 CYS H H 4.286 0.974 -0.413 1.00 . A A . 2 CYS H 1 1
17 2959 1 1 2 CYS HA H 4.235 3.759 -1.314 1.00 . A A . 2 CYS HA 1 1
17 2960 1 1 2 CYS HB2 H 6.028 2.375 0.693 1.00 . A A . 2 CYS HB2 1 1
17 2961 1 1 2 CYS HB3 H 6.066 4.094 0.311 1.00 . A A . 2 CYS HB3 1 1
17 2962 1 1 2 CYS N N 4.003 1.740 -0.957 1.00 . A A . 2 CYS N 1 1
17 2963 1 1 2 CYS O O 6.247 1.635 -2.475 1.00 . A A . 2 CYS O 1 1
17 2964 1 1 2 CYS SG S 4.183 3.533 1.661 1.00 . A A . 2 CYS SG 1 1
17 2965 1 1 3 PHE C C 8.724 4.938 -3.058 1.00 . A A . 3 PHE C 1 1
17 2966 1 1 3 PHE CA C 7.726 3.816 -3.332 1.00 . A A . 3 PHE CA 1 1
17 2967 1 1 3 PHE CB C 7.187 3.935 -4.759 1.00 . A A . 3 PHE CB 1 1
17 2968 1 1 3 PHE CD1 C 4.769 3.267 -4.815 1.00 . A A . 3 PHE CD1 1 1
17 2969 1 1 3 PHE CD2 C 5.305 5.589 -4.886 1.00 . A A . 3 PHE CD2 1 1
17 2970 1 1 3 PHE CE1 C 3.422 3.572 -4.872 1.00 . A A . 3 PHE CE1 1 1
17 2971 1 1 3 PHE CE2 C 3.959 5.900 -4.942 1.00 . A A . 3 PHE CE2 1 1
17 2972 1 1 3 PHE CG C 5.724 4.270 -4.821 1.00 . A A . 3 PHE CG 1 1
17 2973 1 1 3 PHE CZ C 3.017 4.891 -4.936 1.00 . A A . 3 PHE CZ 1 1
17 2974 1 1 3 PHE H H 6.367 4.707 -1.975 1.00 . A A . 3 PHE H 1 1
17 2975 1 1 3 PHE HA H 8.231 2.868 -3.225 1.00 . A A . 3 PHE HA 1 1
17 2976 1 1 3 PHE HB2 H 7.727 4.712 -5.277 1.00 . A A . 3 PHE HB2 1 1
17 2977 1 1 3 PHE HB3 H 7.336 2.996 -5.271 1.00 . A A . 3 PHE HB3 1 1
17 2978 1 1 3 PHE HD1 H 5.085 2.234 -4.765 1.00 . A A . 3 PHE HD1 1 1
17 2979 1 1 3 PHE HD2 H 6.040 6.380 -4.891 1.00 . A A . 3 PHE HD2 1 1
17 2980 1 1 3 PHE HE1 H 2.688 2.780 -4.867 1.00 . A A . 3 PHE HE1 1 1
17 2981 1 1 3 PHE HE2 H 3.645 6.932 -4.992 1.00 . A A . 3 PHE HE2 1 1
17 2982 1 1 3 PHE HZ H 1.965 5.131 -4.980 1.00 . A A . 3 PHE HZ 1 1
17 2983 1 1 3 PHE N N 6.629 3.850 -2.372 1.00 . A A . 3 PHE N 1 1
17 2984 1 1 3 PHE O O 8.337 6.080 -2.807 1.00 . A A . 3 PHE O 1 1
17 2985 1 1 4 LEU C C 11.129 6.604 -3.996 1.00 . A A . 4 LEU C 1 1
17 2986 1 1 4 LEU CA C 11.063 5.582 -2.866 1.00 . A A . 4 LEU CA 1 1
17 2987 1 1 4 LEU CB C 12.414 4.880 -2.718 1.00 . A A . 4 LEU CB 1 1
17 2988 1 1 4 LEU CD1 C 13.777 6.862 -2.016 1.00 . A A . 4 LEU CD1 1 1
17 2989 1 1 4 LEU CD2 C 14.903 4.867 -3.019 1.00 . A A . 4 LEU CD2 1 1
17 2990 1 1 4 LEU CG C 13.649 5.729 -3.022 1.00 . A A . 4 LEU CG 1 1
17 2991 1 1 4 LEU H H 10.255 3.678 -3.313 1.00 . A A . 4 LEU H 1 1
17 2992 1 1 4 LEU HA H 10.832 6.097 -1.945 1.00 . A A . 4 LEU HA 1 1
17 2993 1 1 4 LEU HB2 H 12.495 4.530 -1.701 1.00 . A A . 4 LEU HB2 1 1
17 2994 1 1 4 LEU HB3 H 12.420 4.033 -3.390 1.00 . A A . 4 LEU HB3 1 1
17 2995 1 1 4 LEU HD11 H 13.575 7.803 -2.506 1.00 . A A . 4 LEU HD11 1 1
17 2996 1 1 4 LEU HD12 H 14.779 6.875 -1.613 1.00 . A A . 4 LEU HD12 1 1
17 2997 1 1 4 LEU HD13 H 13.069 6.714 -1.214 1.00 . A A . 4 LEU HD13 1 1
17 2998 1 1 4 LEU HD21 H 14.774 4.043 -3.706 1.00 . A A . 4 LEU HD21 1 1
17 2999 1 1 4 LEU HD22 H 15.072 4.482 -2.023 1.00 . A A . 4 LEU HD22 1 1
17 3000 1 1 4 LEU HD23 H 15.750 5.462 -3.324 1.00 . A A . 4 LEU HD23 1 1
17 3001 1 1 4 LEU HG H 13.545 6.166 -4.005 1.00 . A A . 4 LEU HG 1 1
17 3002 1 1 4 LEU N N 10.008 4.604 -3.108 1.00 . A A . 4 LEU N 1 1
17 3003 1 1 4 LEU O O 11.471 6.270 -5.131 1.00 . A A . 4 LEU O 1 1
17 3004 1 1 5 THR C C 12.069 9.790 -4.510 1.00 . A A . 5 THR C 1 1
17 3005 1 1 5 THR CA C 10.825 8.924 -4.667 1.00 . A A . 5 THR CA 1 1
17 3006 1 1 5 THR CB C 9.574 9.817 -4.557 1.00 . A A . 5 THR CB 1 1
17 3007 1 1 5 THR CG2 C 8.498 9.364 -5.532 1.00 . A A . 5 THR CG2 1 1
17 3008 1 1 5 THR H H 10.538 8.057 -2.757 1.00 . A A . 5 THR H 1 1
17 3009 1 1 5 THR HA H 10.833 8.472 -5.648 1.00 . A A . 5 THR HA 1 1
17 3010 1 1 5 THR HB H 9.853 10.832 -4.798 1.00 . A A . 5 THR HB 1 1
17 3011 1 1 5 THR HG1 H 9.083 10.661 -2.844 1.00 . A A . 5 THR HG1 1 1
17 3012 1 1 5 THR HG21 H 7.821 8.686 -5.032 1.00 . A A . 5 THR HG21 1 1
17 3013 1 1 5 THR HG22 H 8.959 8.860 -6.368 1.00 . A A . 5 THR HG22 1 1
17 3014 1 1 5 THR HG23 H 7.950 10.223 -5.887 1.00 . A A . 5 THR HG23 1 1
17 3015 1 1 5 THR N N 10.802 7.853 -3.679 1.00 . A A . 5 THR N 1 1
17 3016 1 1 5 THR O O 12.732 9.758 -3.474 1.00 . A A . 5 THR O 1 1
17 3017 1 1 5 THR OG1 O 9.061 9.778 -3.220 1.00 . A A . 5 THR OG1 1 1
17 3018 1 1 6 ARG C C 13.224 12.756 -4.823 1.00 . A A . 6 ARG C 1 1
17 3019 1 1 6 ARG CA C 13.546 11.438 -5.522 1.00 . A A . 6 ARG CA 1 1
17 3020 1 1 6 ARG CB C 14.035 11.710 -6.946 1.00 . A A . 6 ARG CB 1 1
17 3021 1 1 6 ARG CD C 14.219 9.245 -7.399 1.00 . A A . 6 ARG CD 1 1
17 3022 1 1 6 ARG CG C 13.726 10.586 -7.921 1.00 . A A . 6 ARG CG 1 1
17 3023 1 1 6 ARG CZ C 12.642 7.518 -8.156 1.00 . A A . 6 ARG CZ 1 1
17 3024 1 1 6 ARG H H 11.813 10.545 -6.344 1.00 . A A . 6 ARG H 1 1
17 3025 1 1 6 ARG HA H 14.328 10.935 -4.973 1.00 . A A . 6 ARG HA 1 1
17 3026 1 1 6 ARG HB2 H 13.564 12.612 -7.310 1.00 . A A . 6 ARG HB2 1 1
17 3027 1 1 6 ARG HB3 H 15.104 11.856 -6.925 1.00 . A A . 6 ARG HB3 1 1
17 3028 1 1 6 ARG HD2 H 14.913 8.829 -8.114 1.00 . A A . 6 ARG HD2 1 1
17 3029 1 1 6 ARG HD3 H 14.724 9.404 -6.458 1.00 . A A . 6 ARG HD3 1 1
17 3030 1 1 6 ARG HE H 12.730 8.248 -6.302 1.00 . A A . 6 ARG HE 1 1
17 3031 1 1 6 ARG HG2 H 12.657 10.532 -8.067 1.00 . A A . 6 ARG HG2 1 1
17 3032 1 1 6 ARG HG3 H 14.210 10.796 -8.863 1.00 . A A . 6 ARG HG3 1 1
17 3033 1 1 6 ARG HH11 H 13.908 8.194 -9.577 1.00 . A A . 6 ARG HH11 1 1
17 3034 1 1 6 ARG HH12 H 12.791 6.976 -10.097 1.00 . A A . 6 ARG HH12 1 1
17 3035 1 1 6 ARG HH21 H 11.254 6.644 -6.974 1.00 . A A . 6 ARG HH21 1 1
17 3036 1 1 6 ARG HH22 H 11.282 6.096 -8.616 1.00 . A A . 6 ARG HH22 1 1
17 3037 1 1 6 ARG N N 12.380 10.563 -5.545 1.00 . A A . 6 ARG N 1 1
17 3038 1 1 6 ARG NE N 13.124 8.301 -7.197 1.00 . A A . 6 ARG NE 1 1
17 3039 1 1 6 ARG NH1 N 13.156 7.567 -9.377 1.00 . A A . 6 ARG NH1 1 1
17 3040 1 1 6 ARG NH2 N 11.644 6.684 -7.894 1.00 . A A . 6 ARG NH2 1 1
17 3041 1 1 6 ARG O O 14.059 13.659 -4.761 1.00 . A A . 6 ARG O 1 1
17 3042 1 1 7 LEU C C 11.992 14.031 -2.138 1.00 . A A . 7 LEU C 1 1
17 3043 1 1 7 LEU CA C 11.573 14.066 -3.604 1.00 . A A . 7 LEU CA 1 1
17 3044 1 1 7 LEU CB C 10.055 14.220 -3.709 1.00 . A A . 7 LEU CB 1 1
17 3045 1 1 7 LEU CD1 C 7.939 13.856 -5.002 1.00 . A A . 7 LEU CD1 1 1
17 3046 1 1 7 LEU CD2 C 9.832 15.119 -6.038 1.00 . A A . 7 LEU CD2 1 1
17 3047 1 1 7 LEU CG C 9.451 13.989 -5.094 1.00 . A A . 7 LEU CG 1 1
17 3048 1 1 7 LEU H H 11.386 12.106 -4.380 1.00 . A A . 7 LEU H 1 1
17 3049 1 1 7 LEU HA H 12.047 14.911 -4.081 1.00 . A A . 7 LEU HA 1 1
17 3050 1 1 7 LEU HB2 H 9.603 13.514 -3.029 1.00 . A A . 7 LEU HB2 1 1
17 3051 1 1 7 LEU HB3 H 9.804 15.225 -3.401 1.00 . A A . 7 LEU HB3 1 1
17 3052 1 1 7 LEU HD11 H 7.688 13.055 -4.323 1.00 . A A . 7 LEU HD11 1 1
17 3053 1 1 7 LEU HD12 H 7.536 13.638 -5.980 1.00 . A A . 7 LEU HD12 1 1
17 3054 1 1 7 LEU HD13 H 7.518 14.783 -4.638 1.00 . A A . 7 LEU HD13 1 1
17 3055 1 1 7 LEU HD21 H 8.962 15.725 -6.244 1.00 . A A . 7 LEU HD21 1 1
17 3056 1 1 7 LEU HD22 H 10.209 14.705 -6.963 1.00 . A A . 7 LEU HD22 1 1
17 3057 1 1 7 LEU HD23 H 10.596 15.729 -5.579 1.00 . A A . 7 LEU HD23 1 1
17 3058 1 1 7 LEU HG H 9.842 13.066 -5.501 1.00 . A A . 7 LEU HG 1 1
17 3059 1 1 7 LEU N N 12.007 12.859 -4.299 1.00 . A A . 7 LEU N 1 1
17 3060 1 1 7 LEU O O 12.232 15.070 -1.525 1.00 . A A . 7 LEU O 1 1
17 3061 1 1 8 GLY C C 12.662 11.228 0.206 1.00 . A A . 8 GLY C 1 1
17 3062 1 1 8 GLY CA C 12.473 12.678 -0.192 1.00 . A A . 8 GLY CA 1 1
17 3063 1 1 8 GLY H H 11.877 12.032 -2.118 1.00 . A A . 8 GLY H 1 1
17 3064 1 1 8 GLY HA2 H 13.400 13.208 -0.032 1.00 . A A . 8 GLY HA2 1 1
17 3065 1 1 8 GLY HA3 H 11.708 13.114 0.435 1.00 . A A . 8 GLY HA3 1 1
17 3066 1 1 8 GLY N N 12.080 12.827 -1.581 1.00 . A A . 8 GLY N 1 1
17 3067 1 1 8 GLY O O 13.780 10.791 0.479 1.00 . A A . 8 GLY O 1 1
17 3068 1 1 9 THR C C 10.338 8.346 0.192 1.00 . A A . 9 THR C 1 1
17 3069 1 1 9 THR CA C 11.614 9.069 0.610 1.00 . A A . 9 THR CA 1 1
17 3070 1 1 9 THR CB C 11.816 8.893 2.127 1.00 . A A . 9 THR CB 1 1
17 3071 1 1 9 THR CG2 C 13.054 8.056 2.414 1.00 . A A . 9 THR CG2 1 1
17 3072 1 1 9 THR H H 10.702 10.883 0.012 1.00 . A A . 9 THR H 1 1
17 3073 1 1 9 THR HA H 12.454 8.619 0.101 1.00 . A A . 9 THR HA 1 1
17 3074 1 1 9 THR HB H 10.954 8.385 2.533 1.00 . A A . 9 THR HB 1 1
17 3075 1 1 9 THR HG1 H 11.139 10.679 2.617 1.00 . A A . 9 THR HG1 1 1
17 3076 1 1 9 THR HG21 H 12.777 7.014 2.476 1.00 . A A . 9 THR HG21 1 1
17 3077 1 1 9 THR HG22 H 13.490 8.369 3.351 1.00 . A A . 9 THR HG22 1 1
17 3078 1 1 9 THR HG23 H 13.772 8.191 1.619 1.00 . A A . 9 THR HG23 1 1
17 3079 1 1 9 THR N N 11.565 10.478 0.240 1.00 . A A . 9 THR N 1 1
17 3080 1 1 9 THR O O 9.519 8.890 -0.549 1.00 . A A . 9 THR O 1 1
17 3081 1 1 9 THR OG1 O 11.944 10.173 2.756 1.00 . A A . 9 THR OG1 1 1
17 3082 1 1 10 TYR C C 7.725 7.143 0.494 1.00 . A A . 10 TYR C 1 1
17 3083 1 1 10 TYR CA C 9.000 6.319 0.346 1.00 . A A . 10 TYR CA 1 1
17 3084 1 1 10 TYR CB C 8.931 5.084 1.246 1.00 . A A . 10 TYR CB 1 1
17 3085 1 1 10 TYR CD1 C 8.718 2.613 0.771 1.00 . A A . 10 TYR CD1 1 1
17 3086 1 1 10 TYR CD2 C 10.489 3.812 -0.281 1.00 . A A . 10 TYR CD2 1 1
17 3087 1 1 10 TYR CE1 C 9.132 1.449 0.153 1.00 . A A . 10 TYR CE1 1 1
17 3088 1 1 10 TYR CE2 C 10.909 2.653 -0.905 1.00 . A A . 10 TYR CE2 1 1
17 3089 1 1 10 TYR CG C 9.388 3.813 0.566 1.00 . A A . 10 TYR CG 1 1
17 3090 1 1 10 TYR CZ C 10.228 1.475 -0.685 1.00 . A A . 10 TYR CZ 1 1
17 3091 1 1 10 TYR H H 10.864 6.738 1.257 1.00 . A A . 10 TYR H 1 1
17 3092 1 1 10 TYR HA H 9.091 5.999 -0.682 1.00 . A A . 10 TYR HA 1 1
17 3093 1 1 10 TYR HB2 H 9.559 5.241 2.109 1.00 . A A . 10 TYR HB2 1 1
17 3094 1 1 10 TYR HB3 H 7.911 4.940 1.569 1.00 . A A . 10 TYR HB3 1 1
17 3095 1 1 10 TYR HD1 H 7.860 2.597 1.428 1.00 . A A . 10 TYR HD1 1 1
17 3096 1 1 10 TYR HD2 H 11.021 4.737 -0.452 1.00 . A A . 10 TYR HD2 1 1
17 3097 1 1 10 TYR HE1 H 8.599 0.526 0.325 1.00 . A A . 10 TYR HE1 1 1
17 3098 1 1 10 TYR HE2 H 11.767 2.673 -1.561 1.00 . A A . 10 TYR HE2 1 1
17 3099 1 1 10 TYR HH H 9.878 -0.200 -1.561 1.00 . A A . 10 TYR HH 1 1
17 3100 1 1 10 TYR N N 10.176 7.118 0.671 1.00 . A A . 10 TYR N 1 1
17 3101 1 1 10 TYR O O 7.457 7.710 1.554 1.00 . A A . 10 TYR O 1 1
17 3102 1 1 10 TYR OH O 10.644 0.318 -1.303 1.00 . A A . 10 TYR OH 1 1
17 3103 1 1 11 VAL C C 4.550 7.134 -1.160 1.00 . A A . 11 VAL C 1 1
17 3104 1 1 11 VAL CA C 5.690 7.954 -0.566 1.00 . A A . 11 VAL CA 1 1
17 3105 1 1 11 VAL CB C 5.822 9.273 -1.351 1.00 . A A . 11 VAL CB 1 1
17 3106 1 1 11 VAL CG1 C 6.314 9.006 -2.766 1.00 . A A . 11 VAL CG1 1 1
17 3107 1 1 11 VAL CG2 C 4.495 10.016 -1.371 1.00 . A A . 11 VAL CG2 1 1
17 3108 1 1 11 VAL H H 7.205 6.729 -1.392 1.00 . A A . 11 VAL H 1 1
17 3109 1 1 11 VAL HA H 5.452 8.193 0.460 1.00 . A A . 11 VAL HA 1 1
17 3110 1 1 11 VAL HB H 6.551 9.894 -0.852 1.00 . A A . 11 VAL HB 1 1
17 3111 1 1 11 VAL HG11 H 5.568 8.441 -3.305 1.00 . A A . 11 VAL HG11 1 1
17 3112 1 1 11 VAL HG12 H 6.491 9.945 -3.269 1.00 . A A . 11 VAL HG12 1 1
17 3113 1 1 11 VAL HG13 H 7.233 8.439 -2.726 1.00 . A A . 11 VAL HG13 1 1
17 3114 1 1 11 VAL HG21 H 4.672 11.062 -1.569 1.00 . A A . 11 VAL HG21 1 1
17 3115 1 1 11 VAL HG22 H 3.863 9.605 -2.146 1.00 . A A . 11 VAL HG22 1 1
17 3116 1 1 11 VAL HG23 H 4.006 9.907 -0.415 1.00 . A A . 11 VAL HG23 1 1
17 3117 1 1 11 VAL N N 6.939 7.203 -0.576 1.00 . A A . 11 VAL N 1 1
17 3118 1 1 11 VAL O O 4.705 6.501 -2.205 1.00 . A A . 11 VAL O 1 1
17 3119 1 1 12 CYS C C 0.969 7.244 -0.803 1.00 . A A . 12 CYS C 1 1
17 3120 1 1 12 CYS CA C 2.237 6.408 -0.948 1.00 . A A . 12 CYS CA 1 1
17 3121 1 1 12 CYS CB C 2.093 5.103 -0.161 1.00 . A A . 12 CYS CB 1 1
17 3122 1 1 12 CYS H H 3.342 7.674 0.339 1.00 . A A . 12 CYS H 1 1
17 3123 1 1 12 CYS HA H 2.382 6.175 -1.992 1.00 . A A . 12 CYS HA 1 1
17 3124 1 1 12 CYS HB2 H 1.053 4.959 0.094 1.00 . A A . 12 CYS HB2 1 1
17 3125 1 1 12 CYS HB3 H 2.423 4.281 -0.779 1.00 . A A . 12 CYS HB3 1 1
17 3126 1 1 12 CYS N N 3.404 7.150 -0.488 1.00 . A A . 12 CYS N 1 1
17 3127 1 1 12 CYS O O 0.355 7.636 -1.796 1.00 . A A . 12 CYS O 1 1
17 3128 1 1 12 CYS SG S 3.054 5.058 1.385 1.00 . A A . 12 CYS SG 1 1
18 3129 1 1 1 ALA C C 2.868 1.662 -1.613 1.00 . A A . 1 ALA C 1 1
18 3130 1 1 1 ALA CA C 2.082 0.363 -1.467 1.00 . A A . 1 ALA CA 1 1
18 3131 1 1 1 ALA CB C 1.708 -0.186 -2.836 1.00 . A A . 1 ALA CB 1 1
18 3132 1 1 1 ALA H1 H 0.657 -0.103 0.026 1.00 . A A . 1 ALA H1 1 1
18 3133 1 1 1 ALA HA H 2.704 -0.368 -0.971 1.00 . A A . 1 ALA HA 1 1
18 3134 1 1 1 ALA HB1 H 2.107 -1.184 -2.944 1.00 . A A . 1 ALA HB1 1 1
18 3135 1 1 1 ALA HB2 H 0.633 -0.216 -2.929 1.00 . A A . 1 ALA HB2 1 1
18 3136 1 1 1 ALA HB3 H 2.119 0.451 -3.604 1.00 . A A . 1 ALA HB3 1 1
18 3137 1 1 1 ALA N N 0.887 0.561 -0.657 1.00 . A A . 1 ALA N 1 1
18 3138 1 1 1 ALA O O 2.445 2.579 -2.318 1.00 . A A . 1 ALA O 1 1
18 3139 1 1 2 CYS C C 5.983 2.743 -2.010 1.00 . A A . 2 CYS C 1 1
18 3140 1 1 2 CYS CA C 4.857 2.921 -0.995 1.00 . A A . 2 CYS CA 1 1
18 3141 1 1 2 CYS CB C 5.443 3.219 0.386 1.00 . A A . 2 CYS CB 1 1
18 3142 1 1 2 CYS H H 4.296 0.970 -0.396 1.00 . A A . 2 CYS H 1 1
18 3143 1 1 2 CYS HA H 4.241 3.753 -1.302 1.00 . A A . 2 CYS HA 1 1
18 3144 1 1 2 CYS HB2 H 6.037 2.375 0.706 1.00 . A A . 2 CYS HB2 1 1
18 3145 1 1 2 CYS HB3 H 6.074 4.092 0.321 1.00 . A A . 2 CYS HB3 1 1
18 3146 1 1 2 CYS N N 4.012 1.734 -0.942 1.00 . A A . 2 CYS N 1 1
18 3147 1 1 2 CYS O O 6.255 1.630 -2.462 1.00 . A A . 2 CYS O 1 1
18 3148 1 1 2 CYS SG S 4.192 3.533 1.673 1.00 . A A . 2 CYS SG 1 1
18 3149 1 1 3 PHE C C 8.727 4.935 -3.052 1.00 . A A . 3 PHE C 1 1
18 3150 1 1 3 PHE CA C 7.731 3.811 -3.323 1.00 . A A . 3 PHE CA 1 1
18 3151 1 1 3 PHE CB C 7.191 3.927 -4.750 1.00 . A A . 3 PHE CB 1 1
18 3152 1 1 3 PHE CD1 C 5.306 5.579 -4.875 1.00 . A A . 3 PHE CD1 1 1
18 3153 1 1 3 PHE CD2 C 4.774 3.256 -4.804 1.00 . A A . 3 PHE CD2 1 1
18 3154 1 1 3 PHE CE1 C 3.961 5.890 -4.932 1.00 . A A . 3 PHE CE1 1 1
18 3155 1 1 3 PHE CE2 C 3.427 3.561 -4.861 1.00 . A A . 3 PHE CE2 1 1
18 3156 1 1 3 PHE CG C 5.728 4.261 -4.811 1.00 . A A . 3 PHE CG 1 1
18 3157 1 1 3 PHE CZ C 3.020 4.879 -4.924 1.00 . A A . 3 PHE CZ 1 1
18 3158 1 1 3 PHE H H 6.372 4.703 -1.966 1.00 . A A . 3 PHE H 1 1
18 3159 1 1 3 PHE HA H 8.237 2.864 -3.214 1.00 . A A . 3 PHE HA 1 1
18 3160 1 1 3 PHE HB2 H 7.730 4.705 -5.269 1.00 . A A . 3 PHE HB2 1 1
18 3161 1 1 3 PHE HB3 H 7.340 2.988 -5.261 1.00 . A A . 3 PHE HB3 1 1
18 3162 1 1 3 PHE HD1 H 6.042 6.371 -4.881 1.00 . A A . 3 PHE HD1 1 1
18 3163 1 1 3 PHE HD2 H 5.090 2.225 -4.754 1.00 . A A . 3 PHE HD2 1 1
18 3164 1 1 3 PHE HE1 H 3.646 6.922 -4.981 1.00 . A A . 3 PHE HE1 1 1
18 3165 1 1 3 PHE HE2 H 2.693 2.768 -4.854 1.00 . A A . 3 PHE HE2 1 1
18 3166 1 1 3 PHE HZ H 1.968 5.119 -4.969 1.00 . A A . 3 PHE HZ 1 1
18 3167 1 1 3 PHE N N 6.635 3.845 -2.362 1.00 . A A . 3 PHE N 1 1
18 3168 1 1 3 PHE O O 8.340 6.077 -2.801 1.00 . A A . 3 PHE O 1 1
18 3169 1 1 4 LEU C C 11.129 6.604 -3.994 1.00 . A A . 4 LEU C 1 1
18 3170 1 1 4 LEU CA C 11.066 5.583 -2.862 1.00 . A A . 4 LEU CA 1 1
18 3171 1 1 4 LEU CB C 12.418 4.883 -2.717 1.00 . A A . 4 LEU CB 1 1
18 3172 1 1 4 LEU CD1 C 13.780 6.869 -2.020 1.00 . A A . 4 LEU CD1 1 1
18 3173 1 1 4 LEU CD2 C 14.907 4.873 -3.022 1.00 . A A . 4 LEU CD2 1 1
18 3174 1 1 4 LEU CG C 13.651 5.733 -3.024 1.00 . A A . 4 LEU CG 1 1
18 3175 1 1 4 LEU H H 10.260 3.677 -3.307 1.00 . A A . 4 LEU H 1 1
18 3176 1 1 4 LEU HA H 10.836 6.098 -1.941 1.00 . A A . 4 LEU HA 1 1
18 3177 1 1 4 LEU HB2 H 12.502 4.534 -1.699 1.00 . A A . 4 LEU HB2 1 1
18 3178 1 1 4 LEU HB3 H 12.424 4.035 -3.388 1.00 . A A . 4 LEU HB3 1 1
18 3179 1 1 4 LEU HD11 H 13.962 6.462 -1.037 1.00 . A A . 4 LEU HD11 1 1
18 3180 1 1 4 LEU HD12 H 12.865 7.443 -2.008 1.00 . A A . 4 LEU HD12 1 1
18 3181 1 1 4 LEU HD13 H 14.602 7.509 -2.304 1.00 . A A . 4 LEU HD13 1 1
18 3182 1 1 4 LEU HD21 H 14.951 4.299 -3.936 1.00 . A A . 4 LEU HD21 1 1
18 3183 1 1 4 LEU HD22 H 14.881 4.201 -2.176 1.00 . A A . 4 LEU HD22 1 1
18 3184 1 1 4 LEU HD23 H 15.778 5.507 -2.952 1.00 . A A . 4 LEU HD23 1 1
18 3185 1 1 4 LEU HG H 13.545 6.169 -4.008 1.00 . A A . 4 LEU HG 1 1
18 3186 1 1 4 LEU N N 10.013 4.603 -3.103 1.00 . A A . 4 LEU N 1 1
18 3187 1 1 4 LEU O O 11.468 6.270 -5.129 1.00 . A A . 4 LEU O 1 1
18 3188 1 1 5 THR C C 12.064 9.791 -4.511 1.00 . A A . 5 THR C 1 1
18 3189 1 1 5 THR CA C 10.821 8.923 -4.665 1.00 . A A . 5 THR CA 1 1
18 3190 1 1 5 THR CB C 9.569 9.815 -4.552 1.00 . A A . 5 THR CB 1 1
18 3191 1 1 5 THR CG2 C 8.491 9.359 -5.524 1.00 . A A . 5 THR CG2 1 1
18 3192 1 1 5 THR H H 10.539 8.057 -2.754 1.00 . A A . 5 THR H 1 1
18 3193 1 1 5 THR HA H 10.828 8.471 -5.646 1.00 . A A . 5 THR HA 1 1
18 3194 1 1 5 THR HB H 9.847 10.831 -4.796 1.00 . A A . 5 THR HB 1 1
18 3195 1 1 5 THR HG1 H 9.782 9.900 -2.593 1.00 . A A . 5 THR HG1 1 1
18 3196 1 1 5 THR HG21 H 7.944 10.218 -5.884 1.00 . A A . 5 THR HG21 1 1
18 3197 1 1 5 THR HG22 H 7.814 8.686 -5.020 1.00 . A A . 5 THR HG22 1 1
18 3198 1 1 5 THR HG23 H 8.951 8.851 -6.358 1.00 . A A . 5 THR HG23 1 1
18 3199 1 1 5 THR N N 10.801 7.853 -3.676 1.00 . A A . 5 THR N 1 1
18 3200 1 1 5 THR O O 12.729 9.763 -3.475 1.00 . A A . 5 THR O 1 1
18 3201 1 1 5 THR OG1 O 9.060 9.778 -3.215 1.00 . A A . 5 THR OG1 1 1
18 3202 1 1 6 ARG C C 13.216 12.756 -4.828 1.00 . A A . 6 ARG C 1 1
18 3203 1 1 6 ARG CA C 13.539 11.439 -5.527 1.00 . A A . 6 ARG CA 1 1
18 3204 1 1 6 ARG CB C 14.024 11.711 -6.952 1.00 . A A . 6 ARG CB 1 1
18 3205 1 1 6 ARG CD C 14.211 9.246 -7.404 1.00 . A A . 6 ARG CD 1 1
18 3206 1 1 6 ARG CG C 13.716 10.585 -7.926 1.00 . A A . 6 ARG CG 1 1
18 3207 1 1 6 ARG CZ C 12.635 7.516 -8.157 1.00 . A A . 6 ARG CZ 1 1
18 3208 1 1 6 ARG H H 11.806 10.542 -6.346 1.00 . A A . 6 ARG H 1 1
18 3209 1 1 6 ARG HA H 14.322 10.937 -4.979 1.00 . A A . 6 ARG HA 1 1
18 3210 1 1 6 ARG HB2 H 13.551 12.611 -7.316 1.00 . A A . 6 ARG HB2 1 1
18 3211 1 1 6 ARG HB3 H 15.094 11.858 -6.933 1.00 . A A . 6 ARG HB3 1 1
18 3212 1 1 6 ARG HD2 H 14.904 8.830 -8.119 1.00 . A A . 6 ARG HD2 1 1
18 3213 1 1 6 ARG HD3 H 14.717 9.406 -6.464 1.00 . A A . 6 ARG HD3 1 1
18 3214 1 1 6 ARG HE H 12.724 8.248 -6.304 1.00 . A A . 6 ARG HE 1 1
18 3215 1 1 6 ARG HG2 H 12.647 10.530 -8.070 1.00 . A A . 6 ARG HG2 1 1
18 3216 1 1 6 ARG HG3 H 14.198 10.795 -8.869 1.00 . A A . 6 ARG HG3 1 1
18 3217 1 1 6 ARG HH11 H 13.899 8.191 -9.580 1.00 . A A . 6 ARG HH11 1 1
18 3218 1 1 6 ARG HH12 H 12.783 6.971 -10.097 1.00 . A A . 6 ARG HH12 1 1
18 3219 1 1 6 ARG HH21 H 11.249 6.641 -6.973 1.00 . A A . 6 ARG HH21 1 1
18 3220 1 1 6 ARG HH22 H 11.275 6.091 -8.614 1.00 . A A . 6 ARG HH22 1 1
18 3221 1 1 6 ARG N N 12.374 10.563 -5.548 1.00 . A A . 6 ARG N 1 1
18 3222 1 1 6 ARG NE N 13.117 8.300 -7.199 1.00 . A A . 6 ARG NE 1 1
18 3223 1 1 6 ARG NH1 N 13.147 7.564 -9.379 1.00 . A A . 6 ARG NH1 1 1
18 3224 1 1 6 ARG NH2 N 11.638 6.680 -7.893 1.00 . A A . 6 ARG NH2 1 1
18 3225 1 1 6 ARG O O 14.052 13.660 -4.766 1.00 . A A . 6 ARG O 1 1
18 3226 1 1 7 LEU C C 11.988 14.033 -2.144 1.00 . A A . 7 LEU C 1 1
18 3227 1 1 7 LEU CA C 11.566 14.067 -3.609 1.00 . A A . 7 LEU CA 1 1
18 3228 1 1 7 LEU CB C 10.048 14.219 -3.711 1.00 . A A . 7 LEU CB 1 1
18 3229 1 1 7 LEU CD1 C 7.925 14.088 -5.038 1.00 . A A . 7 LEU CD1 1 1
18 3230 1 1 7 LEU CD2 C 10.006 14.983 -6.099 1.00 . A A . 7 LEU CD2 1 1
18 3231 1 1 7 LEU CG C 9.441 13.988 -5.096 1.00 . A A . 7 LEU CG 1 1
18 3232 1 1 7 LEU H H 11.379 12.106 -4.385 1.00 . A A . 7 LEU H 1 1
18 3233 1 1 7 LEU HA H 12.038 14.912 -4.088 1.00 . A A . 7 LEU HA 1 1
18 3234 1 1 7 LEU HB2 H 9.598 13.513 -3.031 1.00 . A A . 7 LEU HB2 1 1
18 3235 1 1 7 LEU HB3 H 9.796 15.224 -3.403 1.00 . A A . 7 LEU HB3 1 1
18 3236 1 1 7 LEU HD11 H 7.636 14.678 -4.182 1.00 . A A . 7 LEU HD11 1 1
18 3237 1 1 7 LEU HD12 H 7.502 13.098 -4.953 1.00 . A A . 7 LEU HD12 1 1
18 3238 1 1 7 LEU HD13 H 7.561 14.558 -5.940 1.00 . A A . 7 LEU HD13 1 1
18 3239 1 1 7 LEU HD21 H 9.865 15.987 -5.726 1.00 . A A . 7 LEU HD21 1 1
18 3240 1 1 7 LEU HD22 H 9.491 14.874 -7.043 1.00 . A A . 7 LEU HD22 1 1
18 3241 1 1 7 LEU HD23 H 11.059 14.795 -6.239 1.00 . A A . 7 LEU HD23 1 1
18 3242 1 1 7 LEU HG H 9.697 12.992 -5.432 1.00 . A A . 7 LEU HG 1 1
18 3243 1 1 7 LEU N N 12.000 12.859 -4.304 1.00 . A A . 7 LEU N 1 1
18 3244 1 1 7 LEU O O 12.225 15.074 -1.532 1.00 . A A . 7 LEU O 1 1
18 3245 1 1 8 GLY C C 12.667 11.232 0.200 1.00 . A A . 8 GLY C 1 1
18 3246 1 1 8 GLY CA C 12.477 12.683 -0.199 1.00 . A A . 8 GLY CA 1 1
18 3247 1 1 8 GLY H H 11.881 12.034 -2.124 1.00 . A A . 8 GLY H 1 1
18 3248 1 1 8 GLY HA2 H 13.405 13.213 -0.042 1.00 . A A . 8 GLY HA2 1 1
18 3249 1 1 8 GLY HA3 H 11.714 13.119 0.429 1.00 . A A . 8 GLY HA3 1 1
18 3250 1 1 8 GLY N N 12.082 12.829 -1.587 1.00 . A A . 8 GLY N 1 1
18 3251 1 1 8 GLY O O 13.787 10.796 0.471 1.00 . A A . 8 GLY O 1 1
18 3252 1 1 9 THR C C 10.345 8.350 0.193 1.00 . A A . 9 THR C 1 1
18 3253 1 1 9 THR CA C 11.621 9.074 0.609 1.00 . A A . 9 THR CA 1 1
18 3254 1 1 9 THR CB C 11.824 8.899 2.126 1.00 . A A . 9 THR CB 1 1
18 3255 1 1 9 THR CG2 C 13.062 8.063 2.413 1.00 . A A . 9 THR CG2 1 1
18 3256 1 1 9 THR H H 10.708 10.887 0.011 1.00 . A A . 9 THR H 1 1
18 3257 1 1 9 THR HA H 12.461 8.624 0.100 1.00 . A A . 9 THR HA 1 1
18 3258 1 1 9 THR HB H 10.962 8.391 2.533 1.00 . A A . 9 THR HB 1 1
18 3259 1 1 9 THR HG1 H 11.339 10.798 2.347 1.00 . A A . 9 THR HG1 1 1
18 3260 1 1 9 THR HG21 H 13.499 8.377 3.350 1.00 . A A . 9 THR HG21 1 1
18 3261 1 1 9 THR HG22 H 13.780 8.198 1.618 1.00 . A A . 9 THR HG22 1 1
18 3262 1 1 9 THR HG23 H 12.786 7.022 2.477 1.00 . A A . 9 THR HG23 1 1
18 3263 1 1 9 THR N N 11.571 10.482 0.238 1.00 . A A . 9 THR N 1 1
18 3264 1 1 9 THR O O 9.526 8.892 -0.549 1.00 . A A . 9 THR O 1 1
18 3265 1 1 9 THR OG1 O 11.951 10.180 2.754 1.00 . A A . 9 THR OG1 1 1
18 3266 1 1 10 TYR C C 7.732 7.146 0.498 1.00 . A A . 10 TYR C 1 1
18 3267 1 1 10 TYR CA C 9.008 6.323 0.350 1.00 . A A . 10 TYR CA 1 1
18 3268 1 1 10 TYR CB C 8.940 5.089 1.251 1.00 . A A . 10 TYR CB 1 1
18 3269 1 1 10 TYR CD1 C 8.729 2.617 0.778 1.00 . A A . 10 TYR CD1 1 1
18 3270 1 1 10 TYR CD2 C 10.499 3.816 -0.276 1.00 . A A . 10 TYR CD2 1 1
18 3271 1 1 10 TYR CE1 C 9.143 1.453 0.161 1.00 . A A . 10 TYR CE1 1 1
18 3272 1 1 10 TYR CE2 C 10.919 2.657 -0.899 1.00 . A A . 10 TYR CE2 1 1
18 3273 1 1 10 TYR CG C 9.398 3.817 0.572 1.00 . A A . 10 TYR CG 1 1
18 3274 1 1 10 TYR CZ C 10.239 1.478 -0.677 1.00 . A A . 10 TYR CZ 1 1
18 3275 1 1 10 TYR H H 10.872 6.744 1.260 1.00 . A A . 10 TYR H 1 1
18 3276 1 1 10 TYR HA H 9.098 6.002 -0.678 1.00 . A A . 10 TYR HA 1 1
18 3277 1 1 10 TYR HB2 H 9.568 5.247 2.114 1.00 . A A . 10 TYR HB2 1 1
18 3278 1 1 10 TYR HB3 H 7.920 4.943 1.575 1.00 . A A . 10 TYR HB3 1 1
18 3279 1 1 10 TYR HD1 H 7.871 2.600 1.435 1.00 . A A . 10 TYR HD1 1 1
18 3280 1 1 10 TYR HD2 H 11.030 4.742 -0.447 1.00 . A A . 10 TYR HD2 1 1
18 3281 1 1 10 TYR HE1 H 8.611 0.529 0.334 1.00 . A A . 10 TYR HE1 1 1
18 3282 1 1 10 TYR HE2 H 11.777 2.677 -1.554 1.00 . A A . 10 TYR HE2 1 1
18 3283 1 1 10 TYR HH H 11.459 0.495 -1.792 1.00 . A A . 10 TYR HH 1 1
18 3284 1 1 10 TYR N N 10.184 7.122 0.674 1.00 . A A . 10 TYR N 1 1
18 3285 1 1 10 TYR O O 7.468 7.718 1.556 1.00 . A A . 10 TYR O 1 1
18 3286 1 1 10 TYR OH O 10.656 0.321 -1.295 1.00 . A A . 10 TYR OH 1 1
18 3287 1 1 11 VAL C C 4.553 7.128 -1.152 1.00 . A A . 11 VAL C 1 1
18 3288 1 1 11 VAL CA C 5.692 7.950 -0.559 1.00 . A A . 11 VAL CA 1 1
18 3289 1 1 11 VAL CB C 5.823 9.268 -1.344 1.00 . A A . 11 VAL CB 1 1
18 3290 1 1 11 VAL CG1 C 6.314 9.001 -2.759 1.00 . A A . 11 VAL CG1 1 1
18 3291 1 1 11 VAL CG2 C 4.495 10.010 -1.364 1.00 . A A . 11 VAL CG2 1 1
18 3292 1 1 11 VAL H H 7.206 6.722 -1.384 1.00 . A A . 11 VAL H 1 1
18 3293 1 1 11 VAL HA H 5.455 8.188 0.467 1.00 . A A . 11 VAL HA 1 1
18 3294 1 1 11 VAL HB H 6.551 9.890 -0.846 1.00 . A A . 11 VAL HB 1 1
18 3295 1 1 11 VAL HG11 H 5.558 8.455 -3.305 1.00 . A A . 11 VAL HG11 1 1
18 3296 1 1 11 VAL HG12 H 6.511 9.940 -3.256 1.00 . A A . 11 VAL HG12 1 1
18 3297 1 1 11 VAL HG13 H 7.221 8.416 -2.720 1.00 . A A . 11 VAL HG13 1 1
18 3298 1 1 11 VAL HG21 H 4.007 9.898 -0.407 1.00 . A A . 11 VAL HG21 1 1
18 3299 1 1 11 VAL HG22 H 4.670 11.058 -1.558 1.00 . A A . 11 VAL HG22 1 1
18 3300 1 1 11 VAL HG23 H 3.865 9.601 -2.139 1.00 . A A . 11 VAL HG23 1 1
18 3301 1 1 11 VAL N N 6.942 7.199 -0.569 1.00 . A A . 11 VAL N 1 1
18 3302 1 1 11 VAL O O 4.708 6.494 -2.196 1.00 . A A . 11 VAL O 1 1
18 3303 1 1 12 CYS C C 0.972 7.236 -0.794 1.00 . A A . 12 CYS C 1 1
18 3304 1 1 12 CYS CA C 2.240 6.400 -0.938 1.00 . A A . 12 CYS CA 1 1
18 3305 1 1 12 CYS CB C 2.098 5.096 -0.151 1.00 . A A . 12 CYS CB 1 1
18 3306 1 1 12 CYS H H 3.345 7.668 0.347 1.00 . A A . 12 CYS H 1 1
18 3307 1 1 12 CYS HA H 2.385 6.166 -1.982 1.00 . A A . 12 CYS HA 1 1
18 3308 1 1 12 CYS HB2 H 1.058 4.951 0.104 1.00 . A A . 12 CYS HB2 1 1
18 3309 1 1 12 CYS HB3 H 2.430 4.274 -0.768 1.00 . A A . 12 CYS HB3 1 1
18 3310 1 1 12 CYS N N 3.407 7.143 -0.479 1.00 . A A . 12 CYS N 1 1
18 3311 1 1 12 CYS O O 0.498 7.834 -1.760 1.00 . A A . 12 CYS O 1 1
18 3312 1 1 12 CYS SG S 3.058 5.053 1.397 1.00 . A A . 12 CYS SG 1 1
19 3313 1 1 1 ALA C C 3.884 0.966 -0.702 1.00 . A A . 1 ALA C 1 1
19 3314 1 1 1 ALA CA C 2.773 -0.077 -0.752 1.00 . A A . 1 ALA CA 1 1
19 3315 1 1 1 ALA CB C 3.255 -1.394 -0.162 1.00 . A A . 1 ALA CB 1 1
19 3316 1 1 1 ALA H1 H 2.851 0.042 -2.863 1.00 . A A . 1 ALA H1 1 1
19 3317 1 1 1 ALA HA H 1.939 0.272 -0.159 1.00 . A A . 1 ALA HA 1 1
19 3318 1 1 1 ALA HB1 H 2.404 -2.027 0.046 1.00 . A A . 1 ALA HB1 1 1
19 3319 1 1 1 ALA HB2 H 3.907 -1.887 -0.867 1.00 . A A . 1 ALA HB2 1 1
19 3320 1 1 1 ALA HB3 H 3.793 -1.201 0.754 1.00 . A A . 1 ALA HB3 1 1
19 3321 1 1 1 ALA N N 2.302 -0.277 -2.117 1.00 . A A . 1 ALA N 1 1
19 3322 1 1 1 ALA O O 5.030 0.652 -0.377 1.00 . A A . 1 ALA O 1 1
19 3323 1 1 2 CYS C C 5.625 3.038 -2.027 1.00 . A A . 2 CYS C 1 1
19 3324 1 1 2 CYS CA C 4.508 3.297 -1.020 1.00 . A A . 2 CYS CA 1 1
19 3325 1 1 2 CYS CB C 5.100 3.473 0.380 1.00 . A A . 2 CYS CB 1 1
19 3326 1 1 2 CYS H H 2.610 2.396 -1.278 1.00 . A A . 2 CYS H 1 1
19 3327 1 1 2 CYS HA H 3.991 4.202 -1.299 1.00 . A A . 2 CYS HA 1 1
19 3328 1 1 2 CYS HB2 H 5.628 2.572 0.655 1.00 . A A . 2 CYS HB2 1 1
19 3329 1 1 2 CYS HB3 H 5.792 4.301 0.368 1.00 . A A . 2 CYS HB3 1 1
19 3330 1 1 2 CYS N N 3.540 2.208 -1.027 1.00 . A A . 2 CYS N 1 1
19 3331 1 1 2 CYS O O 5.817 1.910 -2.482 1.00 . A A . 2 CYS O 1 1
19 3332 1 1 2 CYS SG S 3.861 3.803 1.674 1.00 . A A . 2 CYS SG 1 1
19 3333 1 1 3 PHE C C 8.518 5.044 -3.061 1.00 . A A . 3 PHE C 1 1
19 3334 1 1 3 PHE CA C 7.457 3.979 -3.325 1.00 . A A . 3 PHE CA 1 1
19 3335 1 1 3 PHE CB C 6.933 4.108 -4.756 1.00 . A A . 3 PHE CB 1 1
19 3336 1 1 3 PHE CD1 C 5.118 5.836 -4.887 1.00 . A A . 3 PHE CD1 1 1
19 3337 1 1 3 PHE CD2 C 4.491 3.536 -4.843 1.00 . A A . 3 PHE CD2 1 1
19 3338 1 1 3 PHE CE1 C 3.787 6.202 -4.957 1.00 . A A . 3 PHE CE1 1 1
19 3339 1 1 3 PHE CE2 C 3.158 3.895 -4.913 1.00 . A A . 3 PHE CE2 1 1
19 3340 1 1 3 PHE CG C 5.485 4.501 -4.831 1.00 . A A . 3 PHE CG 1 1
19 3341 1 1 3 PHE CZ C 2.805 5.230 -4.968 1.00 . A A . 3 PHE CZ 1 1
19 3342 1 1 3 PHE H H 6.158 4.965 -1.974 1.00 . A A . 3 PHE H 1 1
19 3343 1 1 3 PHE HA H 7.904 3.005 -3.201 1.00 . A A . 3 PHE HA 1 1
19 3344 1 1 3 PHE HB2 H 7.507 4.860 -5.276 1.00 . A A . 3 PHE HB2 1 1
19 3345 1 1 3 PHE HB3 H 7.047 3.161 -5.260 1.00 . A A . 3 PHE HB3 1 1
19 3346 1 1 3 PHE HD1 H 5.885 6.598 -4.878 1.00 . A A . 3 PHE HD1 1 1
19 3347 1 1 3 PHE HD2 H 4.765 2.492 -4.799 1.00 . A A . 3 PHE HD2 1 1
19 3348 1 1 3 PHE HE1 H 3.515 7.246 -5.000 1.00 . A A . 3 PHE HE1 1 1
19 3349 1 1 3 PHE HE2 H 2.393 3.134 -4.921 1.00 . A A . 3 PHE HE2 1 1
19 3350 1 1 3 PHE HZ H 1.765 5.513 -5.023 1.00 . A A . 3 PHE HZ 1 1
19 3351 1 1 3 PHE N N 6.360 4.091 -2.371 1.00 . A A . 3 PHE N 1 1
19 3352 1 1 3 PHE O O 8.199 6.214 -2.845 1.00 . A A . 3 PHE O 1 1
19 3353 1 1 4 LEU C C 11.002 6.569 -3.971 1.00 . A A . 4 LEU C 1 1
19 3354 1 1 4 LEU CA C 10.889 5.548 -2.843 1.00 . A A . 4 LEU CA 1 1
19 3355 1 1 4 LEU CB C 12.200 4.771 -2.710 1.00 . A A . 4 LEU CB 1 1
19 3356 1 1 4 LEU CD1 C 13.679 6.680 -2.037 1.00 . A A . 4 LEU CD1 1 1
19 3357 1 1 4 LEU CD2 C 14.680 4.618 -3.039 1.00 . A A . 4 LEU CD2 1 1
19 3358 1 1 4 LEU CG C 13.476 5.549 -3.034 1.00 . A A . 4 LEU CG 1 1
19 3359 1 1 4 LEU H H 9.972 3.687 -3.258 1.00 . A A . 4 LEU H 1 1
19 3360 1 1 4 LEU HA H 10.694 6.071 -1.919 1.00 . A A . 4 LEU HA 1 1
19 3361 1 1 4 LEU HB2 H 12.275 4.421 -1.693 1.00 . A A . 4 LEU HB2 1 1
19 3362 1 1 4 LEU HB3 H 12.150 3.923 -3.378 1.00 . A A . 4 LEU HB3 1 1
19 3363 1 1 4 LEU HD11 H 12.812 6.758 -1.400 1.00 . A A . 4 LEU HD11 1 1
19 3364 1 1 4 LEU HD12 H 13.819 7.608 -2.571 1.00 . A A . 4 LEU HD12 1 1
19 3365 1 1 4 LEU HD13 H 14.553 6.476 -1.435 1.00 . A A . 4 LEU HD13 1 1
19 3366 1 1 4 LEU HD21 H 14.818 4.214 -4.031 1.00 . A A . 4 LEU HD21 1 1
19 3367 1 1 4 LEU HD22 H 14.514 3.811 -2.341 1.00 . A A . 4 LEU HD22 1 1
19 3368 1 1 4 LEU HD23 H 15.563 5.169 -2.750 1.00 . A A . 4 LEU HD23 1 1
19 3369 1 1 4 LEU HG H 13.385 5.985 -4.019 1.00 . A A . 4 LEU HG 1 1
19 3370 1 1 4 LEU N N 9.780 4.631 -3.080 1.00 . A A . 4 LEU N 1 1
19 3371 1 1 4 LEU O O 11.370 6.230 -5.096 1.00 . A A . 4 LEU O 1 1
19 3372 1 1 5 THR C C 12.037 9.698 -4.500 1.00 . A A . 5 THR C 1 1
19 3373 1 1 5 THR CA C 10.750 8.894 -4.648 1.00 . A A . 5 THR CA 1 1
19 3374 1 1 5 THR CB C 9.546 9.846 -4.525 1.00 . A A . 5 THR CB 1 1
19 3375 1 1 5 THR CG2 C 8.442 9.450 -5.495 1.00 . A A . 5 THR CG2 1 1
19 3376 1 1 5 THR H H 10.398 8.030 -2.748 1.00 . A A . 5 THR H 1 1
19 3377 1 1 5 THR HA H 10.729 8.444 -5.630 1.00 . A A . 5 THR HA 1 1
19 3378 1 1 5 THR HB H 9.872 10.848 -4.764 1.00 . A A . 5 THR HB 1 1
19 3379 1 1 5 THR HG1 H 8.584 10.651 -3.003 1.00 . A A . 5 THR HG1 1 1
19 3380 1 1 5 THR HG21 H 7.723 8.825 -4.987 1.00 . A A . 5 THR HG21 1 1
19 3381 1 1 5 THR HG22 H 8.870 8.906 -6.324 1.00 . A A . 5 THR HG22 1 1
19 3382 1 1 5 THR HG23 H 7.951 10.339 -5.862 1.00 . A A . 5 THR HG23 1 1
19 3383 1 1 5 THR N N 10.684 7.823 -3.662 1.00 . A A . 5 THR N 1 1
19 3384 1 1 5 THR O O 12.704 9.635 -3.468 1.00 . A A . 5 THR O 1 1
19 3385 1 1 5 THR OG1 O 9.040 9.826 -3.186 1.00 . A A . 5 THR OG1 1 1
19 3386 1 1 6 ARG C C 13.332 12.605 -4.824 1.00 . A A . 6 ARG C 1 1
19 3387 1 1 6 ARG CA C 13.585 11.272 -5.523 1.00 . A A . 6 ARG CA 1 1
19 3388 1 1 6 ARG CB C 14.077 11.519 -6.950 1.00 . A A . 6 ARG CB 1 1
19 3389 1 1 6 ARG CD C 14.139 9.047 -7.402 1.00 . A A . 6 ARG CD 1 1
19 3390 1 1 6 ARG CG C 13.708 10.410 -7.922 1.00 . A A . 6 ARG CG 1 1
19 3391 1 1 6 ARG CZ C 12.474 7.398 -8.143 1.00 . A A . 6 ARG CZ 1 1
19 3392 1 1 6 ARG H H 11.805 10.464 -6.333 1.00 . A A . 6 ARG H 1 1
19 3393 1 1 6 ARG HA H 14.345 10.732 -4.978 1.00 . A A . 6 ARG HA 1 1
19 3394 1 1 6 ARG HB2 H 13.649 12.442 -7.312 1.00 . A A . 6 ARG HB2 1 1
19 3395 1 1 6 ARG HB3 H 15.153 11.612 -6.936 1.00 . A A . 6 ARG HB3 1 1
19 3396 1 1 6 ARG HD2 H 14.806 8.597 -8.121 1.00 . A A . 6 ARG HD2 1 1
19 3397 1 1 6 ARG HD3 H 14.658 9.183 -6.465 1.00 . A A . 6 ARG HD3 1 1
19 3398 1 1 6 ARG HE H 12.611 8.126 -6.291 1.00 . A A . 6 ARG HE 1 1
19 3399 1 1 6 ARG HG2 H 12.637 10.408 -8.061 1.00 . A A . 6 ARG HG2 1 1
19 3400 1 1 6 ARG HG3 H 14.196 10.596 -8.867 1.00 . A A . 6 ARG HG3 1 1
19 3401 1 1 6 ARG HH11 H 13.761 8.009 -9.575 1.00 . A A . 6 ARG HH11 1 1
19 3402 1 1 6 ARG HH12 H 12.583 6.846 -10.084 1.00 . A A . 6 ARG HH12 1 1
19 3403 1 1 6 ARG HH21 H 11.053 6.595 -6.950 1.00 . A A . 6 ARG HH21 1 1
19 3404 1 1 6 ARG HH22 H 11.042 6.043 -8.591 1.00 . A A . 6 ARG HH22 1 1
19 3405 1 1 6 ARG N N 12.378 10.455 -5.538 1.00 . A A . 6 ARG N 1 1
19 3406 1 1 6 ARG NE N 13.001 8.158 -7.189 1.00 . A A . 6 ARG NE 1 1
19 3407 1 1 6 ARG NH1 N 12.980 7.420 -9.368 1.00 . A A . 6 ARG NH1 1 1
19 3408 1 1 6 ARG NH2 N 11.438 6.614 -7.872 1.00 . A A . 6 ARG NH2 1 1
19 3409 1 1 6 ARG O O 14.210 13.466 -4.767 1.00 . A A . 6 ARG O 1 1
19 3410 1 1 7 LEU C C 12.170 13.937 -2.131 1.00 . A A . 7 LEU C 1 1
19 3411 1 1 7 LEU CA C 11.754 13.995 -3.597 1.00 . A A . 7 LEU CA 1 1
19 3412 1 1 7 LEU CB C 10.246 14.229 -3.702 1.00 . A A . 7 LEU CB 1 1
19 3413 1 1 7 LEU CD1 C 8.144 14.351 -5.063 1.00 . A A . 7 LEU CD1 1 1
19 3414 1 1 7 LEU CD2 C 10.344 14.911 -6.113 1.00 . A A . 7 LEU CD2 1 1
19 3415 1 1 7 LEU CG C 9.632 14.038 -5.090 1.00 . A A . 7 LEU CG 1 1
19 3416 1 1 7 LEU H H 11.466 12.046 -4.370 1.00 . A A . 7 LEU H 1 1
19 3417 1 1 7 LEU HA H 12.271 14.815 -4.074 1.00 . A A . 7 LEU HA 1 1
19 3418 1 1 7 LEU HB2 H 9.758 13.543 -3.028 1.00 . A A . 7 LEU HB2 1 1
19 3419 1 1 7 LEU HB3 H 10.047 15.244 -3.388 1.00 . A A . 7 LEU HB3 1 1
19 3420 1 1 7 LEU HD11 H 7.986 15.305 -4.585 1.00 . A A . 7 LEU HD11 1 1
19 3421 1 1 7 LEU HD12 H 7.625 13.581 -4.511 1.00 . A A . 7 LEU HD12 1 1
19 3422 1 1 7 LEU HD13 H 7.766 14.386 -6.074 1.00 . A A . 7 LEU HD13 1 1
19 3423 1 1 7 LEU HD21 H 11.322 14.501 -6.317 1.00 . A A . 7 LEU HD21 1 1
19 3424 1 1 7 LEU HD22 H 10.449 15.913 -5.720 1.00 . A A . 7 LEU HD22 1 1
19 3425 1 1 7 LEU HD23 H 9.767 14.940 -7.025 1.00 . A A . 7 LEU HD23 1 1
19 3426 1 1 7 LEU HG H 9.750 13.006 -5.390 1.00 . A A . 7 LEU HG 1 1
19 3427 1 1 7 LEU N N 12.125 12.768 -4.293 1.00 . A A . 7 LEU N 1 1
19 3428 1 1 7 LEU O O 12.440 14.965 -1.511 1.00 . A A . 7 LEU O 1 1
19 3429 1 1 8 GLY C C 12.728 11.098 0.199 1.00 . A A . 8 GLY C 1 1
19 3430 1 1 8 GLY CA C 12.609 12.557 -0.195 1.00 . A A . 8 GLY CA 1 1
19 3431 1 1 8 GLY H H 11.997 11.943 -2.127 1.00 . A A . 8 GLY H 1 1
19 3432 1 1 8 GLY HA2 H 13.561 13.041 -0.036 1.00 . A A . 8 GLY HA2 1 1
19 3433 1 1 8 GLY HA3 H 11.868 13.028 0.433 1.00 . A A . 8 GLY HA3 1 1
19 3434 1 1 8 GLY N N 12.223 12.727 -1.584 1.00 . A A . 8 GLY N 1 1
19 3435 1 1 8 GLY O O 13.824 10.609 0.475 1.00 . A A . 8 GLY O 1 1
19 3436 1 1 9 THR C C 10.269 8.331 0.178 1.00 . A A . 9 THR C 1 1
19 3437 1 1 9 THR CA C 11.578 8.990 0.595 1.00 . A A . 9 THR CA 1 1
19 3438 1 1 9 THR CB C 11.775 8.801 2.111 1.00 . A A . 9 THR CB 1 1
19 3439 1 1 9 THR CG2 C 12.972 7.905 2.394 1.00 . A A . 9 THR CG2 1 1
19 3440 1 1 9 THR H H 10.756 10.847 -0.002 1.00 . A A . 9 THR H 1 1
19 3441 1 1 9 THR HA H 12.395 8.502 0.083 1.00 . A A . 9 THR HA 1 1
19 3442 1 1 9 THR HB H 10.890 8.333 2.518 1.00 . A A . 9 THR HB 1 1
19 3443 1 1 9 THR HG1 H 11.113 10.426 3.011 1.00 . A A . 9 THR HG1 1 1
19 3444 1 1 9 THR HG21 H 13.412 8.180 3.341 1.00 . A A . 9 THR HG21 1 1
19 3445 1 1 9 THR HG22 H 13.704 8.023 1.608 1.00 . A A . 9 THR HG22 1 1
19 3446 1 1 9 THR HG23 H 12.649 6.876 2.433 1.00 . A A . 9 THR HG23 1 1
19 3447 1 1 9 THR N N 11.597 10.400 0.229 1.00 . A A . 9 THR N 1 1
19 3448 1 1 9 THR O O 9.474 8.917 -0.557 1.00 . A A . 9 THR O 1 1
19 3449 1 1 9 THR OG1 O 11.965 10.072 2.743 1.00 . A A . 9 THR OG1 1 1
19 3450 1 1 10 TYR C C 7.601 7.253 0.482 1.00 . A A . 10 TYR C 1 1
19 3451 1 1 10 TYR CA C 8.836 6.370 0.326 1.00 . A A . 10 TYR CA 1 1
19 3452 1 1 10 TYR CB C 8.710 5.136 1.222 1.00 . A A . 10 TYR CB 1 1
19 3453 1 1 10 TYR CD1 C 8.368 2.687 0.707 1.00 . A A . 10 TYR CD1 1 1
19 3454 1 1 10 TYR CD2 C 10.237 3.793 -0.276 1.00 . A A . 10 TYR CD2 1 1
19 3455 1 1 10 TYR CE1 C 8.732 1.509 0.085 1.00 . A A . 10 TYR CE1 1 1
19 3456 1 1 10 TYR CE2 C 10.608 2.619 -0.902 1.00 . A A . 10 TYR CE2 1 1
19 3457 1 1 10 TYR CG C 9.112 3.849 0.538 1.00 . A A . 10 TYR CG 1 1
19 3458 1 1 10 TYR CZ C 9.852 1.480 -0.719 1.00 . A A . 10 TYR CZ 1 1
19 3459 1 1 10 TYR H H 10.720 6.694 1.233 1.00 . A A . 10 TYR H 1 1
19 3460 1 1 10 TYR HA H 8.908 6.050 -0.703 1.00 . A A . 10 TYR HA 1 1
19 3461 1 1 10 TYR HB2 H 9.341 5.262 2.088 1.00 . A A . 10 TYR HB2 1 1
19 3462 1 1 10 TYR HB3 H 7.683 5.035 1.542 1.00 . A A . 10 TYR HB3 1 1
19 3463 1 1 10 TYR HD1 H 7.491 2.713 1.338 1.00 . A A . 10 TYR HD1 1 1
19 3464 1 1 10 TYR HD2 H 10.827 4.687 -0.417 1.00 . A A . 10 TYR HD2 1 1
19 3465 1 1 10 TYR HE1 H 8.141 0.616 0.229 1.00 . A A . 10 TYR HE1 1 1
19 3466 1 1 10 TYR HE2 H 11.485 2.596 -1.532 1.00 . A A . 10 TYR HE2 1 1
19 3467 1 1 10 TYR HH H 11.082 0.418 -1.747 1.00 . A A . 10 TYR HH 1 1
19 3468 1 1 10 TYR N N 10.050 7.110 0.652 1.00 . A A . 10 TYR N 1 1
19 3469 1 1 10 TYR O O 7.387 7.861 1.531 1.00 . A A . 10 TYR O 1 1
19 3470 1 1 10 TYR OH O 10.219 0.308 -1.340 1.00 . A A . 10 TYR OH 1 1
19 3471 1 1 11 VAL C C 4.404 7.364 -1.159 1.00 . A A . 11 VAL C 1 1
19 3472 1 1 11 VAL CA C 5.577 8.124 -0.552 1.00 . A A . 11 VAL CA 1 1
19 3473 1 1 11 VAL CB C 5.770 9.446 -1.318 1.00 . A A . 11 VAL CB 1 1
19 3474 1 1 11 VAL CG1 C 6.258 9.177 -2.734 1.00 . A A . 11 VAL CG1 1 1
19 3475 1 1 11 VAL CG2 C 4.475 10.245 -1.335 1.00 . A A . 11 VAL CG2 1 1
19 3476 1 1 11 VAL H H 7.017 6.810 -1.378 1.00 . A A . 11 VAL H 1 1
19 3477 1 1 11 VAL HA H 5.348 8.359 0.477 1.00 . A A . 11 VAL HA 1 1
19 3478 1 1 11 VAL HB H 6.521 10.029 -0.807 1.00 . A A . 11 VAL HB 1 1
19 3479 1 1 11 VAL HG11 H 7.102 8.503 -2.701 1.00 . A A . 11 VAL HG11 1 1
19 3480 1 1 11 VAL HG12 H 5.462 8.730 -3.311 1.00 . A A . 11 VAL HG12 1 1
19 3481 1 1 11 VAL HG13 H 6.559 10.107 -3.193 1.00 . A A . 11 VAL HG13 1 1
19 3482 1 1 11 VAL HG21 H 4.698 11.286 -1.515 1.00 . A A . 11 VAL HG21 1 1
19 3483 1 1 11 VAL HG22 H 3.833 9.874 -2.121 1.00 . A A . 11 VAL HG22 1 1
19 3484 1 1 11 VAL HG23 H 3.976 10.142 -0.384 1.00 . A A . 11 VAL HG23 1 1
19 3485 1 1 11 VAL N N 6.792 7.318 -0.570 1.00 . A A . 11 VAL N 1 1
19 3486 1 1 11 VAL O O 4.536 6.726 -2.204 1.00 . A A . 11 VAL O 1 1
19 3487 1 1 12 CYS C C 0.828 7.652 -0.830 1.00 . A A . 12 CYS C 1 1
19 3488 1 1 12 CYS CA C 2.055 6.755 -0.970 1.00 . A A . 12 CYS CA 1 1
19 3489 1 1 12 CYS CB C 1.841 5.454 -0.193 1.00 . A A . 12 CYS CB 1 1
19 3490 1 1 12 CYS H H 3.210 7.960 0.331 1.00 . A A . 12 CYS H 1 1
19 3491 1 1 12 CYS HA H 2.196 6.520 -2.015 1.00 . A A . 12 CYS HA 1 1
19 3492 1 1 12 CYS HB2 H 0.791 5.353 0.043 1.00 . A A . 12 CYS HB2 1 1
19 3493 1 1 12 CYS HB3 H 2.148 4.621 -0.808 1.00 . A A . 12 CYS HB3 1 1
19 3494 1 1 12 CYS N N 3.254 7.436 -0.497 1.00 . A A . 12 CYS N 1 1
19 3495 1 1 12 CYS O O 0.573 8.507 -1.678 1.00 . A A . 12 CYS O 1 1
19 3496 1 1 12 CYS SG S 2.770 5.362 1.371 1.00 . A A . 12 CYS SG 1 1
20 3497 1 1 1 ALA C C 3.653 1.171 -0.898 1.00 . A A . 1 ALA C 1 1
20 3498 1 1 1 ALA CA C 2.458 0.237 -1.053 1.00 . A A . 1 ALA CA 1 1
20 3499 1 1 1 ALA CB C 1.307 0.698 -0.171 1.00 . A A . 1 ALA CB 1 1
20 3500 1 1 1 ALA H1 H 2.353 -1.873 -1.179 1.00 . A A . 1 ALA H1 1 1
20 3501 1 1 1 ALA HA H 2.125 0.263 -2.080 1.00 . A A . 1 ALA HA 1 1
20 3502 1 1 1 ALA HB1 H 1.571 0.555 0.867 1.00 . A A . 1 ALA HB1 1 1
20 3503 1 1 1 ALA HB2 H 1.112 1.744 -0.352 1.00 . A A . 1 ALA HB2 1 1
20 3504 1 1 1 ALA HB3 H 0.424 0.121 -0.401 1.00 . A A . 1 ALA HB3 1 1
20 3505 1 1 1 ALA N N 2.822 -1.138 -0.732 1.00 . A A . 1 ALA N 1 1
20 3506 1 1 1 ALA O O 4.748 0.740 -0.532 1.00 . A A . 1 ALA O 1 1
20 3507 1 1 2 CYS C C 5.620 3.156 -2.062 1.00 . A A . 2 CYS C 1 1
20 3508 1 1 2 CYS CA C 4.497 3.448 -1.071 1.00 . A A . 2 CYS CA 1 1
20 3509 1 1 2 CYS CB C 5.055 3.479 0.354 1.00 . A A . 2 CYS CB 1 1
20 3510 1 1 2 CYS H H 2.543 2.735 -1.465 1.00 . A A . 2 CYS H 1 1
20 3511 1 1 2 CYS HA H 4.071 4.412 -1.302 1.00 . A A . 2 CYS HA 1 1
20 3512 1 1 2 CYS HB2 H 5.536 2.534 0.564 1.00 . A A . 2 CYS HB2 1 1
20 3513 1 1 2 CYS HB3 H 5.782 4.273 0.430 1.00 . A A . 2 CYS HB3 1 1
20 3514 1 1 2 CYS N N 3.438 2.452 -1.178 1.00 . A A . 2 CYS N 1 1
20 3515 1 1 2 CYS O O 5.813 2.014 -2.480 1.00 . A A . 2 CYS O 1 1
20 3516 1 1 2 CYS SG S 3.794 3.755 1.640 1.00 . A A . 2 CYS SG 1 1
20 3517 1 1 3 PHE C C 8.539 5.102 -3.117 1.00 . A A . 3 PHE C 1 1
20 3518 1 1 3 PHE CA C 7.462 4.053 -3.376 1.00 . A A . 3 PHE CA 1 1
20 3519 1 1 3 PHE CB C 6.952 4.173 -4.814 1.00 . A A . 3 PHE CB 1 1
20 3520 1 1 3 PHE CD1 C 4.519 3.565 -4.906 1.00 . A A . 3 PHE CD1 1 1
20 3521 1 1 3 PHE CD2 C 5.114 5.872 -4.991 1.00 . A A . 3 PHE CD2 1 1
20 3522 1 1 3 PHE CE1 C 3.182 3.903 -4.990 1.00 . A A . 3 PHE CE1 1 1
20 3523 1 1 3 PHE CE2 C 3.778 6.216 -5.074 1.00 . A A . 3 PHE CE2 1 1
20 3524 1 1 3 PHE CG C 5.499 4.544 -4.905 1.00 . A A . 3 PHE CG 1 1
20 3525 1 1 3 PHE CZ C 2.811 5.230 -5.075 1.00 . A A . 3 PHE CZ 1 1
20 3526 1 1 3 PHE H H 6.156 5.082 -2.066 1.00 . A A . 3 PHE H 1 1
20 3527 1 1 3 PHE HA H 7.891 3.072 -3.236 1.00 . A A . 3 PHE HA 1 1
20 3528 1 1 3 PHE HB2 H 7.521 4.933 -5.327 1.00 . A A . 3 PHE HB2 1 1
20 3529 1 1 3 PHE HB3 H 7.087 3.227 -5.316 1.00 . A A . 3 PHE HB3 1 1
20 3530 1 1 3 PHE HD1 H 4.809 2.525 -4.839 1.00 . A A . 3 PHE HD1 1 1
20 3531 1 1 3 PHE HD2 H 5.869 6.645 -4.992 1.00 . A A . 3 PHE HD2 1 1
20 3532 1 1 3 PHE HE1 H 2.428 3.129 -4.990 1.00 . A A . 3 PHE HE1 1 1
20 3533 1 1 3 PHE HE2 H 3.491 7.255 -5.141 1.00 . A A . 3 PHE HE2 1 1
20 3534 1 1 3 PHE HZ H 1.766 5.496 -5.140 1.00 . A A . 3 PHE HZ 1 1
20 3535 1 1 3 PHE N N 6.359 4.196 -2.434 1.00 . A A . 3 PHE N 1 1
20 3536 1 1 3 PHE O O 8.240 6.285 -2.942 1.00 . A A . 3 PHE O 1 1
20 3537 1 1 4 LEU C C 11.045 6.581 -3.983 1.00 . A A . 4 LEU C 1 1
20 3538 1 1 4 LEU CA C 10.915 5.563 -2.855 1.00 . A A . 4 LEU CA 1 1
20 3539 1 1 4 LEU CB C 12.213 4.766 -2.719 1.00 . A A . 4 LEU CB 1 1
20 3540 1 1 4 LEU CD1 C 13.720 6.654 -2.051 1.00 . A A . 4 LEU CD1 1 1
20 3541 1 1 4 LEU CD2 C 14.692 4.573 -3.042 1.00 . A A . 4 LEU CD2 1 1
20 3542 1 1 4 LEU CG C 13.502 5.522 -3.043 1.00 . A A . 4 LEU CG 1 1
20 3543 1 1 4 LEU H H 9.967 3.710 -3.240 1.00 . A A . 4 LEU H 1 1
20 3544 1 1 4 LEU HA H 10.727 6.089 -1.931 1.00 . A A . 4 LEU HA 1 1
20 3545 1 1 4 LEU HB2 H 12.282 4.417 -1.700 1.00 . A A . 4 LEU HB2 1 1
20 3546 1 1 4 LEU HB3 H 12.150 3.917 -3.385 1.00 . A A . 4 LEU HB3 1 1
20 3547 1 1 4 LEU HD11 H 12.997 7.434 -2.231 1.00 . A A . 4 LEU HD11 1 1
20 3548 1 1 4 LEU HD12 H 14.717 7.051 -2.172 1.00 . A A . 4 LEU HD12 1 1
20 3549 1 1 4 LEU HD13 H 13.603 6.278 -1.045 1.00 . A A . 4 LEU HD13 1 1
20 3550 1 1 4 LEU HD21 H 14.807 4.140 -4.025 1.00 . A A . 4 LEU HD21 1 1
20 3551 1 1 4 LEU HD22 H 14.525 3.787 -2.320 1.00 . A A . 4 LEU HD22 1 1
20 3552 1 1 4 LEU HD23 H 15.587 5.118 -2.782 1.00 . A A . 4 LEU HD23 1 1
20 3553 1 1 4 LEU HG H 13.419 5.955 -4.030 1.00 . A A . 4 LEU HG 1 1
20 3554 1 1 4 LEU N N 9.792 4.662 -3.093 1.00 . A A . 4 LEU N 1 1
20 3555 1 1 4 LEU O O 11.416 6.236 -5.106 1.00 . A A . 4 LEU O 1 1
20 3556 1 1 5 THR C C 12.104 9.718 -4.489 1.00 . A A . 5 THR C 1 1
20 3557 1 1 5 THR CA C 10.825 8.907 -4.665 1.00 . A A . 5 THR CA 1 1
20 3558 1 1 5 THR CB C 9.614 9.854 -4.573 1.00 . A A . 5 THR CB 1 1
20 3559 1 1 5 THR CG2 C 8.519 9.427 -5.539 1.00 . A A . 5 THR CG2 1 1
20 3560 1 1 5 THR H H 10.452 8.050 -2.765 1.00 . A A . 5 THR H 1 1
20 3561 1 1 5 THR HA H 10.829 8.455 -5.646 1.00 . A A . 5 THR HA 1 1
20 3562 1 1 5 THR HB H 9.935 10.852 -4.834 1.00 . A A . 5 THR HB 1 1
20 3563 1 1 5 THR HG1 H 8.767 8.990 -3.015 1.00 . A A . 5 THR HG1 1 1
20 3564 1 1 5 THR HG21 H 8.017 10.303 -5.924 1.00 . A A . 5 THR HG21 1 1
20 3565 1 1 5 THR HG22 H 7.806 8.802 -5.022 1.00 . A A . 5 THR HG22 1 1
20 3566 1 1 5 THR HG23 H 8.957 8.875 -6.357 1.00 . A A . 5 THR HG23 1 1
20 3567 1 1 5 THR N N 10.741 7.838 -3.677 1.00 . A A . 5 THR N 1 1
20 3568 1 1 5 THR O O 12.755 9.651 -3.446 1.00 . A A . 5 THR O 1 1
20 3569 1 1 5 THR OG1 O 9.100 9.863 -3.236 1.00 . A A . 5 THR OG1 1 1
20 3570 1 1 6 ARG C C 13.390 12.629 -4.761 1.00 . A A . 6 ARG C 1 1
20 3571 1 1 6 ARG CA C 13.661 11.308 -5.475 1.00 . A A . 6 ARG CA 1 1
20 3572 1 1 6 ARG CB C 14.169 11.577 -6.892 1.00 . A A . 6 ARG CB 1 1
20 3573 1 1 6 ARG CD C 14.254 9.111 -7.373 1.00 . A A . 6 ARG CD 1 1
20 3574 1 1 6 ARG CG C 13.822 10.477 -7.883 1.00 . A A . 6 ARG CG 1 1
20 3575 1 1 6 ARG CZ C 12.610 7.460 -8.158 1.00 . A A . 6 ARG CZ 1 1
20 3576 1 1 6 ARG H H 11.899 10.495 -6.320 1.00 . A A . 6 ARG H 1 1
20 3577 1 1 6 ARG HA H 14.417 10.765 -4.928 1.00 . A A . 6 ARG HA 1 1
20 3578 1 1 6 ARG HB2 H 13.738 12.501 -7.248 1.00 . A A . 6 ARG HB2 1 1
20 3579 1 1 6 ARG HB3 H 15.244 11.678 -6.863 1.00 . A A . 6 ARG HB3 1 1
20 3580 1 1 6 ARG HD2 H 14.934 8.674 -8.088 1.00 . A A . 6 ARG HD2 1 1
20 3581 1 1 6 ARG HD3 H 14.758 9.238 -6.427 1.00 . A A . 6 ARG HD3 1 1
20 3582 1 1 6 ARG HE H 12.714 8.168 -6.296 1.00 . A A . 6 ARG HE 1 1
20 3583 1 1 6 ARG HG2 H 12.753 10.470 -8.038 1.00 . A A . 6 ARG HG2 1 1
20 3584 1 1 6 ARG HG3 H 14.322 10.678 -8.818 1.00 . A A . 6 ARG HG3 1 1
20 3585 1 1 6 ARG HH11 H 13.915 8.095 -9.563 1.00 . A A . 6 ARG HH11 1 1
20 3586 1 1 6 ARG HH12 H 12.752 6.931 -10.104 1.00 . A A . 6 ARG HH12 1 1
20 3587 1 1 6 ARG HH21 H 11.177 6.635 -6.996 1.00 . A A . 6 ARG HH21 1 1
20 3588 1 1 6 ARG HH22 H 11.194 6.102 -8.643 1.00 . A A . 6 ARG HH22 1 1
20 3589 1 1 6 ARG N N 12.459 10.484 -5.516 1.00 . A A . 6 ARG N 1 1
20 3590 1 1 6 ARG NE N 13.118 8.212 -7.188 1.00 . A A . 6 ARG NE 1 1
20 3591 1 1 6 ARG NH1 N 13.135 7.499 -9.375 1.00 . A A . 6 ARG NH1 1 1
20 3592 1 1 6 ARG NH2 N 11.575 6.667 -7.912 1.00 . A A . 6 ARG NH2 1 1
20 3593 1 1 6 ARG O O 14.266 13.490 -4.673 1.00 . A A . 6 ARG O 1 1
20 3594 1 1 7 LEU C C 12.180 13.923 -2.075 1.00 . A A . 7 LEU C 1 1
20 3595 1 1 7 LEU CA C 11.786 13.999 -3.547 1.00 . A A . 7 LEU CA 1 1
20 3596 1 1 7 LEU CB C 10.278 14.227 -3.671 1.00 . A A . 7 LEU CB 1 1
20 3597 1 1 7 LEU CD1 C 8.165 14.065 -5.009 1.00 . A A . 7 LEU CD1 1 1
20 3598 1 1 7 LEU CD2 C 10.200 15.117 -6.013 1.00 . A A . 7 LEU CD2 1 1
20 3599 1 1 7 LEU CG C 9.684 14.042 -5.068 1.00 . A A . 7 LEU CG 1 1
20 3600 1 1 7 LEU H H 11.517 12.061 -4.354 1.00 . A A . 7 LEU H 1 1
20 3601 1 1 7 LEU HA H 12.305 14.827 -4.004 1.00 . A A . 7 LEU HA 1 1
20 3602 1 1 7 LEU HB2 H 9.783 13.534 -3.007 1.00 . A A . 7 LEU HB2 1 1
20 3603 1 1 7 LEU HB3 H 10.070 15.238 -3.353 1.00 . A A . 7 LEU HB3 1 1
20 3604 1 1 7 LEU HD11 H 7.790 14.809 -5.696 1.00 . A A . 7 LEU HD11 1 1
20 3605 1 1 7 LEU HD12 H 7.847 14.309 -4.006 1.00 . A A . 7 LEU HD12 1 1
20 3606 1 1 7 LEU HD13 H 7.779 13.094 -5.283 1.00 . A A . 7 LEU HD13 1 1
20 3607 1 1 7 LEU HD21 H 9.678 15.047 -6.956 1.00 . A A . 7 LEU HD21 1 1
20 3608 1 1 7 LEU HD22 H 11.259 14.975 -6.177 1.00 . A A . 7 LEU HD22 1 1
20 3609 1 1 7 LEU HD23 H 10.030 16.090 -5.578 1.00 . A A . 7 LEU HD23 1 1
20 3610 1 1 7 LEU HG H 9.988 13.079 -5.457 1.00 . A A . 7 LEU HG 1 1
20 3611 1 1 7 LEU N N 12.172 12.782 -4.253 1.00 . A A . 7 LEU N 1 1
20 3612 1 1 7 LEU O O 12.429 14.944 -1.436 1.00 . A A . 7 LEU O 1 1
20 3613 1 1 8 GLY C C 12.711 11.055 0.227 1.00 . A A . 8 GLY C 1 1
20 3614 1 1 8 GLY CA C 12.605 12.519 -0.153 1.00 . A A . 8 GLY CA 1 1
20 3615 1 1 8 GLY H H 12.029 11.927 -2.103 1.00 . A A . 8 GLY H 1 1
20 3616 1 1 8 GLY HA2 H 13.557 12.996 0.023 1.00 . A A . 8 GLY HA2 1 1
20 3617 1 1 8 GLY HA3 H 11.857 12.987 0.470 1.00 . A A . 8 GLY HA3 1 1
20 3618 1 1 8 GLY N N 12.238 12.705 -1.545 1.00 . A A . 8 GLY N 1 1
20 3619 1 1 8 GLY O O 13.803 10.555 0.502 1.00 . A A . 8 GLY O 1 1
20 3620 1 1 9 THR C C 10.240 8.302 0.150 1.00 . A A . 9 THR C 1 1
20 3621 1 1 9 THR CA C 11.544 8.952 0.598 1.00 . A A . 9 THR CA 1 1
20 3622 1 1 9 THR CB C 11.712 8.748 2.115 1.00 . A A . 9 THR CB 1 1
20 3623 1 1 9 THR CG2 C 12.906 7.852 2.412 1.00 . A A . 9 THR CG2 1 1
20 3624 1 1 9 THR H H 10.738 10.821 0.017 1.00 . A A . 9 THR H 1 1
20 3625 1 1 9 THR HA H 12.368 8.465 0.097 1.00 . A A . 9 THR HA 1 1
20 3626 1 1 9 THR HB H 10.821 8.273 2.500 1.00 . A A . 9 THR HB 1 1
20 3627 1 1 9 THR HG1 H 11.026 10.388 2.969 1.00 . A A . 9 THR HG1 1 1
20 3628 1 1 9 THR HG21 H 12.587 6.820 2.428 1.00 . A A . 9 THR HG21 1 1
20 3629 1 1 9 THR HG22 H 13.323 8.115 3.372 1.00 . A A . 9 THR HG22 1 1
20 3630 1 1 9 THR HG23 H 13.654 7.985 1.645 1.00 . A A . 9 THR HG23 1 1
20 3631 1 1 9 THR N N 11.575 10.366 0.245 1.00 . A A . 9 THR N 1 1
20 3632 1 1 9 THR O O 9.460 8.899 -0.592 1.00 . A A . 9 THR O 1 1
20 3633 1 1 9 THR OG1 O 11.886 10.012 2.764 1.00 . A A . 9 THR OG1 1 1
20 3634 1 1 10 TYR C C 7.566 7.232 0.387 1.00 . A A . 10 TYR C 1 1
20 3635 1 1 10 TYR CA C 8.799 6.344 0.251 1.00 . A A . 10 TYR CA 1 1
20 3636 1 1 10 TYR CB C 8.649 5.105 1.136 1.00 . A A . 10 TYR CB 1 1
20 3637 1 1 10 TYR CD1 C 10.228 3.772 -0.315 1.00 . A A . 10 TYR CD1 1 1
20 3638 1 1 10 TYR CD2 C 8.324 2.661 0.591 1.00 . A A . 10 TYR CD2 1 1
20 3639 1 1 10 TYR CE1 C 10.621 2.602 -0.936 1.00 . A A . 10 TYR CE1 1 1
20 3640 1 1 10 TYR CE2 C 8.709 1.487 -0.025 1.00 . A A . 10 TYR CE2 1 1
20 3641 1 1 10 TYR CG C 9.075 3.822 0.459 1.00 . A A . 10 TYR CG 1 1
20 3642 1 1 10 TYR CZ C 9.859 1.462 -0.788 1.00 . A A . 10 TYR CZ 1 1
20 3643 1 1 10 TYR H H 10.668 6.652 1.194 1.00 . A A . 10 TYR H 1 1
20 3644 1 1 10 TYR HA H 8.891 6.030 -0.778 1.00 . A A . 10 TYR HA 1 1
20 3645 1 1 10 TYR HB2 H 9.253 5.228 2.021 1.00 . A A . 10 TYR HB2 1 1
20 3646 1 1 10 TYR HB3 H 7.613 5.001 1.424 1.00 . A A . 10 TYR HB3 1 1
20 3647 1 1 10 TYR HD1 H 10.823 4.667 -0.429 1.00 . A A . 10 TYR HD1 1 1
20 3648 1 1 10 TYR HD2 H 7.424 2.684 1.189 1.00 . A A . 10 TYR HD2 1 1
20 3649 1 1 10 TYR HE1 H 11.521 2.582 -1.533 1.00 . A A . 10 TYR HE1 1 1
20 3650 1 1 10 TYR HE2 H 8.113 0.594 0.090 1.00 . A A . 10 TYR HE2 1 1
20 3651 1 1 10 TYR HH H 10.481 0.478 -2.317 1.00 . A A . 10 TYR HH 1 1
20 3652 1 1 10 TYR N N 10.009 7.076 0.606 1.00 . A A . 10 TYR N 1 1
20 3653 1 1 10 TYR O O 7.356 7.871 1.417 1.00 . A A . 10 TYR O 1 1
20 3654 1 1 10 TYR OH O 10.246 0.295 -1.405 1.00 . A A . 10 TYR OH 1 1
20 3655 1 1 11 VAL C C 4.363 7.301 -1.258 1.00 . A A . 11 VAL C 1 1
20 3656 1 1 11 VAL CA C 5.536 8.072 -0.663 1.00 . A A . 11 VAL CA 1 1
20 3657 1 1 11 VAL CB C 5.731 9.380 -1.453 1.00 . A A . 11 VAL CB 1 1
20 3658 1 1 11 VAL CG1 C 6.173 9.082 -2.878 1.00 . A A . 11 VAL CG1 1 1
20 3659 1 1 11 VAL CG2 C 4.452 10.203 -1.444 1.00 . A A . 11 VAL CG2 1 1
20 3660 1 1 11 VAL H H 6.970 6.734 -1.456 1.00 . A A . 11 VAL H 1 1
20 3661 1 1 11 VAL HA H 5.305 8.327 0.362 1.00 . A A . 11 VAL HA 1 1
20 3662 1 1 11 VAL HB H 6.508 9.956 -0.972 1.00 . A A . 11 VAL HB 1 1
20 3663 1 1 11 VAL HG11 H 5.318 8.776 -3.463 1.00 . A A . 11 VAL HG11 1 1
20 3664 1 1 11 VAL HG12 H 6.610 9.969 -3.313 1.00 . A A . 11 VAL HG12 1 1
20 3665 1 1 11 VAL HG13 H 6.905 8.287 -2.868 1.00 . A A . 11 VAL HG13 1 1
20 3666 1 1 11 VAL HG21 H 4.693 11.243 -1.609 1.00 . A A . 11 VAL HG21 1 1
20 3667 1 1 11 VAL HG22 H 3.795 9.857 -2.230 1.00 . A A . 11 VAL HG22 1 1
20 3668 1 1 11 VAL HG23 H 3.959 10.093 -0.490 1.00 . A A . 11 VAL HG23 1 1
20 3669 1 1 11 VAL N N 6.750 7.265 -0.663 1.00 . A A . 11 VAL N 1 1
20 3670 1 1 11 VAL O O 4.500 6.638 -2.286 1.00 . A A . 11 VAL O 1 1
20 3671 1 1 12 CYS C C 0.779 7.590 -0.908 1.00 . A A . 12 CYS C 1 1
20 3672 1 1 12 CYS CA C 2.011 6.704 -1.068 1.00 . A A . 12 CYS CA 1 1
20 3673 1 1 12 CYS CB C 1.818 5.398 -0.297 1.00 . A A . 12 CYS CB 1 1
20 3674 1 1 12 CYS H H 3.163 7.937 0.210 1.00 . A A . 12 CYS H 1 1
20 3675 1 1 12 CYS HA H 2.143 6.478 -2.116 1.00 . A A . 12 CYS HA 1 1
20 3676 1 1 12 CYS HB2 H 0.766 5.263 -0.089 1.00 . A A . 12 CYS HB2 1 1
20 3677 1 1 12 CYS HB3 H 2.168 4.575 -0.903 1.00 . A A . 12 CYS HB3 1 1
20 3678 1 1 12 CYS N N 3.210 7.393 -0.605 1.00 . A A . 12 CYS N 1 1
20 3679 1 1 12 CYS O O 0.631 8.596 -1.603 1.00 . A A . 12 CYS O 1 1
20 3680 1 1 12 CYS SG S 2.706 5.334 1.292 1.00 . A A . 12 CYS SG 1 1
stop_
save_
Contact the webmaster for help, if required. Saturday, June 1, 2024 3:09:17 PM GMT (wattos1)