NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
394481 |
1r9u   |
cing | 4-filtered-FRED | STAR | entry | full | 79 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1r9u
# This FRED archive file contains, for PDB entry <1r9u>:
#
# - Coordinates and sequence information from the PDB mmCIF file
# - NMR restraints from the PDB MR file
#
# In this file, the coordinates and NMR restraints share the same atom names,
# and in this way can differ from the data deposited at the wwPDB. To achieve
# this aim, the NMR restraints were parsed from their original format files, and
# the coordinates and NMR restraints information were subsequently harmonized.
#
# Due to the complexity of this harmonization process and the filtering process
# used in creating these files, the NMR restraints information in these files
# may differ significantly from that in the originally deposited file. Other
# modifications could have occurred to the NMR restraints information, or data
# could have been lost because of parsing or conversion errors. The PDB file
# remains the authoritative reference for the atomic coordinates and the
# originally deposited restraints files remain the primary reference for these
# data.
#
# This file is generated at the BioMagResBank (BMRB) in collaboration with the
# PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and
# the CMBI/IMM group at the Radboud University of Nijmegen.
#
# Several software packages were used to produce this file:
#
# - Wattos (BMRB and CMBI/IMM).
# - FormatConverter and NMRStarExport (PDBe).
# - CCPN framework (http://www.ccpn.ac.uk/).
#
# More information about this process can be found in the references below.
# Please cite the original reference for this PDB entry.
#
# JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL
# Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED
# containing converted and filtered sets of experimental NMR restraints and
# coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12.
#
# WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL
# Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy:
# development of a software pipeline. Proteins 59, 687-696.
#
# JF Doreleijers, W Vranken, C Penkett, J Lin, CF Schulte, G Vuister, G Vriend,
# JL Markley, EL Ulrich. BioMagResBank database `NMR Restraints Grid` with
# curated sets of experimental NMR restraints for over 4,000 protein and nucleic
# acid PDB entries. (in preparation)
save_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.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_1r9u
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 1r9u
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 1718.90
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 $Zervamicin_IIB A . 1 1
stop_
save_
save_Zervamicin_IIB
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "Zervamicin IIB"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code XWIQXITXLXXQXXXPX
_Entity.Number_of_monomers 17
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 ACE $ACE 1 1
2 TRP . 1 1
3 ILE . 1 1
4 GLN . 1 1
5 . $. 1 1
6 ILE . 1 1
7 THR . 1 1
8 ABA $ABA 1 1
9 LEU . 1 1
10 ABA $ABA 1 1
11 HYP $HYP 1 1
12 GLN . 1 1
13 ABA $ABA 1 1
14 HYP $HYP 1 1
15 ABA $ABA 1 1
16 PRO . 1 1
17 PHL $PHL 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
ACE 1 1 1 1
TRP 2 2 1 1
ILE 3 3 1 1
GLN 4 4 1 1
. 5 5 1 1
ILE 6 6 1 1
THR 7 7 1 1
ABA 8 8 1 1
LEU 9 9 1 1
ABA 10 10 1 1
HYP 11 11 1 1
GLN 12 12 1 1
ABA 13 13 1 1
HYP 14 14 1 1
ABA 15 15 1 1
PRO 16 16 1 1
PHL 17 17 1 1
stop_
save_
save_ACE
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID ACE
_Chem_comp.Type non-polymer
save_
save_ABA
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID ABA
_Chem_comp.Type non-polymer
save_
save_HYP
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID HYP
_Chem_comp.Type non-polymer
save_
save_PHL
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID PHL
_Chem_comp.Type non-polymer
save_
save_.
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID .
_Chem_comp.Type non-polymer
save_
save_DYANA/DIANA_distance_constraints_3_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
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 2 TRP H . 2 TRP HN 1 1
1 1 2 1 1 2 TRP HD1 . 2 TRP HD1 1 1
2 1 1 1 1 2 TRP H . 2 TRP HN 1 1
2 1 2 1 1 3 ILE H . 3 ILE HN 1 1
3 1 1 1 1 2 TRP HA . 2 TRP HA 1 1
3 1 2 1 1 2 TRP HE3 . 2 TRP HE3 1 1
4 1 1 1 1 2 TRP HA . 2 TRP HA 1 1
4 1 2 1 1 3 ILE H . 3 ILE HN 1 1
5 1 1 1 1 2 TRP QB . 2 TRP QB 1 1
5 1 2 1 1 3 ILE H . 3 ILE HN 1 1
6 1 1 1 1 2 TRP QB . 2 TRP QB 1 1
6 1 2 1 1 6 ILE MD . 6 ILE QD1 1 1
7 1 1 1 1 2 TRP QB . 2 TRP QB 1 1
7 1 2 1 1 6 ILE QG . 6 ILE HG13 1 1
8 1 1 1 1 2 TRP HE3 . 2 TRP HE3 1 1
8 1 2 1 1 3 ILE HA . 3 ILE HA 1 1
9 1 1 1 1 2 TRP HE3 . 2 TRP HE3 1 1
9 1 2 1 1 6 ILE MD . 6 ILE QD1 1 1
10 1 1 1 1 2 TRP HZ3 . 2 TRP HZ3 1 1
10 1 2 1 1 6 ILE MD . 6 ILE QD1 1 1
11 1 1 1 1 2 TRP O . 2 TRP O 1 1
11 1 2 1 1 6 ILE H . 6 ILE HN 1 1
12 1 1 1 1 2 TRP O . 2 TRP O 1 1
12 1 2 1 1 6 ILE N . 6 ILE N 1 1
13 1 1 1 1 3 ILE H . 3 ILE HN 1 1
13 1 2 1 1 3 ILE HB . 3 ILE HB 1 1
14 1 1 1 1 3 ILE H . 3 ILE HN 1 1
14 1 2 1 1 4 GLN H . 4 GLN HN 1 1
15 1 1 1 1 3 ILE HA . 3 ILE HA 1 1
15 1 2 1 1 3 ILE HG13 . 3 ILE HG13 1 1
16 1 1 1 1 3 ILE HA . 3 ILE HA 1 1
16 1 2 1 1 4 GLN H . 4 GLN HN 1 1
17 1 1 1 1 3 ILE HA . 3 ILE HA 1 1
17 1 2 1 1 6 ILE H . 6 ILE HN 1 1
18 1 1 1 1 3 ILE HA . 3 ILE HA 1 1
18 1 2 1 1 6 ILE HB . 6 ILE HB 1 1
19 1 1 1 1 3 ILE HA . 3 ILE HA 1 1
19 1 2 1 1 6 ILE MD . 6 ILE QD1 1 1
20 1 1 1 1 3 ILE HA . 3 ILE HA 1 1
20 1 2 1 1 6 ILE QG . 6 ILE QG1 1 1
21 1 1 1 1 3 ILE HA . 3 ILE HA 1 1
21 1 2 1 1 6 ILE MG . 6 ILE QG2 1 1
22 1 1 1 1 3 ILE MD . 3 ILE QD1 1 1
22 1 2 1 1 4 GLN HA . 4 GLN HA 1 1
23 1 1 1 1 3 ILE MD . 3 ILE QD1 1 1
23 1 2 1 1 6 ILE HB . 6 ILE HB 1 1
24 1 1 1 1 3 ILE MD . 3 ILE QD1 1 1
24 1 2 1 1 7 THR HG1 . 7 THR HG1 1 1
25 1 1 1 1 3 ILE O . 3 ILE O 1 1
25 1 2 1 1 7 THR H . 7 THR HN 1 1
26 1 1 1 1 3 ILE O . 3 ILE O 1 1
26 1 2 1 1 7 THR N . 7 THR N 1 1
27 1 1 1 1 4 GLN H . 4 GLN HN 1 1
27 1 2 1 1 4 GLN HB2 . 4 GLN HB2 1 1
28 1 1 1 1 4 GLN H . 4 GLN HN 1 1
28 1 2 1 1 4 GLN HB3 . 4 GLN HB3 1 1
29 1 1 1 1 4 GLN HA . 4 GLN HA 1 1
29 1 2 1 1 4 GLN HB3 . 4 GLN HB3 1 1
30 1 1 1 1 4 GLN HA . 4 GLN HA 1 1
30 1 2 1 1 4 GLN QG . 4 GLN QG 1 1
31 1 1 1 1 4 GLN HA . 4 GLN HA 1 1
31 1 2 1 1 7 THR H . 7 THR HN 1 1
32 1 1 1 1 4 GLN HA . 4 GLN HA 1 1
32 1 2 1 1 7 THR HB . 7 THR HB 1 1
33 1 1 1 1 4 GLN HA . 4 GLN HA 1 1
33 1 2 1 1 7 THR HG1 . 7 THR HG1 1 1
34 1 1 1 1 4 GLN O . 4 GLN O 1 1
34 1 2 1 1 8 ABA N . 8 AIB N 1 1
35 1 1 1 1 6 ILE H . 6 ILE HN 1 1
35 1 2 1 1 6 ILE HA . 6 ILE HA 1 1
36 1 1 1 1 6 ILE H . 6 ILE HN 1 1
36 1 2 1 1 6 ILE HB . 6 ILE HB 1 1
37 1 1 1 1 6 ILE HA . 6 ILE HA 1 1
37 1 2 1 1 9 LEU H . 9 LEU HN 1 1
38 1 1 1 1 6 ILE HA . 6 ILE HA 1 1
38 1 2 1 1 9 LEU QB . 9 LEU HB2 1 1
39 1 1 1 1 6 ILE HB . 6 ILE HB 1 1
39 1 2 1 1 9 LEU H . 9 LEU HN 1 1
40 1 1 1 1 6 ILE MG . 6 ILE QG2 1 1
40 1 2 1 1 7 THR HA . 7 THR HA 1 1
41 1 1 1 1 6 ILE MG . 6 ILE QG2 1 1
41 1 2 1 1 7 THR HG1 . 7 THR HG1 1 1
42 1 1 1 1 6 ILE O . 6 ILE O 1 1
42 1 2 1 1 10 ABA N . 10 AIB N 1 1
43 1 1 1 1 7 THR H . 7 THR HN 1 1
43 1 2 1 1 7 THR HA . 7 THR HA 1 1
44 1 1 1 1 7 THR H . 7 THR HN 1 1
44 1 2 1 1 7 THR HB . 7 THR HB 1 1
45 1 1 1 1 7 THR H . 7 THR HN 1 1
45 1 2 1 1 7 THR HG1 . 7 THR HG1 1 1
46 1 1 1 1 7 THR H . 7 THR HN 1 1
46 1 2 1 1 9 LEU H . 9 LEU HN 1 1
47 1 1 1 1 7 THR HA . 7 THR HA 1 1
47 1 2 1 1 7 THR HB . 7 THR HB 1 1
48 1 1 1 1 7 THR HA . 7 THR HA 1 1
48 1 2 1 1 9 LEU H . 9 LEU HN 1 1
49 1 1 1 1 9 LEU H . 9 LEU HN 1 1
49 1 2 1 1 9 LEU HA . 9 LEU HA 1 1
50 1 1 1 1 9 LEU H . 9 LEU HN 1 1
50 1 2 1 1 9 LEU QB . 9 LEU HB2 1 1
51 1 1 1 1 9 LEU H . 9 LEU HN 1 1
51 1 2 1 1 9 LEU HG . 9 LEU HG 1 1
52 1 1 1 1 9 LEU HA . 9 LEU HA 1 1
52 1 2 1 1 12 GLN H . 12 GLN HN 1 1
53 1 1 1 1 9 LEU HA . 9 LEU HA 1 1
53 1 2 1 1 12 GLN QB . 12 GLN HB2 1 1
54 1 1 1 1 9 LEU HA . 9 LEU HA 1 1
54 1 2 1 1 12 GLN QG . 12 GLN QG 1 1
55 1 1 1 1 9 LEU QB . 9 LEU HB3 1 1
55 1 2 1 1 12 GLN QB . 12 GLN HB3 1 1
56 1 1 1 1 9 LEU MD2 . 9 LEU QD1 1 1
56 1 2 1 1 12 GLN QB . 12 GLN HB3 1 1
57 1 1 1 1 9 LEU O . 9 LEU O 1 1
57 1 2 1 1 12 GLN H . 12 GLN HN 1 1
58 1 1 1 1 9 LEU O . 9 LEU O 1 1
58 1 2 1 1 12 GLN N . 12 GLN N 1 1
59 1 1 1 1 9 LEU O . 9 LEU O 1 1
59 1 2 1 1 13 ABA N . 13 AIB N 1 1
60 1 1 1 1 10 ABA O . 10 AIB O 1 1
60 1 2 1 1 13 ABA N . 13 AIB N 1 1
61 1 1 1 1 11 HYP HA . 11 HYP HA 1 1
61 1 2 1 1 14 HYP HG . 14 HYP HG 1 1
62 1 1 1 1 11 HYP HB2 . 11 HYP HB2 1 1
62 1 2 1 1 12 GLN H . 12 GLN HN 1 1
63 1 1 1 1 12 GLN H . 12 GLN HN 1 1
63 1 2 1 1 12 GLN HA . 12 GLN HA 1 1
64 1 1 1 1 12 GLN H . 12 GLN HN 1 1
64 1 2 1 1 12 GLN QB . 12 GLN HB2 1 1
65 1 1 1 1 12 GLN HA . 12 GLN HA 1 1
65 1 2 1 1 16 PRO QD . 16 PRO HD3 1 1
66 1 1 1 1 12 GLN HA . 12 GLN HA 1 1
66 1 2 1 1 16 PRO QG . 16 PRO QG 1 1
67 1 1 1 1 12 GLN QB . 12 GLN HB3 1 1
67 1 2 1 1 16 PRO QD . 16 PRO HD3 1 1
68 1 1 1 1 12 GLN O . 12 GLN O 1 1
68 1 2 1 1 15 ABA N . 15 AIB N 1 1
69 1 1 1 1 14 HYP O . 14 HYP O 1 1
69 1 2 1 1 17 PHL N . 17 PHL N 1 1
70 1 1 1 1 16 PRO QB . 16 PRO HB2 1 1
70 1 2 1 1 17 PHL HB2 . 17 PHL HB2 1 1
71 1 1 1 1 16 PRO QD . 16 PRO HD2 1 1
71 1 2 1 1 17 PHL HB2 . 17 PHL 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 . . . . . . . 4.72 1 1
2 1 . . . . . . . 3.33 1 1
3 1 . . . . . . . 5.5 1 1
4 1 . . . . . . . 3.58 1 1
5 1 . . . . . . . 4.86 1 1
6 1 . . . . . . . 7.4 1 1
7 1 . . . . . . . 3.0 1 1
8 1 . . . . . . . 5.5 1 1
9 1 . . . . . . . 6.19 1 1
10 1 . . . . . . . 6.53 1 1
11 1 . . . . . . . 1.8 1 1
12 1 . . . . . . . 2.8 1 1
13 1 . . . . . . . 2.96 1 1
14 1 . . . . . . . 3.17 1 1
15 1 . . . . . . . 3.0 1 1
16 1 . . . . . . . 3.45 1 1
17 1 . . . . . . . 3.64 1 1
18 1 . . . . . . . 3.48 1 1
19 1 . . . . . . . 5.1 1 1
20 1 . . . . . . . 5.45 1 1
21 1 . . . . . . . 4.42 1 1
22 1 . . . . . . . 6.53 1 1
23 1 . . . . . . . 3.0 1 1
24 1 . . . . . . . 6.53 1 1
25 1 . . . . . . . 1.8 1 1
26 1 . . . . . . . 2.8 1 1
27 1 . . . . . . . 3.08 1 1
28 1 . . . . . . . 3.86 1 1
29 1 . . . . . . . 2.99 1 1
30 1 . . . . . . . 3.71 1 1
31 1 . . . . . . . 3.61 1 1
32 1 . . . . . . . 2.87 1 1
33 1 . . . . . . . 5.5 1 1
34 1 . . . . . . . 2.8 1 1
35 1 . . . . . . . 2.77 1 1
36 1 . . . . . . . 2.68 1 1
37 1 . . . . . . . 4.17 1 1
38 1 . . . . . . . 3.21 1 1
39 1 . . . . . . . 5.5 1 1
40 1 . . . . . . . 6.53 1 1
41 1 . . . . . . . 3.0 1 1
42 1 . . . . . . . 2.8 1 1
43 1 . . . . . . . 2.93 1 1
44 1 . . . . . . . 2.8 1 1
45 1 . . . . . . . 4.35 1 1
46 1 . . . . . . . 5.5 1 1
47 1 . . . . . . . 3.02 1 1
48 1 . . . . . . . 5.5 1 1
49 1 . . . . . . . 2.93 1 1
50 1 . . . . . . . 2.71 1 1
51 1 . . . . . . . 4.04 1 1
52 1 . . . . . . . 4.11 1 1
53 1 . . . . . . . 3.92 1 1
54 1 . . . . . . . 6.38 1 1
55 1 . . . . . . . 3.0 1 1
56 1 . . . . . . . 3.0 1 1
57 1 . . . . . . . 1.8 1 1
58 1 . . . . . . . 2.8 1 1
59 1 . . . . . . . 3.1 1 1
60 1 . . . . . . . 3.1 1 1
61 1 . . . . . . . 3.0 1 1
62 1 . . . . . . . 3.83 1 1
63 1 . . . . . . . 2.84 1 1
64 1 . . . . . . . 2.9 1 1
65 1 . . . . . . . 3.0 1 1
66 1 . . . . . . . 3.0 1 1
67 1 . . . . . . . 3.0 1 1
68 1 . . . . . . . 2.8 1 1
69 1 . . . . . . . 2.8 1 1
70 1 . . . . . . . 3.0 1 1
71 1 . . . . . . . 5.5 1 1
stop_
save_
save_DYANA/DIANA_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID 1
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID .
_Torsion_angle_constraint_list.Block_ID .
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 PHI 1 1 2 TRP C 1 1 3 ILE N 1 1 3 ILE CA 1 1 3 ILE C -89.99999 -40.0 . . . . . . . . . . . . . . . . 1 1
2 PHI 1 1 3 ILE C 1 1 4 GLN N 1 1 4 GLN CA 1 1 4 GLN C -89.99999 -40.0 . . . . . . . . . . . . . . . . 1 1
3 CHI1 1 1 4 GLN N 1 1 4 GLN CA 1 1 4 GLN CB 1 1 4 GLN CG -89.99999 -30.0 . . . . . . . . . . . . . . . . 1 1
4 PHI 1 1 6 ILE C 1 1 7 THR N 1 1 7 THR CA 1 1 7 THR C -89.99999 -40.0 . . . . . . . . . . . . . . . . 1 1
5 PHI 1 1 8 ABA C 1 1 9 LEU N 1 1 9 LEU CA 1 1 9 LEU C -100.0 -70.0 . . . . . . . . . . . . . . . . 1 1
6 CHI1 1 1 9 LEU N 1 1 9 LEU CA 1 1 9 LEU CB 1 1 9 LEU CG -89.99999 -30.0 . . . . . . . . . . . . . . . . 1 1
7 PHI 1 1 11 HYP C 1 1 12 GLN N 1 1 12 GLN CA 1 1 12 GLN C -160.0 -80.0 . . . . . . . . . . . . . . . . 1 1
8 CHI1 1 1 12 GLN N 1 1 12 GLN CA 1 1 12 GLN CB 1 1 12 GLN CG -89.99999 -30.0 . . . . . . . . . . . . . . . . 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 ACE C C -9.617 2.852 4.049 1.00 . A A . 1 ACE C 1 1
1 2 1 1 1 ACE CH3 C -11.005 2.533 4.489 1.00 . A A . 1 ACE CH3 1 1
1 3 1 1 1 ACE H1 H -10.990 2.195 5.525 1.00 . A A . 1 ACE H1 1 1
1 4 1 1 1 ACE H2 H -11.626 3.425 4.407 1.00 . A A . 1 ACE H2 1 1
1 5 1 1 1 ACE H3 H -11.415 1.746 3.856 1.00 . A A . 1 ACE H3 1 1
1 6 1 1 1 ACE O O -9.098 2.233 3.121 1.00 . A A . 1 ACE O 1 1
1 7 1 1 2 TRP C C -6.725 3.099 4.822 1.00 . A A . 2 TRP C 1 1
1 8 1 1 2 TRP CA C -7.667 4.234 4.414 1.00 . A A . 2 TRP CA 1 1
1 9 1 1 2 TRP CB C -7.326 5.564 5.089 1.00 . A A . 2 TRP CB 1 1
1 10 1 1 2 TRP CD1 C -8.131 5.645 7.539 1.00 . A A . 2 TRP CD1 1 1
1 11 1 1 2 TRP CD2 C -5.974 5.178 7.342 1.00 . A A . 2 TRP CD2 1 1
1 12 1 1 2 TRP CE2 C -6.271 5.190 8.688 1.00 . A A . 2 TRP CE2 1 1
1 13 1 1 2 TRP CE3 C -4.673 4.910 6.881 1.00 . A A . 2 TRP CE3 1 1
1 14 1 1 2 TRP CG C -7.181 5.472 6.608 1.00 . A A . 2 TRP CG 1 1
1 15 1 1 2 TRP CH2 C -4.018 4.672 9.250 1.00 . A A . 2 TRP CH2 1 1
1 16 1 1 2 TRP CZ2 C -5.320 4.941 9.686 1.00 . A A . 2 TRP CZ2 1 1
1 17 1 1 2 TRP CZ3 C -3.734 4.664 7.890 1.00 . A A . 2 TRP CZ3 1 1
1 18 1 1 2 TRP H H -9.457 4.329 5.474 1.00 . A A . 2 TRP H 1 1
1 19 1 1 2 TRP HA H -7.607 4.399 3.338 1.00 . A A . 2 TRP HA 1 1
1 20 1 1 2 TRP HB2 H -6.396 5.945 4.668 1.00 . A A . 2 TRP HB2 1 1
1 21 1 1 2 TRP HB3 H -8.104 6.290 4.850 1.00 . A A . 2 TRP HB3 1 1
1 22 1 1 2 TRP HD1 H -9.171 5.882 7.318 1.00 . A A . 2 TRP HD1 1 1
1 23 1 1 2 TRP HE1 H -8.183 5.568 9.745 1.00 . A A . 2 TRP HE1 1 1
1 24 1 1 2 TRP HE3 H -4.412 4.895 5.822 1.00 . A A . 2 TRP HE3 1 1
1 25 1 1 2 TRP HH2 H -3.229 4.470 9.975 1.00 . A A . 2 TRP HH2 1 1
1 26 1 1 2 TRP HZ2 H -5.581 4.956 10.744 1.00 . A A . 2 TRP HZ2 1 1
1 27 1 1 2 TRP HZ3 H -2.709 4.450 7.587 1.00 . A A . 2 TRP HZ3 1 1
1 28 1 1 2 TRP N N -9.025 3.825 4.726 1.00 . A A . 2 TRP N 1 1
1 29 1 1 2 TRP NE1 N -7.625 5.482 8.813 1.00 . A A . 2 TRP NE1 1 1
1 30 1 1 2 TRP O O -5.714 2.860 4.164 1.00 . A A . 2 TRP O 1 1
1 31 1 1 3 ILE C C -6.318 0.158 5.502 1.00 . A A . 3 ILE C 1 1
1 32 1 1 3 ILE CA C -6.263 1.364 6.441 1.00 . A A . 3 ILE CA 1 1
1 33 1 1 3 ILE CB C -6.671 1.041 7.880 1.00 . A A . 3 ILE CB 1 1
1 34 1 1 3 ILE CD1 C -4.289 0.896 8.695 1.00 . A A . 3 ILE CD1 1 1
1 35 1 1 3 ILE CG1 C -5.624 0.158 8.562 1.00 . A A . 3 ILE CG1 1 1
1 36 1 1 3 ILE CG2 C -8.066 0.414 7.928 1.00 . A A . 3 ILE CG2 1 1
1 37 1 1 3 ILE H H -7.936 2.604 6.411 1.00 . A A . 3 ILE H 1 1
1 38 1 1 3 ILE HA H -5.238 1.731 6.472 1.00 . A A . 3 ILE HA 1 1
1 39 1 1 3 ILE HB H -6.719 1.975 8.439 1.00 . A A . 3 ILE HB 1 1
1 40 1 1 3 ILE HD11 H -4.475 1.953 8.882 1.00 . A A . 3 ILE HD11 1 1
1 41 1 1 3 ILE HD12 H -3.723 0.473 9.526 1.00 . A A . 3 ILE HD12 1 1
1 42 1 1 3 ILE HD13 H -3.719 0.784 7.774 1.00 . A A . 3 ILE HD13 1 1
1 43 1 1 3 ILE HG12 H -5.980 -0.138 9.549 1.00 . A A . 3 ILE HG12 1 1
1 44 1 1 3 ILE HG13 H -5.482 -0.756 7.987 1.00 . A A . 3 ILE HG13 1 1
1 45 1 1 3 ILE HG21 H -8.071 -0.507 7.343 1.00 . A A . 3 ILE HG21 1 1
1 46 1 1 3 ILE HG22 H -8.329 0.191 8.961 1.00 . A A . 3 ILE HG22 1 1
1 47 1 1 3 ILE HG23 H -8.792 1.113 7.510 1.00 . A A . 3 ILE HG23 1 1
1 48 1 1 3 ILE N N -7.091 2.430 5.905 1.00 . A A . 3 ILE N 1 1
1 49 1 1 3 ILE O O -5.394 -0.653 5.471 1.00 . A A . 3 ILE O 1 1
1 50 1 1 4 GLN C C -6.728 -0.545 2.489 1.00 . A A . 4 GLN C 1 1
1 51 1 1 4 GLN CA C -7.540 -0.937 3.724 1.00 . A A . 4 GLN CA 1 1
1 52 1 1 4 GLN CB C -9.010 -1.168 3.364 1.00 . A A . 4 GLN CB 1 1
1 53 1 1 4 GLN CD C -11.182 -2.135 4.203 1.00 . A A . 4 GLN CD 1 1
1 54 1 1 4 GLN CG C -9.657 -2.172 4.320 1.00 . A A . 4 GLN CG 1 1
1 55 1 1 4 GLN H H -8.196 0.689 4.849 1.00 . A A . 4 GLN H 1 1
1 56 1 1 4 GLN HA H -7.133 -1.849 4.161 1.00 . A A . 4 GLN HA 1 1
1 57 1 1 4 GLN HB2 H -9.550 -0.222 3.403 1.00 . A A . 4 GLN HB2 1 1
1 58 1 1 4 GLN HB3 H -9.083 -1.535 2.340 1.00 . A A . 4 GLN HB3 1 1
1 59 1 1 4 GLN HE21 H -11.039 -3.315 2.563 1.00 . A A . 4 GLN HE21 1 1
1 60 1 1 4 GLN HE22 H -12.650 -2.865 3.015 1.00 . A A . 4 GLN HE22 1 1
1 61 1 1 4 GLN HG2 H -9.296 -3.176 4.097 1.00 . A A . 4 GLN HG2 1 1
1 62 1 1 4 GLN HG3 H -9.362 -1.947 5.344 1.00 . A A . 4 GLN HG3 1 1
1 63 1 1 4 GLN N N -7.410 0.078 4.756 1.00 . A A . 4 GLN N 1 1
1 64 1 1 4 GLN NE2 N -11.663 -2.829 3.175 1.00 . A A . 4 GLN NE2 1 1
1 65 1 1 4 GLN O O -5.926 -1.335 1.993 1.00 . A A . 4 GLN O 1 1
1 66 1 1 4 GLN OE1 O -11.876 -1.515 4.992 1.00 . A A . 4 GLN OE1 1 1
1 67 1 1 5 . C C -4.658 1.039 1.164 1.00 . A A . 5 DIV C 1 1
1 68 1 1 5 . CA C -6.160 1.237 0.955 1.00 . A A . 5 DIV CA 1 1
1 69 1 1 5 . CB1 C -6.543 0.582 -0.372 1.00 . A A . 5 DIV CB1 1 1
1 70 1 1 5 . CB2 C -6.435 2.740 0.898 1.00 . A A . 5 DIV CB2 1 1
1 71 1 1 5 . CG1 C -8.003 0.825 -0.760 1.00 . A A . 5 DIV CG1 1 1
1 72 1 1 5 . H H -7.683 1.275 2.376 1.00 . A A . 5 DIV H 1 1
1 73 1 1 5 . HB11 H -6.393 -0.495 -0.302 1.00 . A A . 5 DIV HB11 1 1
1 74 1 1 5 . HB12 H -5.917 0.983 -1.170 1.00 . A A . 5 DIV HB12 1 1
1 75 1 1 5 . HB21 H -7.512 2.911 0.893 1.00 . A A . 5 DIV HB21 1 1
1 76 1 1 5 . HB22 H -5.997 3.223 1.772 1.00 . A A . 5 DIV HB22 1 1
1 77 1 1 5 . HB23 H -5.996 3.157 -0.008 1.00 . A A . 5 DIV HB23 1 1
1 78 1 1 5 . HG11 H -8.136 1.870 -1.040 1.00 . A A . 5 DIV HG11 1 1
1 79 1 1 5 . HG12 H -8.266 0.188 -1.604 1.00 . A A . 5 DIV HG12 1 1
1 80 1 1 5 . HG13 H -8.648 0.592 0.087 1.00 . A A . 5 DIV HG13 1 1
1 81 1 1 5 . N N -6.962 0.675 2.028 1.00 . A A . 5 DIV N 1 1
1 82 1 1 5 . O O -3.950 0.623 0.250 1.00 . A A . 5 DIV O 1 1
1 83 1 1 6 ILE C C -2.235 -0.010 2.765 1.00 . A A . 6 ILE C 1 1
1 84 1 1 6 ILE CA C -2.793 1.411 2.660 1.00 . A A . 6 ILE CA 1 1
1 85 1 1 6 ILE CB C -2.532 2.268 3.900 1.00 . A A . 6 ILE CB 1 1
1 86 1 1 6 ILE CD1 C -0.964 3.948 4.937 1.00 . A A . 6 ILE CD1 1 1
1 87 1 1 6 ILE CG1 C -1.127 2.873 3.862 1.00 . A A . 6 ILE CG1 1 1
1 88 1 1 6 ILE CG2 C -2.777 1.468 5.180 1.00 . A A . 6 ILE CG2 1 1
1 89 1 1 6 ILE H H -4.812 1.550 3.152 1.00 . A A . 6 ILE H 1 1
1 90 1 1 6 ILE HA H -2.314 1.908 1.817 1.00 . A A . 6 ILE HA 1 1
1 91 1 1 6 ILE HB H -3.240 3.097 3.897 1.00 . A A . 6 ILE HB 1 1
1 92 1 1 6 ILE HD11 H -0.010 4.458 4.801 1.00 . A A . 6 ILE HD11 1 1
1 93 1 1 6 ILE HD12 H -1.777 4.671 4.855 1.00 . A A . 6 ILE HD12 1 1
1 94 1 1 6 ILE HD13 H -0.990 3.483 5.923 1.00 . A A . 6 ILE HD13 1 1
1 95 1 1 6 ILE HG12 H -0.385 2.088 4.011 1.00 . A A . 6 ILE HG12 1 1
1 96 1 1 6 ILE HG13 H -0.940 3.305 2.879 1.00 . A A . 6 ILE HG13 1 1
1 97 1 1 6 ILE HG21 H -2.840 2.151 6.028 1.00 . A A . 6 ILE HG21 1 1
1 98 1 1 6 ILE HG22 H -3.713 0.915 5.090 1.00 . A A . 6 ILE HG22 1 1
1 99 1 1 6 ILE HG23 H -1.955 0.770 5.336 1.00 . A A . 6 ILE HG23 1 1
1 100 1 1 6 ILE N N -4.217 1.347 2.376 1.00 . A A . 6 ILE N 1 1
1 101 1 1 6 ILE O O -1.090 -0.260 2.393 1.00 . A A . 6 ILE O 1 1
1 102 1 1 7 THR C C -2.540 -2.950 2.038 1.00 . A A . 7 THR C 1 1
1 103 1 1 7 THR CA C -2.682 -2.297 3.414 1.00 . A A . 7 THR CA 1 1
1 104 1 1 7 THR CB C -3.712 -2.988 4.311 1.00 . A A . 7 THR CB 1 1
1 105 1 1 7 THR CG2 C -3.476 -4.495 4.419 1.00 . A A . 7 THR CG2 1 1
1 106 1 1 7 THR H H -3.995 -0.688 3.591 1.00 . A A . 7 THR H 1 1
1 107 1 1 7 THR HA H -1.702 -2.335 3.889 1.00 . A A . 7 THR HA 1 1
1 108 1 1 7 THR HB H -4.726 -2.774 3.974 1.00 . A A . 7 THR HB 1 1
1 109 1 1 7 THR HG1 H -3.918 -1.645 5.780 1.00 . A A . 7 THR HG1 1 1
1 110 1 1 7 THR HG21 H -4.158 -4.917 5.157 1.00 . A A . 7 THR HG21 1 1
1 111 1 1 7 THR HG22 H -3.655 -4.961 3.450 1.00 . A A . 7 THR HG22 1 1
1 112 1 1 7 THR HG23 H -2.447 -4.682 4.728 1.00 . A A . 7 THR HG23 1 1
1 113 1 1 7 THR N N -3.070 -0.903 3.276 1.00 . A A . 7 THR N 1 1
1 114 1 1 7 THR O O -1.603 -3.710 1.802 1.00 . A A . 7 THR O 1 1
1 115 1 1 7 THR OG1 O -3.419 -2.495 5.616 1.00 . A A . 7 THR OG1 1 1
1 116 1 1 8 ABA C C -2.239 -2.606 -0.988 1.00 . A A . 8 AIB C 1 1
1 117 1 1 8 ABA CA C -3.442 -3.127 -0.199 1.00 . A A . 8 AIB CA 1 1
1 118 1 1 8 ABA H H -4.267 -2.044 1.378 1.00 . A A . 8 AIB H 1 1
1 119 1 1 8 ABA N N -3.484 -2.630 1.165 1.00 . A A . 8 AIB N 1 1
1 120 1 1 8 ABA O O -1.660 -3.331 -1.795 1.00 . A A . 8 AIB O 1 1
1 121 1 1 9 LEU C C 0.495 -0.945 -0.865 1.00 . A A . 9 LEU C 1 1
1 122 1 1 9 LEU CA C -0.870 -0.679 -1.500 1.00 . A A . 9 LEU CA 1 1
1 123 1 1 9 LEU CB C -1.200 0.807 -1.651 1.00 . A A . 9 LEU CB 1 1
1 124 1 1 9 LEU CD1 C -2.880 2.585 -2.265 1.00 . A A . 9 LEU CD1 1 1
1 125 1 1 9 LEU CD2 C -2.182 0.845 -3.973 1.00 . A A . 9 LEU CD2 1 1
1 126 1 1 9 LEU CG C -2.432 1.140 -2.494 1.00 . A A . 9 LEU CG 1 1
1 127 1 1 9 LEU H H -2.314 -0.800 -0.004 1.00 . A A . 9 LEU H 1 1
1 128 1 1 9 LEU HA H -0.877 -1.113 -2.499 1.00 . A A . 9 LEU HA 1 1
1 129 1 1 9 LEU HB2 H -1.338 1.231 -0.656 1.00 . A A . 9 LEU HB2 1 1
1 130 1 1 9 LEU HB3 H -0.337 1.307 -2.092 1.00 . A A . 9 LEU HB3 1 1
1 131 1 1 9 LEU HD11 H -2.074 3.264 -2.546 1.00 . A A . 9 LEU HD11 1 1
1 132 1 1 9 LEU HD12 H -3.759 2.794 -2.874 1.00 . A A . 9 LEU HD12 1 1
1 133 1 1 9 LEU HD13 H -3.124 2.728 -1.212 1.00 . A A . 9 LEU HD13 1 1
1 134 1 1 9 LEU HD21 H -3.000 1.248 -4.569 1.00 . A A . 9 LEU HD21 1 1
1 135 1 1 9 LEU HD22 H -1.244 1.309 -4.283 1.00 . A A . 9 LEU HD22 1 1
1 136 1 1 9 LEU HD23 H -2.120 -0.233 -4.123 1.00 . A A . 9 LEU HD23 1 1
1 137 1 1 9 LEU HG H -3.251 0.496 -2.170 1.00 . A A . 9 LEU HG 1 1
1 138 1 1 9 LEU N N -1.900 -1.352 -0.727 1.00 . A A . 9 LEU N 1 1
1 139 1 1 9 LEU O O 1.527 -0.793 -1.516 1.00 . A A . 9 LEU O 1 1
1 140 1 1 10 ABA C C 2.808 -2.147 0.464 1.00 . A A . 10 AIB C 1 1
1 141 1 1 10 ABA CA C 1.671 -1.429 1.193 1.00 . A A . 10 AIB CA 1 1
1 142 1 1 10 ABA H H -0.382 -1.591 0.883 1.00 . A A . 10 AIB H 1 1
1 143 1 1 10 ABA N N 0.457 -1.338 0.400 1.00 . A A . 10 AIB N 1 1
1 144 1 1 10 ABA O O 3.907 -1.608 0.334 1.00 . A A . 10 AIB O 1 1
1 145 1 1 11 HYP C C 3.959 -3.802 -1.939 1.00 . A A . 11 HYP C 1 1
1 146 1 1 11 HYP CA C 3.525 -4.260 -0.545 1.00 . A A . 11 HYP CA 1 1
1 147 1 1 11 HYP CB C 2.901 -5.646 -0.544 1.00 . A A . 11 HYP CB 1 1
1 148 1 1 11 HYP CD C 1.166 -3.982 -0.038 1.00 . A A . 11 HYP CD 1 1
1 149 1 1 11 HYP CG C 1.400 -5.428 -0.443 1.00 . A A . 11 HYP CG 1 1
1 150 1 1 11 HYP HA H 4.418 -4.218 0.077 1.00 . A A . 11 HYP HA 1 1
1 151 1 1 11 HYP HB2 H 3.156 -6.191 -1.453 1.00 . A A . 11 HYP HB2 1 1
1 152 1 1 11 HYP HB3 H 3.266 -6.238 0.295 1.00 . A A . 11 HYP HB3 1 1
1 153 1 1 11 HYP HD1 H 1.382 -5.944 1.550 1.00 . A A . 11 HYP HD1 1 1
1 154 1 1 11 HYP HD22 H 0.519 -3.470 -0.750 1.00 . A A . 11 HYP HD22 1 1
1 155 1 1 11 HYP HD23 H 0.680 -3.917 0.936 1.00 . A A . 11 HYP HD23 1 1
1 156 1 1 11 HYP HG H 0.885 -5.682 -1.369 1.00 . A A . 11 HYP HG 1 1
1 157 1 1 11 HYP N N 2.498 -3.385 -0.006 1.00 . A A . 11 HYP N 1 1
1 158 1 1 11 HYP O O 4.988 -4.243 -2.448 1.00 . A A . 11 HYP O 1 1
1 159 1 1 11 HYP OD1 O 0.940 -6.255 0.708 1.00 . A A . 11 HYP OD1 1 1
1 160 1 1 12 GLN C C 4.325 -1.305 -3.932 1.00 . A A . 12 GLN C 1 1
1 161 1 1 12 GLN CA C 3.369 -2.499 -3.889 1.00 . A A . 12 GLN CA 1 1
1 162 1 1 12 GLN CB C 2.043 -2.164 -4.574 1.00 . A A . 12 GLN CB 1 1
1 163 1 1 12 GLN CD C -0.184 -3.072 -5.336 1.00 . A A . 12 GLN CD 1 1
1 164 1 1 12 GLN CG C 1.091 -3.363 -4.542 1.00 . A A . 12 GLN CG 1 1
1 165 1 1 12 GLN H H 2.367 -2.503 -2.062 1.00 . A A . 12 GLN H 1 1
1 166 1 1 12 GLN HA H 3.824 -3.355 -4.388 1.00 . A A . 12 GLN HA 1 1
1 167 1 1 12 GLN HB2 H 1.578 -1.313 -4.079 1.00 . A A . 12 GLN HB2 1 1
1 168 1 1 12 GLN HB3 H 2.227 -1.870 -5.608 1.00 . A A . 12 GLN HB3 1 1
1 169 1 1 12 GLN HE21 H 0.769 -3.708 -7.006 1.00 . A A . 12 GLN HE21 1 1
1 170 1 1 12 GLN HE22 H -0.867 -3.189 -7.238 1.00 . A A . 12 GLN HE22 1 1
1 171 1 1 12 GLN HG2 H 1.591 -4.239 -4.955 1.00 . A A . 12 GLN HG2 1 1
1 172 1 1 12 GLN HG3 H 0.835 -3.599 -3.509 1.00 . A A . 12 GLN HG3 1 1
1 173 1 1 12 GLN N N 3.154 -2.923 -2.516 1.00 . A A . 12 GLN N 1 1
1 174 1 1 12 GLN NE2 N -0.086 -3.346 -6.634 1.00 . A A . 12 GLN NE2 1 1
1 175 1 1 12 GLN O O 5.090 -1.151 -4.884 1.00 . A A . 12 GLN O 1 1
1 176 1 1 12 GLN OE1 O -1.188 -2.629 -4.806 1.00 . A A . 12 GLN OE1 1 1
1 177 1 1 13 ABA C C 6.383 0.733 -3.273 1.00 . A A . 13 AIB C 1 1
1 178 1 1 13 ABA CA C 4.898 0.811 -2.909 1.00 . A A . 13 AIB CA 1 1
1 179 1 1 13 ABA H H 3.759 -0.705 -2.046 1.00 . A A . 13 AIB H 1 1
1 180 1 1 13 ABA N N 4.249 -0.490 -2.891 1.00 . A A . 13 AIB N 1 1
1 181 1 1 13 ABA O O 6.842 1.432 -4.174 1.00 . A A . 13 AIB O 1 1
1 182 1 1 14 HYP C C 9.049 -0.795 -3.898 1.00 . A A . 14 HYP C 1 1
1 183 1 1 14 HYP CA C 8.562 -0.156 -2.596 1.00 . A A . 14 HYP CA 1 1
1 184 1 1 14 HYP CB C 9.003 -0.920 -1.358 1.00 . A A . 14 HYP CB 1 1
1 185 1 1 14 HYP CD C 6.572 -1.150 -1.621 1.00 . A A . 14 HYP CD 1 1
1 186 1 1 14 HYP CG C 7.787 -1.706 -0.896 1.00 . A A . 14 HYP CG 1 1
1 187 1 1 14 HYP HA H 8.944 0.864 -2.600 1.00 . A A . 14 HYP HA 1 1
1 188 1 1 14 HYP HB2 H 9.836 -1.586 -1.586 1.00 . A A . 14 HYP HB2 1 1
1 189 1 1 14 HYP HB3 H 9.346 -0.237 -0.580 1.00 . A A . 14 HYP HB3 1 1
1 190 1 1 14 HYP HD1 H 6.913 -1.966 0.948 1.00 . A A . 14 HYP HD1 1 1
1 191 1 1 14 HYP HD22 H 6.042 -1.934 -2.162 1.00 . A A . 14 HYP HD22 1 1
1 192 1 1 14 HYP HD23 H 5.861 -0.710 -0.921 1.00 . A A . 14 HYP HD23 1 1
1 193 1 1 14 HYP HG H 7.906 -2.777 -1.056 1.00 . A A . 14 HYP HG 1 1
1 194 1 1 14 HYP N N 7.109 -0.147 -2.533 1.00 . A A . 14 HYP N 1 1
1 195 1 1 14 HYP O O 10.126 -0.462 -4.391 1.00 . A A . 14 HYP O 1 1
1 196 1 1 14 HYP OD1 O 7.599 -1.363 0.541 1.00 . A A . 14 HYP OD1 1 1
1 197 1 1 15 ABA C C 9.543 -2.100 -6.495 1.00 . A A . 15 AIB C 1 1
1 198 1 1 15 ABA CA C 8.723 -2.700 -5.352 1.00 . A A . 15 AIB CA 1 1
1 199 1 1 15 ABA H H 7.257 -1.757 -4.211 1.00 . A A . 15 AIB H 1 1
1 200 1 1 15 ABA N N 8.233 -1.701 -4.417 1.00 . A A . 15 AIB N 1 1
1 201 1 1 15 ABA O O 10.678 -2.513 -6.734 1.00 . A A . 15 AIB O 1 1
1 202 1 1 16 PRO C C 10.689 0.308 -8.145 1.00 . A A . 16 PRO C 1 1
1 203 1 1 16 PRO CA C 9.486 -0.594 -8.424 1.00 . A A . 16 PRO CA 1 1
1 204 1 1 16 PRO CB C 8.340 0.137 -9.104 1.00 . A A . 16 PRO CB 1 1
1 205 1 1 16 PRO CD C 7.672 -0.455 -6.815 1.00 . A A . 16 PRO CD 1 1
1 206 1 1 16 PRO CG C 7.312 0.404 -8.018 1.00 . A A . 16 PRO CG 1 1
1 207 1 1 16 PRO HA H 9.832 -1.345 -8.987 1.00 . A A . 16 PRO HA 1 1
1 208 1 1 16 PRO HB2 H 8.684 1.069 -9.554 1.00 . A A . 16 PRO HB2 1 1
1 209 1 1 16 PRO HB3 H 7.914 -0.465 -9.907 1.00 . A A . 16 PRO HB3 1 1
1 210 1 1 16 PRO HD2 H 7.794 0.153 -5.918 1.00 . A A . 16 PRO HD2 1 1
1 211 1 1 16 PRO HD3 H 6.891 -1.184 -6.601 1.00 . A A . 16 PRO HD3 1 1
1 212 1 1 16 PRO HG2 H 7.308 1.459 -7.746 1.00 . A A . 16 PRO HG2 1 1
1 213 1 1 16 PRO HG3 H 6.310 0.162 -8.372 1.00 . A A . 16 PRO HG3 1 1
1 214 1 1 16 PRO N N 8.923 -1.109 -7.189 1.00 . A A . 16 PRO N 1 1
1 215 1 1 16 PRO O O 11.450 0.634 -9.054 1.00 . A A . 16 PRO O 1 1
1 216 1 1 17 PHL C C 13.006 0.625 -5.750 1.00 . A A . 17 PHL C 1 1
1 217 1 1 17 PHL CA C 11.959 1.488 -6.457 1.00 . A A . 17 PHL CA 1 1
1 218 1 1 17 PHL CB C 11.426 2.533 -5.475 1.00 . A A . 17 PHL CB 1 1
1 219 1 1 17 PHL CD1 C 9.135 3.327 -6.100 1.00 . A A . 17 PHL CD1 1 1
1 220 1 1 17 PHL CD2 C 10.973 4.687 -6.669 1.00 . A A . 17 PHL CD2 1 1
1 221 1 1 17 PHL CE1 C 8.253 4.273 -6.685 1.00 . A A . 17 PHL CE1 1 1
1 222 1 1 17 PHL CE2 C 10.091 5.633 -7.254 1.00 . A A . 17 PHL CE2 1 1
1 223 1 1 17 PHL CG C 10.477 3.554 -6.105 1.00 . A A . 17 PHL CG 1 1
1 224 1 1 17 PHL CZ C 8.750 5.408 -7.250 1.00 . A A . 17 PHL CZ 1 1
1 225 1 1 17 PHL H2 H 10.175 0.455 -6.157 1.00 . A A . 17 PHL H2 1 1
1 226 1 1 17 PHL HA H 12.398 1.926 -7.354 1.00 . A A . 17 PHL HA 1 1
1 227 1 1 17 PHL HB2 H 10.908 2.022 -4.663 1.00 . A A . 17 PHL HB2 1 1
1 228 1 1 17 PHL HB3 H 12.269 3.063 -5.031 1.00 . A A . 17 PHL HB3 1 1
1 229 1 1 17 PHL HC1 H 13.312 -0.180 -6.417 1.00 . A A . 17 PHL HC1 1 1
1 230 1 1 17 PHL HC2 H 12.567 0.212 -4.842 1.00 . A A . 17 PHL HC2 1 1
1 231 1 1 17 PHL HD1 H 8.738 2.419 -5.648 1.00 . A A . 17 PHL HD1 1 1
1 232 1 1 17 PHL HD2 H 12.048 4.868 -6.673 1.00 . A A . 17 PHL HD2 1 1
1 233 1 1 17 PHL HE1 H 7.179 4.093 -6.682 1.00 . A A . 17 PHL HE1 1 1
1 234 1 1 17 PHL HE2 H 10.489 6.542 -7.707 1.00 . A A . 17 PHL HE2 1 1
1 235 1 1 17 PHL HO H 14.686 0.887 -4.694 1.00 . A A . 17 PHL HO 1 1
1 236 1 1 17 PHL HZ H 8.073 6.134 -7.698 1.00 . A A . 17 PHL HZ 1 1
1 237 1 1 17 PHL N N 10.824 0.687 -6.882 1.00 . A A . 17 PHL N 1 1
1 238 1 1 17 PHL O O 14.162 1.376 -5.390 1.00 . A A . 17 PHL O 1 1
2 239 1 1 1 ACE C C -9.690 2.766 4.047 1.00 . A A . 1 ACE C 1 1
2 240 1 1 1 ACE CH3 C -11.088 2.413 4.424 1.00 . A A . 1 ACE CH3 1 1
2 241 1 1 1 ACE H1 H -11.096 1.984 5.426 1.00 . A A . 1 ACE H1 1 1
2 242 1 1 1 ACE H2 H -11.706 3.310 4.408 1.00 . A A . 1 ACE H2 1 1
2 243 1 1 1 ACE H3 H -11.483 1.686 3.714 1.00 . A A . 1 ACE H3 1 1
2 244 1 1 1 ACE O O -9.126 2.182 3.123 1.00 . A A . 1 ACE O 1 1
2 245 1 1 2 TRP C C -6.825 3.057 4.888 1.00 . A A . 2 TRP C 1 1
2 246 1 1 2 TRP CA C -7.787 4.185 4.508 1.00 . A A . 2 TRP CA 1 1
2 247 1 1 2 TRP CB C -7.495 5.493 5.246 1.00 . A A . 2 TRP CB 1 1
2 248 1 1 2 TRP CD1 C -8.306 5.440 7.696 1.00 . A A . 2 TRP CD1 1 1
2 249 1 1 2 TRP CD2 C -6.137 5.038 7.483 1.00 . A A . 2 TRP CD2 1 1
2 250 1 1 2 TRP CE2 C -6.438 4.980 8.828 1.00 . A A . 2 TRP CE2 1 1
2 251 1 1 2 TRP CE3 C -4.829 4.824 7.015 1.00 . A A . 2 TRP CE3 1 1
2 252 1 1 2 TRP CG C -7.352 5.335 6.761 1.00 . A A . 2 TRP CG 1 1
2 253 1 1 2 TRP CH2 C -4.173 4.494 9.373 1.00 . A A . 2 TRP CH2 1 1
2 254 1 1 2 TRP CZ2 C -5.483 4.709 9.816 1.00 . A A . 2 TRP CZ2 1 1
2 255 1 1 2 TRP CZ3 C -3.887 4.556 8.014 1.00 . A A . 2 TRP CZ3 1 1
2 256 1 1 2 TRP H H -9.603 4.193 5.527 1.00 . A A . 2 TRP H 1 1
2 257 1 1 2 TRP HA H -7.709 4.398 3.442 1.00 . A A . 2 TRP HA 1 1
2 258 1 1 2 TRP HB2 H -6.577 5.926 4.847 1.00 . A A . 2 TRP HB2 1 1
2 259 1 1 2 TRP HB3 H -8.298 6.202 5.039 1.00 . A A . 2 TRP HB3 1 1
2 260 1 1 2 TRP HD1 H -9.351 5.660 7.482 1.00 . A A . 2 TRP HD1 1 1
2 261 1 1 2 TRP HE1 H -8.361 5.261 9.895 1.00 . A A . 2 TRP HE1 1 1
2 262 1 1 2 TRP HE3 H -4.567 4.864 5.957 1.00 . A A . 2 TRP HE3 1 1
2 263 1 1 2 TRP HH2 H -3.381 4.278 10.090 1.00 . A A . 2 TRP HH2 1 1
2 264 1 1 2 TRP HZ2 H -5.746 4.670 10.873 1.00 . A A . 2 TRP HZ2 1 1
2 265 1 1 2 TRP HZ3 H -2.855 4.383 7.705 1.00 . A A . 2 TRP HZ3 1 1
2 266 1 1 2 TRP N N -9.140 3.729 4.773 1.00 . A A . 2 TRP N 1 1
2 267 1 1 2 TRP NE1 N -7.798 5.232 8.961 1.00 . A A . 2 TRP NE1 1 1
2 268 1 1 2 TRP O O -5.775 2.897 4.268 1.00 . A A . 2 TRP O 1 1
2 269 1 1 3 ILE C C -6.397 0.051 5.503 1.00 . A A . 3 ILE C 1 1
2 270 1 1 3 ILE CA C -6.361 1.261 6.440 1.00 . A A . 3 ILE CA 1 1
2 271 1 1 3 ILE CB C -6.749 0.934 7.883 1.00 . A A . 3 ILE CB 1 1
2 272 1 1 3 ILE CD1 C -4.561 -0.198 8.424 1.00 . A A . 3 ILE CD1 1 1
2 273 1 1 3 ILE CG1 C -5.521 0.935 8.794 1.00 . A A . 3 ILE CG1 1 1
2 274 1 1 3 ILE CG2 C -7.518 -0.387 7.958 1.00 . A A . 3 ILE CG2 1 1
2 275 1 1 3 ILE H H -8.102 2.403 6.364 1.00 . A A . 3 ILE H 1 1
2 276 1 1 3 ILE HA H -5.344 1.651 6.460 1.00 . A A . 3 ILE HA 1 1
2 277 1 1 3 ILE HB H -7.418 1.715 8.242 1.00 . A A . 3 ILE HB 1 1
2 278 1 1 3 ILE HD11 H -5.061 -1.157 8.559 1.00 . A A . 3 ILE HD11 1 1
2 279 1 1 3 ILE HD12 H -4.257 -0.089 7.382 1.00 . A A . 3 ILE HD12 1 1
2 280 1 1 3 ILE HD13 H -3.681 -0.153 9.065 1.00 . A A . 3 ILE HD13 1 1
2 281 1 1 3 ILE HG12 H -5.006 1.893 8.715 1.00 . A A . 3 ILE HG12 1 1
2 282 1 1 3 ILE HG13 H -5.834 0.826 9.833 1.00 . A A . 3 ILE HG13 1 1
2 283 1 1 3 ILE HG21 H -6.903 -1.188 7.545 1.00 . A A . 3 ILE HG21 1 1
2 284 1 1 3 ILE HG22 H -7.755 -0.611 8.998 1.00 . A A . 3 ILE HG22 1 1
2 285 1 1 3 ILE HG23 H -8.440 -0.305 7.384 1.00 . A A . 3 ILE HG23 1 1
2 286 1 1 3 ILE N N -7.218 2.306 5.906 1.00 . A A . 3 ILE N 1 1
2 287 1 1 3 ILE O O -5.461 -0.747 5.478 1.00 . A A . 3 ILE O 1 1
2 288 1 1 4 GLN C C -6.746 -0.598 2.490 1.00 . A A . 4 GLN C 1 1
2 289 1 1 4 GLN CA C -7.582 -1.035 3.695 1.00 . A A . 4 GLN CA 1 1
2 290 1 1 4 GLN CB C -9.039 -1.272 3.295 1.00 . A A . 4 GLN CB 1 1
2 291 1 1 4 GLN CD C -11.197 -2.389 3.969 1.00 . A A . 4 GLN CD 1 1
2 292 1 1 4 GLN CG C -9.682 -2.344 4.176 1.00 . A A . 4 GLN CG 1 1
2 293 1 1 4 GLN H H -8.296 0.531 4.870 1.00 . A A . 4 GLN H 1 1
2 294 1 1 4 GLN HA H -7.173 -1.952 4.116 1.00 . A A . 4 GLN HA 1 1
2 295 1 1 4 GLN HB2 H -9.600 -0.342 3.381 1.00 . A A . 4 GLN HB2 1 1
2 296 1 1 4 GLN HB3 H -9.087 -1.578 2.250 1.00 . A A . 4 GLN HB3 1 1
2 297 1 1 4 GLN HE21 H -10.909 -3.750 2.499 1.00 . A A . 4 GLN HE21 1 1
2 298 1 1 4 GLN HE22 H -12.560 -3.322 2.798 1.00 . A A . 4 GLN HE22 1 1
2 299 1 1 4 GLN HG2 H -9.251 -3.319 3.943 1.00 . A A . 4 GLN HG2 1 1
2 300 1 1 4 GLN HG3 H -9.461 -2.140 5.224 1.00 . A A . 4 GLN HG3 1 1
2 301 1 1 4 GLN N N -7.488 -0.047 4.758 1.00 . A A . 4 GLN N 1 1
2 302 1 1 4 GLN NE2 N -11.588 -3.223 3.009 1.00 . A A . 4 GLN NE2 1 1
2 303 1 1 4 GLN O O -5.929 -1.367 1.986 1.00 . A A . 4 GLN O 1 1
2 304 1 1 4 GLN OE1 O -11.961 -1.712 4.636 1.00 . A A . 4 GLN OE1 1 1
2 305 1 1 5 . C C -4.669 1.038 1.235 1.00 . A A . 5 DIV C 1 1
2 306 1 1 5 . CA C -6.171 1.229 1.013 1.00 . A A . 5 DIV CA 1 1
2 307 1 1 5 . CB1 C -6.532 0.604 -0.335 1.00 . A A . 5 DIV CB1 1 1
2 308 1 1 5 . CB2 C -6.458 2.731 0.989 1.00 . A A . 5 DIV CB2 1 1
2 309 1 1 5 . CG1 C -7.986 0.858 -0.741 1.00 . A A . 5 DIV CG1 1 1
2 310 1 1 5 . H H -7.706 1.222 2.421 1.00 . A A . 5 DIV H 1 1
2 311 1 1 5 . HB11 H -6.384 -0.475 -0.285 1.00 . A A . 5 DIV HB11 1 1
2 312 1 1 5 . HB12 H -5.894 1.021 -1.113 1.00 . A A . 5 DIV HB12 1 1
2 313 1 1 5 . HB21 H -7.536 2.892 0.968 1.00 . A A . 5 DIV HB21 1 1
2 314 1 1 5 . HB22 H -6.039 3.194 1.884 1.00 . A A . 5 DIV HB22 1 1
2 315 1 1 5 . HB23 H -6.004 3.173 0.103 1.00 . A A . 5 DIV HB23 1 1
2 316 1 1 5 . HG11 H -8.240 0.229 -1.593 1.00 . A A . 5 DIV HG11 1 1
2 317 1 1 5 . HG12 H -8.643 0.619 0.095 1.00 . A A . 5 DIV HG12 1 1
2 318 1 1 5 . HG13 H -8.109 1.905 -1.013 1.00 . A A . 5 DIV HG13 1 1
2 319 1 1 5 . N N -6.980 0.635 2.063 1.00 . A A . 5 DIV N 1 1
2 320 1 1 5 . O O -3.949 0.628 0.326 1.00 . A A . 5 DIV O 1 1
2 321 1 1 6 ILE C C -2.255 -0.011 2.828 1.00 . A A . 6 ILE C 1 1
2 322 1 1 6 ILE CA C -2.819 1.410 2.749 1.00 . A A . 6 ILE CA 1 1
2 323 1 1 6 ILE CB C -2.575 2.240 4.010 1.00 . A A . 6 ILE CB 1 1
2 324 1 1 6 ILE CD1 C -0.996 3.844 5.148 1.00 . A A . 6 ILE CD1 1 1
2 325 1 1 6 ILE CG1 C -1.167 2.840 4.007 1.00 . A A . 6 ILE CG1 1 1
2 326 1 1 6 ILE CG2 C -2.842 1.415 5.271 1.00 . A A . 6 ILE CG2 1 1
2 327 1 1 6 ILE H H -4.844 1.548 3.222 1.00 . A A . 6 ILE H 1 1
2 328 1 1 6 ILE HA H -2.336 1.928 1.923 1.00 . A A . 6 ILE HA 1 1
2 329 1 1 6 ILE HB H -3.279 3.072 4.015 1.00 . A A . 6 ILE HB 1 1
2 330 1 1 6 ILE HD11 H -1.820 4.557 5.133 1.00 . A A . 6 ILE HD11 1 1
2 331 1 1 6 ILE HD12 H -0.993 3.314 6.101 1.00 . A A . 6 ILE HD12 1 1
2 332 1 1 6 ILE HD13 H -0.053 4.377 5.026 1.00 . A A . 6 ILE HD13 1 1
2 333 1 1 6 ILE HG12 H -0.428 2.045 4.104 1.00 . A A . 6 ILE HG12 1 1
2 334 1 1 6 ILE HG13 H -0.981 3.334 3.053 1.00 . A A . 6 ILE HG13 1 1
2 335 1 1 6 ILE HG21 H -2.943 2.081 6.127 1.00 . A A . 6 ILE HG21 1 1
2 336 1 1 6 ILE HG22 H -3.762 0.845 5.144 1.00 . A A . 6 ILE HG22 1 1
2 337 1 1 6 ILE HG23 H -2.010 0.730 5.440 1.00 . A A . 6 ILE HG23 1 1
2 338 1 1 6 ILE N N -4.240 1.346 2.451 1.00 . A A . 6 ILE N 1 1
2 339 1 1 6 ILE O O -1.102 -0.244 2.470 1.00 . A A . 6 ILE O 1 1
2 340 1 1 7 THR C C -2.536 -2.929 2.012 1.00 . A A . 7 THR C 1 1
2 341 1 1 7 THR CA C -2.702 -2.316 3.404 1.00 . A A . 7 THR CA 1 1
2 342 1 1 7 THR CB C -3.742 -3.037 4.264 1.00 . A A . 7 THR CB 1 1
2 343 1 1 7 THR CG2 C -3.451 -4.532 4.406 1.00 . A A . 7 THR CG2 1 1
2 344 1 1 7 THR H H -4.024 -0.720 3.606 1.00 . A A . 7 THR H 1 1
2 345 1 1 7 THR HA H -1.729 -2.364 3.893 1.00 . A A . 7 THR HA 1 1
2 346 1 1 7 THR HB H -4.748 -2.871 3.878 1.00 . A A . 7 THR HB 1 1
2 347 1 1 7 THR HG1 H -4.385 -2.143 5.935 1.00 . A A . 7 THR HG1 1 1
2 348 1 1 7 THR HG21 H -2.437 -4.671 4.782 1.00 . A A . 7 THR HG21 1 1
2 349 1 1 7 THR HG22 H -4.160 -4.976 5.105 1.00 . A A . 7 THR HG22 1 1
2 350 1 1 7 THR HG23 H -3.547 -5.015 3.434 1.00 . A A . 7 THR HG23 1 1
2 351 1 1 7 THR N N -3.094 -0.921 3.300 1.00 . A A . 7 THR N 1 1
2 352 1 1 7 THR O O -1.593 -3.681 1.769 1.00 . A A . 7 THR O 1 1
2 353 1 1 7 THR OG1 O -3.530 -2.516 5.573 1.00 . A A . 7 THR OG1 1 1
2 354 1 1 8 ABA C C -2.206 -2.493 -1.010 1.00 . A A . 8 AIB C 1 1
2 355 1 1 8 ABA CA C -3.406 -3.050 -0.242 1.00 . A A . 8 AIB CA 1 1
2 356 1 1 8 ABA H H -4.249 -2.000 1.348 1.00 . A A . 8 AIB H 1 1
2 357 1 1 8 ABA N N -3.466 -2.585 1.133 1.00 . A A . 8 AIB N 1 1
2 358 1 1 8 ABA O O -1.610 -3.190 -1.829 1.00 . A A . 8 AIB O 1 1
2 359 1 1 9 LEU C C 0.505 -0.816 -0.831 1.00 . A A . 9 LEU C 1 1
2 360 1 1 9 LEU CA C -0.860 -0.536 -1.463 1.00 . A A . 9 LEU CA 1 1
2 361 1 1 9 LEU CB C -1.197 0.953 -1.566 1.00 . A A . 9 LEU CB 1 1
2 362 1 1 9 LEU CD1 C -2.906 2.730 -2.097 1.00 . A A . 9 LEU CD1 1 1
2 363 1 1 9 LEU CD2 C -2.173 1.088 -3.887 1.00 . A A . 9 LEU CD2 1 1
2 364 1 1 9 LEU CG C -2.433 1.306 -2.395 1.00 . A A . 9 LEU CG 1 1
2 365 1 1 9 LEU H H -2.319 -0.710 0.013 1.00 . A A . 9 LEU H 1 1
2 366 1 1 9 LEU HA H -0.859 -0.937 -2.477 1.00 . A A . 9 LEU HA 1 1
2 367 1 1 9 LEU HB2 H -1.336 1.344 -0.558 1.00 . A A . 9 LEU HB2 1 1
2 368 1 1 9 LEU HB3 H -0.338 1.471 -1.992 1.00 . A A . 9 LEU HB3 1 1
2 369 1 1 9 LEU HD11 H -3.148 2.818 -1.038 1.00 . A A . 9 LEU HD11 1 1
2 370 1 1 9 LEU HD12 H -2.114 3.435 -2.348 1.00 . A A . 9 LEU HD12 1 1
2 371 1 1 9 LEU HD13 H -3.792 2.951 -2.692 1.00 . A A . 9 LEU HD13 1 1
2 372 1 1 9 LEU HD21 H -3.016 1.471 -4.462 1.00 . A A . 9 LEU HD21 1 1
2 373 1 1 9 LEU HD22 H -1.265 1.615 -4.178 1.00 . A A . 9 LEU HD22 1 1
2 374 1 1 9 LEU HD23 H -2.053 0.022 -4.083 1.00 . A A . 9 LEU HD23 1 1
2 375 1 1 9 LEU HG H -3.241 0.632 -2.107 1.00 . A A . 9 LEU HG 1 1
2 376 1 1 9 LEU N N -1.889 -1.240 -0.717 1.00 . A A . 9 LEU N 1 1
2 377 1 1 9 LEU O O 1.536 -0.688 -1.488 1.00 . A A . 9 LEU O 1 1
2 378 1 1 10 ABA C C 2.815 -2.009 0.513 1.00 . A A . 10 AIB C 1 1
2 379 1 1 10 ABA CA C 1.682 -1.276 1.232 1.00 . A A . 10 AIB CA 1 1
2 380 1 1 10 ABA H H -0.373 -1.435 0.926 1.00 . A A . 10 AIB H 1 1
2 381 1 1 10 ABA N N 0.467 -1.191 0.440 1.00 . A A . 10 AIB N 1 1
2 382 1 1 10 ABA O O 3.914 -1.476 0.369 1.00 . A A . 10 AIB O 1 1
2 383 1 1 11 HYP C C 3.923 -3.696 -1.888 1.00 . A A . 11 HYP C 1 1
2 384 1 1 11 HYP CA C 3.519 -4.135 -0.479 1.00 . A A . 11 HYP CA 1 1
2 385 1 1 11 HYP CB C 2.901 -5.523 -0.443 1.00 . A A . 11 HYP CB 1 1
2 386 1 1 11 HYP CD C 1.170 -3.858 0.075 1.00 . A A . 11 HYP CD 1 1
2 387 1 1 11 HYP CG C 1.402 -5.310 -0.314 1.00 . A A . 11 HYP CG 1 1
2 388 1 1 11 HYP HA H 4.425 -4.079 0.125 1.00 . A A . 11 HYP HA 1 1
2 389 1 1 11 HYP HB2 H 3.140 -6.081 -1.348 1.00 . A A . 11 HYP HB2 1 1
2 390 1 1 11 HYP HB3 H 3.287 -6.101 0.397 1.00 . A A . 11 HYP HB3 1 1
2 391 1 1 11 HYP HD1 H -0.014 -6.015 1.002 1.00 . A A . 11 HYP HD1 1 1
2 392 1 1 11 HYP HD22 H 0.506 -3.360 -0.633 1.00 . A A . 11 HYP HD22 1 1
2 393 1 1 11 HYP HD23 H 0.705 -3.781 1.057 1.00 . A A . 11 HYP HD23 1 1
2 394 1 1 11 HYP HG H 0.869 -5.579 -1.226 1.00 . A A . 11 HYP HG 1 1
2 395 1 1 11 HYP N N 2.500 -3.256 0.069 1.00 . A A . 11 HYP N 1 1
2 396 1 1 11 HYP O O 4.939 -4.147 -2.415 1.00 . A A . 11 HYP O 1 1
2 397 1 1 11 HYP OD1 O 0.971 -6.120 0.859 1.00 . A A . 11 HYP OD1 1 1
2 398 1 1 12 GLN C C 4.269 -1.247 -3.926 1.00 . A A . 12 GLN C 1 1
2 399 1 1 12 GLN CA C 3.290 -2.419 -3.842 1.00 . A A . 12 GLN CA 1 1
2 400 1 1 12 GLN CB C 1.951 -2.063 -4.491 1.00 . A A . 12 GLN CB 1 1
2 401 1 1 12 GLN CD C -0.359 -2.888 -5.077 1.00 . A A . 12 GLN CD 1 1
2 402 1 1 12 GLN CG C 0.996 -3.259 -4.472 1.00 . A A . 12 GLN CG 1 1
2 403 1 1 12 GLN H H 2.331 -2.395 -1.993 1.00 . A A . 12 GLN H 1 1
2 404 1 1 12 GLN HA H 3.711 -3.290 -4.344 1.00 . A A . 12 GLN HA 1 1
2 405 1 1 12 GLN HB2 H 1.499 -1.223 -3.964 1.00 . A A . 12 GLN HB2 1 1
2 406 1 1 12 GLN HB3 H 2.116 -1.743 -5.520 1.00 . A A . 12 GLN HB3 1 1
2 407 1 1 12 GLN HE21 H -1.029 -4.735 -4.588 1.00 . A A . 12 GLN HE21 1 1
2 408 1 1 12 GLN HE22 H -2.183 -3.714 -5.378 1.00 . A A . 12 GLN HE22 1 1
2 409 1 1 12 GLN HG2 H 1.434 -4.087 -5.028 1.00 . A A . 12 GLN HG2 1 1
2 410 1 1 12 GLN HG3 H 0.859 -3.601 -3.446 1.00 . A A . 12 GLN HG3 1 1
2 411 1 1 12 GLN N N 3.106 -2.823 -2.458 1.00 . A A . 12 GLN N 1 1
2 412 1 1 12 GLN NE2 N -1.265 -3.859 -5.009 1.00 . A A . 12 GLN NE2 1 1
2 413 1 1 12 GLN O O 5.013 -1.124 -4.899 1.00 . A A . 12 GLN O 1 1
2 414 1 1 12 GLN OE1 O -0.568 -1.793 -5.573 1.00 . A A . 12 GLN OE1 1 1
2 415 1 1 13 ABA C C 6.391 0.757 -3.320 1.00 . A A . 13 AIB C 1 1
2 416 1 1 13 ABA CA C 4.910 0.872 -2.951 1.00 . A A . 13 AIB CA 1 1
2 417 1 1 13 ABA H H 3.765 -0.608 -2.036 1.00 . A A . 13 AIB H 1 1
2 418 1 1 13 ABA N N 4.238 -0.415 -2.896 1.00 . A A . 13 AIB N 1 1
2 419 1 1 13 ABA O O 6.860 1.430 -4.236 1.00 . A A . 13 AIB O 1 1
2 420 1 1 14 HYP C C 9.038 -0.815 -3.917 1.00 . A A . 14 HYP C 1 1
2 421 1 1 14 HYP CA C 8.555 -0.154 -2.625 1.00 . A A . 14 HYP CA 1 1
2 422 1 1 14 HYP CB C 8.982 -0.909 -1.377 1.00 . A A . 14 HYP CB 1 1
2 423 1 1 14 HYP CD C 6.547 -1.109 -1.645 1.00 . A A . 14 HYP CD 1 1
2 424 1 1 14 HYP CG C 7.752 -1.673 -0.910 1.00 . A A . 14 HYP CG 1 1
2 425 1 1 14 HYP HA H 8.951 0.861 -2.639 1.00 . A A . 14 HYP HA 1 1
2 426 1 1 14 HYP HB2 H 9.805 -1.590 -1.594 1.00 . A A . 14 HYP HB2 1 1
2 427 1 1 14 HYP HB3 H 9.331 -0.223 -0.605 1.00 . A A . 14 HYP HB3 1 1
2 428 1 1 14 HYP HD1 H 6.864 -1.895 0.933 1.00 . A A . 14 HYP HD1 1 1
2 429 1 1 14 HYP HD22 H 6.008 -1.892 -2.179 1.00 . A A . 14 HYP HD22 1 1
2 430 1 1 14 HYP HD23 H 5.841 -0.651 -0.954 1.00 . A A . 14 HYP HD23 1 1
2 431 1 1 14 HYP HG H 7.856 -2.748 -1.057 1.00 . A A . 14 HYP HG 1 1
2 432 1 1 14 HYP N N 7.103 -0.124 -2.567 1.00 . A A . 14 HYP N 1 1
2 433 1 1 14 HYP O O 10.145 -0.545 -4.380 1.00 . A A . 14 HYP O 1 1
2 434 1 1 14 HYP OD1 O 7.564 -1.311 0.523 1.00 . A A . 14 HYP OD1 1 1
2 435 1 1 15 ABA C C 9.541 -2.123 -6.498 1.00 . A A . 15 AIB C 1 1
2 436 1 1 15 ABA CA C 8.635 -2.683 -5.400 1.00 . A A . 15 AIB CA 1 1
2 437 1 1 15 ABA H H 7.201 -1.672 -4.277 1.00 . A A . 15 AIB H 1 1
2 438 1 1 15 ABA N N 8.183 -1.668 -4.464 1.00 . A A . 15 AIB N 1 1
2 439 1 1 15 ABA O O 10.664 -2.591 -6.680 1.00 . A A . 15 AIB O 1 1
2 440 1 1 16 PRO C C 10.883 0.110 -8.245 1.00 . A A . 16 PRO C 1 1
2 441 1 1 16 PRO CA C 9.597 -0.685 -8.480 1.00 . A A . 16 PRO CA 1 1
2 442 1 1 16 PRO CB C 8.515 0.126 -9.173 1.00 . A A . 16 PRO CB 1 1
2 443 1 1 16 PRO CD C 7.826 -0.322 -6.858 1.00 . A A . 16 PRO CD 1 1
2 444 1 1 16 PRO CG C 7.531 0.523 -8.085 1.00 . A A . 16 PRO CG 1 1
2 445 1 1 16 PRO HA H 9.865 -1.484 -9.019 1.00 . A A . 16 PRO HA 1 1
2 446 1 1 16 PRO HB2 H 8.937 1.006 -9.659 1.00 . A A . 16 PRO HB2 1 1
2 447 1 1 16 PRO HB3 H 8.023 -0.461 -9.949 1.00 . A A . 16 PRO HB3 1 1
2 448 1 1 16 PRO HD2 H 8.017 0.301 -5.984 1.00 . A A . 16 PRO HD2 1 1
2 449 1 1 16 PRO HD3 H 6.984 -0.968 -6.610 1.00 . A A . 16 PRO HD3 1 1
2 450 1 1 16 PRO HG2 H 7.629 1.583 -7.851 1.00 . A A . 16 PRO HG2 1 1
2 451 1 1 16 PRO HG3 H 6.505 0.365 -8.421 1.00 . A A . 16 PRO HG3 1 1
2 452 1 1 16 PRO N N 9.005 -1.103 -7.220 1.00 . A A . 16 PRO N 1 1
2 453 1 1 16 PRO O O 11.652 0.342 -9.176 1.00 . A A . 16 PRO O 1 1
2 454 1 1 17 PHL C C 13.310 0.397 -5.974 1.00 . A A . 17 PHL C 1 1
2 455 1 1 17 PHL CA C 12.247 1.282 -6.629 1.00 . A A . 17 PHL CA 1 1
2 456 1 1 17 PHL CB C 11.788 2.337 -5.620 1.00 . A A . 17 PHL CB 1 1
2 457 1 1 17 PHL CD1 C 10.834 4.109 -7.110 1.00 . A A . 17 PHL CD1 1 1
2 458 1 1 17 PHL CD2 C 9.397 3.079 -5.555 1.00 . A A . 17 PHL CD2 1 1
2 459 1 1 17 PHL CE1 C 9.760 4.917 -7.568 1.00 . A A . 17 PHL CE1 1 1
2 460 1 1 17 PHL CE2 C 8.322 3.886 -6.012 1.00 . A A . 17 PHL CE2 1 1
2 461 1 1 17 PHL CG C 10.630 3.207 -6.113 1.00 . A A . 17 PHL CG 1 1
2 462 1 1 17 PHL CZ C 8.527 4.789 -7.009 1.00 . A A . 17 PHL CZ 1 1
2 463 1 1 17 PHL H2 H 10.449 0.305 -6.242 1.00 . A A . 17 PHL H2 1 1
2 464 1 1 17 PHL HA H 12.651 1.712 -7.545 1.00 . A A . 17 PHL HA 1 1
2 465 1 1 17 PHL HB2 H 11.487 1.837 -4.699 1.00 . A A . 17 PHL HB2 1 1
2 466 1 1 17 PHL HB3 H 12.633 2.981 -5.372 1.00 . A A . 17 PHL HB3 1 1
2 467 1 1 17 PHL HC1 H 13.620 -0.369 -6.686 1.00 . A A . 17 PHL HC1 1 1
2 468 1 1 17 PHL HC2 H 12.884 -0.069 -5.085 1.00 . A A . 17 PHL HC2 1 1
2 469 1 1 17 PHL HD1 H 11.823 4.213 -7.558 1.00 . A A . 17 PHL HD1 1 1
2 470 1 1 17 PHL HD2 H 9.234 2.355 -4.755 1.00 . A A . 17 PHL HD2 1 1
2 471 1 1 17 PHL HE1 H 9.924 5.640 -8.367 1.00 . A A . 17 PHL HE1 1 1
2 472 1 1 17 PHL HE2 H 7.334 3.783 -5.564 1.00 . A A . 17 PHL HE2 1 1
2 473 1 1 17 PHL HO H 15.025 0.599 -4.966 1.00 . A A . 17 PHL HO 1 1
2 474 1 1 17 PHL HZ H 7.701 5.408 -7.360 1.00 . A A . 17 PHL HZ 1 1
2 475 1 1 17 PHL N N 11.075 0.506 -6.996 1.00 . A A . 17 PHL N 1 1
2 476 1 1 17 PHL O O 14.459 1.142 -5.585 1.00 . A A . 17 PHL O 1 1
3 477 1 1 1 ACE C C -9.922 2.495 4.380 1.00 . A A . 1 ACE C 1 1
3 478 1 1 1 ACE CH3 C -11.253 1.987 4.821 1.00 . A A . 1 ACE CH3 1 1
3 479 1 1 1 ACE H1 H -11.245 1.834 5.899 1.00 . A A . 1 ACE H1 1 1
3 480 1 1 1 ACE H2 H -12.023 2.714 4.562 1.00 . A A . 1 ACE H2 1 1
3 481 1 1 1 ACE H3 H -11.464 1.041 4.320 1.00 . A A . 1 ACE H3 1 1
3 482 1 1 1 ACE O O -9.294 1.916 3.495 1.00 . A A . 1 ACE O 1 1
3 483 1 1 2 TRP C C -7.136 3.115 4.999 1.00 . A A . 2 TRP C 1 1
3 484 1 1 2 TRP CA C -8.207 4.169 4.709 1.00 . A A . 2 TRP CA 1 1
3 485 1 1 2 TRP CB C -7.997 5.466 5.491 1.00 . A A . 2 TRP CB 1 1
3 486 1 1 2 TRP CD1 C -6.681 7.143 4.036 1.00 . A A . 2 TRP CD1 1 1
3 487 1 1 2 TRP CD2 C -5.459 6.236 5.647 1.00 . A A . 2 TRP CD2 1 1
3 488 1 1 2 TRP CE2 C -4.644 7.104 4.949 1.00 . A A . 2 TRP CE2 1 1
3 489 1 1 2 TRP CE3 C -4.977 5.497 6.741 1.00 . A A . 2 TRP CE3 1 1
3 490 1 1 2 TRP CG C -6.773 6.269 5.048 1.00 . A A . 2 TRP CG 1 1
3 491 1 1 2 TRP CH2 C -2.796 6.590 6.356 1.00 . A A . 2 TRP CH2 1 1
3 492 1 1 2 TRP CZ2 C -3.298 7.316 5.269 1.00 . A A . 2 TRP CZ2 1 1
3 493 1 1 2 TRP CZ3 C -3.629 5.719 7.048 1.00 . A A . 2 TRP CZ3 1 1
3 494 1 1 2 TRP H H -10.031 4.062 5.710 1.00 . A A . 2 TRP H 1 1
3 495 1 1 2 TRP HA H -8.196 4.430 3.651 1.00 . A A . 2 TRP HA 1 1
3 496 1 1 2 TRP HB2 H -8.885 6.089 5.386 1.00 . A A . 2 TRP HB2 1 1
3 497 1 1 2 TRP HB3 H -7.899 5.228 6.551 1.00 . A A . 2 TRP HB3 1 1
3 498 1 1 2 TRP HD1 H -7.506 7.402 3.372 1.00 . A A . 2 TRP HD1 1 1
3 499 1 1 2 TRP HE1 H -5.070 8.404 3.205 1.00 . A A . 2 TRP HE1 1 1
3 500 1 1 2 TRP HE3 H -5.600 4.805 7.307 1.00 . A A . 2 TRP HE3 1 1
3 501 1 1 2 TRP HH2 H -1.755 6.707 6.659 1.00 . A A . 2 TRP HH2 1 1
3 502 1 1 2 TRP HZ2 H -2.674 8.007 4.703 1.00 . A A . 2 TRP HZ2 1 1
3 503 1 1 2 TRP HZ3 H -3.204 5.170 7.888 1.00 . A A . 2 TRP HZ3 1 1
3 504 1 1 2 TRP N N -9.503 3.584 5.009 1.00 . A A . 2 TRP N 1 1
3 505 1 1 2 TRP NE1 N -5.411 7.673 3.939 1.00 . A A . 2 TRP NE1 1 1
3 506 1 1 2 TRP O O -6.192 2.956 4.225 1.00 . A A . 2 TRP O 1 1
3 507 1 1 3 ILE C C -6.221 0.321 5.569 1.00 . A A . 3 ILE C 1 1
3 508 1 1 3 ILE CA C -6.320 1.470 6.573 1.00 . A A . 3 ILE CA 1 1
3 509 1 1 3 ILE CB C -6.633 1.015 8.001 1.00 . A A . 3 ILE CB 1 1
3 510 1 1 3 ILE CD1 C -4.317 0.037 8.195 1.00 . A A . 3 ILE CD1 1 1
3 511 1 1 3 ILE CG1 C -5.359 0.948 8.846 1.00 . A A . 3 ILE CG1 1 1
3 512 1 1 3 ILE CG2 C -7.390 -0.313 7.999 1.00 . A A . 3 ILE CG2 1 1
3 513 1 1 3 ILE H H -8.122 2.509 6.700 1.00 . A A . 3 ILE H 1 1
3 514 1 1 3 ILE HA H -5.361 1.987 6.603 1.00 . A A . 3 ILE HA 1 1
3 515 1 1 3 ILE HB H -7.286 1.757 8.461 1.00 . A A . 3 ILE HB 1 1
3 516 1 1 3 ILE HD11 H -3.924 0.515 7.298 1.00 . A A . 3 ILE HD11 1 1
3 517 1 1 3 ILE HD12 H -3.503 -0.144 8.897 1.00 . A A . 3 ILE HD12 1 1
3 518 1 1 3 ILE HD13 H -4.781 -0.912 7.927 1.00 . A A . 3 ILE HD13 1 1
3 519 1 1 3 ILE HG12 H -4.947 1.949 8.967 1.00 . A A . 3 ILE HG12 1 1
3 520 1 1 3 ILE HG13 H -5.598 0.580 9.843 1.00 . A A . 3 ILE HG13 1 1
3 521 1 1 3 ILE HG21 H -8.340 -0.190 7.480 1.00 . A A . 3 ILE HG21 1 1
3 522 1 1 3 ILE HG22 H -6.794 -1.071 7.489 1.00 . A A . 3 ILE HG22 1 1
3 523 1 1 3 ILE HG23 H -7.575 -0.628 9.026 1.00 . A A . 3 ILE HG23 1 1
3 524 1 1 3 ILE N N -7.315 2.425 6.115 1.00 . A A . 3 ILE N 1 1
3 525 1 1 3 ILE O O -5.144 -0.235 5.359 1.00 . A A . 3 ILE O 1 1
3 526 1 1 4 GLN C C -6.753 -0.651 2.693 1.00 . A A . 4 GLN C 1 1
3 527 1 1 4 GLN CA C -7.418 -1.081 4.003 1.00 . A A . 4 GLN CA 1 1
3 528 1 1 4 GLN CB C -8.861 -1.530 3.764 1.00 . A A . 4 GLN CB 1 1
3 529 1 1 4 GLN CD C -10.808 -2.818 4.716 1.00 . A A . 4 GLN CD 1 1
3 530 1 1 4 GLN CG C -9.312 -2.521 4.838 1.00 . A A . 4 GLN CG 1 1
3 531 1 1 4 GLN H H -8.232 0.456 5.148 1.00 . A A . 4 GLN H 1 1
3 532 1 1 4 GLN HA H -6.857 -1.903 4.449 1.00 . A A . 4 GLN HA 1 1
3 533 1 1 4 GLN HB2 H -9.519 -0.660 3.765 1.00 . A A . 4 GLN HB2 1 1
3 534 1 1 4 GLN HB3 H -8.944 -1.991 2.780 1.00 . A A . 4 GLN HB3 1 1
3 535 1 1 4 GLN HE21 H -11.173 -1.232 5.919 1.00 . A A . 4 GLN HE21 1 1
3 536 1 1 4 GLN HE22 H -12.578 -2.088 5.375 1.00 . A A . 4 GLN HE22 1 1
3 537 1 1 4 GLN HG2 H -8.745 -3.447 4.744 1.00 . A A . 4 GLN HG2 1 1
3 538 1 1 4 GLN HG3 H -9.098 -2.114 5.826 1.00 . A A . 4 GLN HG3 1 1
3 539 1 1 4 GLN N N -7.360 -0.004 4.975 1.00 . A A . 4 GLN N 1 1
3 540 1 1 4 GLN NE2 N -11.584 -1.976 5.393 1.00 . A A . 4 GLN NE2 1 1
3 541 1 1 4 GLN O O -5.930 -1.380 2.142 1.00 . A A . 4 GLN O 1 1
3 542 1 1 4 GLN OE1 O -11.230 -3.749 4.050 1.00 . A A . 4 GLN OE1 1 1
3 543 1 1 5 . C C -4.955 1.095 1.175 1.00 . A A . 5 DIV C 1 1
3 544 1 1 5 . CA C -6.481 1.134 1.084 1.00 . A A . 5 DIV CA 1 1
3 545 1 1 5 . CB1 C -6.898 0.399 -0.191 1.00 . A A . 5 DIV CB1 1 1
3 546 1 1 5 . CB2 C -6.914 2.599 1.010 1.00 . A A . 5 DIV CB2 1 1
3 547 1 1 5 . CG1 C -8.406 0.455 -0.447 1.00 . A A . 5 DIV CG1 1 1
3 548 1 1 5 . H H -7.873 1.075 2.633 1.00 . A A . 5 DIV H 1 1
3 549 1 1 5 . HB11 H -6.613 -0.650 -0.113 1.00 . A A . 5 DIV HB11 1 1
3 550 1 1 5 . HB12 H -6.399 0.848 -1.048 1.00 . A A . 5 DIV HB12 1 1
3 551 1 1 5 . HB21 H -6.577 3.028 0.066 1.00 . A A . 5 DIV HB21 1 1
3 552 1 1 5 . HB22 H -8.001 2.660 1.068 1.00 . A A . 5 DIV HB22 1 1
3 553 1 1 5 . HB23 H -6.473 3.151 1.840 1.00 . A A . 5 DIV HB23 1 1
3 554 1 1 5 . HG11 H -8.665 -0.244 -1.242 1.00 . A A . 5 DIV HG11 1 1
3 555 1 1 5 . HG12 H -8.941 0.183 0.463 1.00 . A A . 5 DIV HG12 1 1
3 556 1 1 5 . HG13 H -8.687 1.465 -0.745 1.00 . A A . 5 DIV HG13 1 1
3 557 1 1 5 . N N -7.135 0.532 2.234 1.00 . A A . 5 DIV N 1 1
3 558 1 1 5 . O O -4.282 0.697 0.226 1.00 . A A . 5 DIV O 1 1
3 559 1 1 6 ILE C C -2.438 0.171 2.571 1.00 . A A . 6 ILE C 1 1
3 560 1 1 6 ILE CA C -3.017 1.587 2.535 1.00 . A A . 6 ILE CA 1 1
3 561 1 1 6 ILE CB C -2.697 2.414 3.782 1.00 . A A . 6 ILE CB 1 1
3 562 1 1 6 ILE CD1 C -3.639 4.553 2.834 1.00 . A A . 6 ILE CD1 1 1
3 563 1 1 6 ILE CG1 C -2.399 3.869 3.414 1.00 . A A . 6 ILE CG1 1 1
3 564 1 1 6 ILE CG2 C -1.557 1.779 4.583 1.00 . A A . 6 ILE CG2 1 1
3 565 1 1 6 ILE H H -5.008 1.801 3.108 1.00 . A A . 6 ILE H 1 1
3 566 1 1 6 ILE HA H -2.589 2.113 1.682 1.00 . A A . 6 ILE HA 1 1
3 567 1 1 6 ILE HB H -3.577 2.418 4.424 1.00 . A A . 6 ILE HB 1 1
3 568 1 1 6 ILE HD11 H -4.451 4.506 3.559 1.00 . A A . 6 ILE HD11 1 1
3 569 1 1 6 ILE HD12 H -3.408 5.594 2.612 1.00 . A A . 6 ILE HD12 1 1
3 570 1 1 6 ILE HD13 H -3.939 4.043 1.919 1.00 . A A . 6 ILE HD13 1 1
3 571 1 1 6 ILE HG12 H -2.061 4.409 4.298 1.00 . A A . 6 ILE HG12 1 1
3 572 1 1 6 ILE HG13 H -1.586 3.905 2.689 1.00 . A A . 6 ILE HG13 1 1
3 573 1 1 6 ILE HG21 H -1.269 2.447 5.395 1.00 . A A . 6 ILE HG21 1 1
3 574 1 1 6 ILE HG22 H -1.890 0.827 4.996 1.00 . A A . 6 ILE HG22 1 1
3 575 1 1 6 ILE HG23 H -0.702 1.614 3.928 1.00 . A A . 6 ILE HG23 1 1
3 576 1 1 6 ILE N N -4.452 1.514 2.327 1.00 . A A . 6 ILE N 1 1
3 577 1 1 6 ILE O O -1.407 -0.098 1.958 1.00 . A A . 6 ILE O 1 1
3 578 1 1 7 THR C C -2.524 -2.743 2.092 1.00 . A A . 7 THR C 1 1
3 579 1 1 7 THR CA C -2.674 -2.068 3.456 1.00 . A A . 7 THR CA 1 1
3 580 1 1 7 THR CB C -3.654 -2.786 4.385 1.00 . A A . 7 THR CB 1 1
3 581 1 1 7 THR CG2 C -3.342 -4.277 4.527 1.00 . A A . 7 THR CG2 1 1
3 582 1 1 7 THR H H -3.984 -0.478 3.767 1.00 . A A . 7 THR H 1 1
3 583 1 1 7 THR HA H -1.684 -2.049 3.914 1.00 . A A . 7 THR HA 1 1
3 584 1 1 7 THR HB H -4.683 -2.633 4.059 1.00 . A A . 7 THR HB 1 1
3 585 1 1 7 THR HG1 H -3.725 -1.317 5.742 1.00 . A A . 7 THR HG1 1 1
3 586 1 1 7 THR HG21 H -3.976 -4.710 5.300 1.00 . A A . 7 THR HG21 1 1
3 587 1 1 7 THR HG22 H -3.532 -4.780 3.578 1.00 . A A . 7 THR HG22 1 1
3 588 1 1 7 THR HG23 H -2.295 -4.404 4.803 1.00 . A A . 7 THR HG23 1 1
3 589 1 1 7 THR N N -3.130 -0.698 3.296 1.00 . A A . 7 THR N 1 1
3 590 1 1 7 THR O O -1.551 -3.456 1.851 1.00 . A A . 7 THR O 1 1
3 591 1 1 7 THR OG1 O -3.369 -2.249 5.675 1.00 . A A . 7 THR OG1 1 1
3 592 1 1 8 ABA C C -2.330 -2.556 -0.959 1.00 . A A . 8 AIB C 1 1
3 593 1 1 8 ABA CA C -3.489 -3.067 -0.103 1.00 . A A . 8 AIB CA 1 1
3 594 1 1 8 ABA H H -4.293 -1.918 1.438 1.00 . A A . 8 AIB H 1 1
3 595 1 1 8 ABA N N -3.502 -2.496 1.234 1.00 . A A . 8 AIB N 1 1
3 596 1 1 8 ABA O O -1.771 -3.300 -1.763 1.00 . A A . 8 AIB O 1 1
3 597 1 1 9 LEU C C 0.390 -0.903 -0.989 1.00 . A A . 9 LEU C 1 1
3 598 1 1 9 LEU CA C -0.995 -0.635 -1.578 1.00 . A A . 9 LEU CA 1 1
3 599 1 1 9 LEU CB C -1.318 0.852 -1.740 1.00 . A A . 9 LEU CB 1 1
3 600 1 1 9 LEU CD1 C -3.101 2.582 -2.170 1.00 . A A . 9 LEU CD1 1 1
3 601 1 1 9 LEU CD2 C -2.389 0.998 -4.019 1.00 . A A . 9 LEU CD2 1 1
3 602 1 1 9 LEU CG C -2.597 1.180 -2.514 1.00 . A A . 9 LEU CG 1 1
3 603 1 1 9 LEU H H -2.408 -0.711 -0.049 1.00 . A A . 9 LEU H 1 1
3 604 1 1 9 LEU HA H -1.042 -1.085 -2.570 1.00 . A A . 9 LEU HA 1 1
3 605 1 1 9 LEU HB2 H -1.394 1.297 -0.748 1.00 . A A . 9 LEU HB2 1 1
3 606 1 1 9 LEU HB3 H -0.480 1.332 -2.243 1.00 . A A . 9 LEU HB3 1 1
3 607 1 1 9 LEU HD11 H -4.007 2.793 -2.740 1.00 . A A . 9 LEU HD11 1 1
3 608 1 1 9 LEU HD12 H -3.322 2.637 -1.104 1.00 . A A . 9 LEU HD12 1 1
3 609 1 1 9 LEU HD13 H -2.335 3.315 -2.421 1.00 . A A . 9 LEU HD13 1 1
3 610 1 1 9 LEU HD21 H -1.977 0.008 -4.212 1.00 . A A . 9 LEU HD21 1 1
3 611 1 1 9 LEU HD22 H -3.345 1.100 -4.533 1.00 . A A . 9 LEU HD22 1 1
3 612 1 1 9 LEU HD23 H -1.698 1.757 -4.384 1.00 . A A . 9 LEU HD23 1 1
3 613 1 1 9 LEU HG H -3.371 0.475 -2.209 1.00 . A A . 9 LEU HG 1 1
3 614 1 1 9 LEU N N -2.001 -1.288 -0.757 1.00 . A A . 9 LEU N 1 1
3 615 1 1 9 LEU O O 1.399 -0.769 -1.679 1.00 . A A . 9 LEU O 1 1
3 616 1 1 10 ABA C C 2.765 -2.032 0.332 1.00 . A A . 10 AIB C 1 1
3 617 1 1 10 ABA CA C 1.629 -1.302 1.050 1.00 . A A . 10 AIB CA 1 1
3 618 1 1 10 ABA H H -0.422 -1.555 0.787 1.00 . A A . 10 AIB H 1 1
3 619 1 1 10 ABA N N 0.396 -1.275 0.283 1.00 . A A . 10 AIB N 1 1
3 620 1 1 10 ABA O O 3.860 -1.492 0.181 1.00 . A A . 10 AIB O 1 1
3 621 1 1 11 HYP C C 3.955 -3.770 -1.992 1.00 . A A . 11 HYP C 1 1
3 622 1 1 11 HYP CA C 3.490 -4.180 -0.594 1.00 . A A . 11 HYP CA 1 1
3 623 1 1 11 HYP CB C 2.859 -5.563 -0.561 1.00 . A A . 11 HYP CB 1 1
3 624 1 1 11 HYP CD C 1.122 -3.875 -0.144 1.00 . A A . 11 HYP CD 1 1
3 625 1 1 11 HYP CG C 1.358 -5.334 -0.497 1.00 . A A . 11 HYP CG 1 1
3 626 1 1 11 HYP HA H 4.370 -4.123 0.045 1.00 . A A . 11 HYP HA 1 1
3 627 1 1 11 HYP HB2 H 3.129 -6.137 -1.446 1.00 . A A . 11 HYP HB2 1 1
3 628 1 1 11 HYP HB3 H 3.204 -6.128 0.304 1.00 . A A . 11 HYP HB3 1 1
3 629 1 1 11 HYP HD1 H 0.845 -7.093 0.439 1.00 . A A . 11 HYP HD1 1 1
3 630 1 1 11 HYP HD22 H 0.494 -3.383 -0.886 1.00 . A A . 11 HYP HD22 1 1
3 631 1 1 11 HYP HD23 H 0.618 -3.776 0.818 1.00 . A A . 11 HYP HD23 1 1
3 632 1 1 11 HYP HG H 0.859 -5.616 -1.425 1.00 . A A . 11 HYP HG 1 1
3 633 1 1 11 HYP N N 2.457 -3.283 -0.104 1.00 . A A . 11 HYP N 1 1
3 634 1 1 11 HYP O O 4.981 -4.248 -2.476 1.00 . A A . 11 HYP O 1 1
3 635 1 1 11 HYP OD1 O 0.870 -6.121 0.670 1.00 . A A . 11 HYP OD1 1 1
3 636 1 1 12 GLN C C 4.419 -1.319 -4.019 1.00 . A A . 12 GLN C 1 1
3 637 1 1 12 GLN CA C 3.435 -2.491 -3.979 1.00 . A A . 12 GLN CA 1 1
3 638 1 1 12 GLN CB C 2.132 -2.138 -4.700 1.00 . A A . 12 GLN CB 1 1
3 639 1 1 12 GLN CD C -0.108 -2.992 -5.480 1.00 . A A . 12 GLN CD 1 1
3 640 1 1 12 GLN CG C 1.182 -3.337 -4.733 1.00 . A A . 12 GLN CG 1 1
3 641 1 1 12 GLN H H 2.389 -2.447 -2.178 1.00 . A A . 12 GLN H 1 1
3 642 1 1 12 GLN HA H 3.880 -3.364 -4.454 1.00 . A A . 12 GLN HA 1 1
3 643 1 1 12 GLN HB2 H 1.649 -1.300 -4.195 1.00 . A A . 12 GLN HB2 1 1
3 644 1 1 12 GLN HB3 H 2.352 -1.814 -5.717 1.00 . A A . 12 GLN HB3 1 1
3 645 1 1 12 GLN HE21 H 0.786 -3.577 -7.200 1.00 . A A . 12 GLN HE21 1 1
3 646 1 1 12 GLN HE22 H -0.845 -3.021 -7.366 1.00 . A A . 12 GLN HE22 1 1
3 647 1 1 12 GLN HG2 H 1.673 -4.181 -5.217 1.00 . A A . 12 GLN HG2 1 1
3 648 1 1 12 GLN HG3 H 0.945 -3.645 -3.715 1.00 . A A . 12 GLN HG3 1 1
3 649 1 1 12 GLN N N 3.179 -2.887 -2.604 1.00 . A A . 12 GLN N 1 1
3 650 1 1 12 GLN NE2 N -0.050 -3.215 -6.790 1.00 . A A . 12 GLN NE2 1 1
3 651 1 1 12 GLN O O 5.173 -1.170 -4.979 1.00 . A A . 12 GLN O 1 1
3 652 1 1 12 GLN OE1 O -1.091 -2.553 -4.906 1.00 . A A . 12 GLN OE1 1 1
3 653 1 1 13 ABA C C 6.540 0.656 -3.339 1.00 . A A . 13 AIB C 1 1
3 654 1 1 13 ABA CA C 5.058 0.766 -2.974 1.00 . A A . 13 AIB CA 1 1
3 655 1 1 13 ABA H H 3.895 -0.734 -2.117 1.00 . A A . 13 AIB H 1 1
3 656 1 1 13 ABA N N 4.379 -0.518 -2.965 1.00 . A A . 13 AIB N 1 1
3 657 1 1 13 ABA O O 7.018 1.360 -4.226 1.00 . A A . 13 AIB O 1 1
3 658 1 1 14 HYP C C 9.194 -0.890 -3.970 1.00 . A A . 14 HYP C 1 1
3 659 1 1 14 HYP CA C 8.694 -0.287 -2.657 1.00 . A A . 14 HYP CA 1 1
3 660 1 1 14 HYP CB C 9.106 -1.094 -1.436 1.00 . A A . 14 HYP CB 1 1
3 661 1 1 14 HYP CD C 6.675 -1.281 -1.744 1.00 . A A . 14 HYP CD 1 1
3 662 1 1 14 HYP CG C 7.871 -1.876 -1.018 1.00 . A A . 14 HYP CG 1 1
3 663 1 1 14 HYP HA H 9.091 0.728 -2.622 1.00 . A A . 14 HYP HA 1 1
3 664 1 1 14 HYP HB2 H 9.932 -1.765 -1.672 1.00 . A A . 14 HYP HB2 1 1
3 665 1 1 14 HYP HB3 H 9.445 -0.441 -0.632 1.00 . A A . 14 HYP HB3 1 1
3 666 1 1 14 HYP HD1 H 8.454 -1.885 0.955 1.00 . A A . 14 HYP HD1 1 1
3 667 1 1 14 HYP HD22 H 6.143 -2.039 -2.318 1.00 . A A . 14 HYP HD22 1 1
3 668 1 1 14 HYP HD23 H 5.959 -0.852 -1.042 1.00 . A A . 14 HYP HD23 1 1
3 669 1 1 14 HYP HG H 7.977 -2.944 -1.210 1.00 . A A . 14 HYP HG 1 1
3 670 1 1 14 HYP N N 7.242 -0.257 -2.615 1.00 . A A . 14 HYP N 1 1
3 671 1 1 14 HYP O O 10.305 -0.598 -4.409 1.00 . A A . 14 HYP O 1 1
3 672 1 1 14 HYP OD1 O 7.664 -1.576 0.426 1.00 . A A . 14 HYP OD1 1 1
3 673 1 1 15 ABA C C 9.736 -2.092 -6.592 1.00 . A A . 15 AIB C 1 1
3 674 1 1 15 ABA CA C 8.815 -2.698 -5.533 1.00 . A A . 15 AIB CA 1 1
3 675 1 1 15 ABA H H 7.365 -1.738 -4.385 1.00 . A A . 15 AIB H 1 1
3 676 1 1 15 ABA N N 8.349 -1.722 -4.560 1.00 . A A . 15 AIB N 1 1
3 677 1 1 15 ABA O O 10.861 -2.551 -6.779 1.00 . A A . 15 AIB O 1 1
3 678 1 1 16 PRO C C 11.102 0.219 -8.217 1.00 . A A . 16 PRO C 1 1
3 679 1 1 16 PRO CA C 9.821 -0.568 -8.508 1.00 . A A . 16 PRO CA 1 1
3 680 1 1 16 PRO CB C 8.749 0.271 -9.182 1.00 . A A . 16 PRO CB 1 1
3 681 1 1 16 PRO CD C 8.023 -0.278 -6.900 1.00 . A A . 16 PRO CD 1 1
3 682 1 1 16 PRO CG C 7.746 0.620 -8.094 1.00 . A A . 16 PRO CG 1 1
3 683 1 1 16 PRO HA H 10.099 -1.342 -9.078 1.00 . A A . 16 PRO HA 1 1
3 684 1 1 16 PRO HB2 H 9.177 1.173 -9.622 1.00 . A A . 16 PRO HB2 1 1
3 685 1 1 16 PRO HB3 H 8.271 -0.282 -9.992 1.00 . A A . 16 PRO HB3 1 1
3 686 1 1 16 PRO HD2 H 8.199 0.306 -5.997 1.00 . A A . 16 PRO HD2 1 1
3 687 1 1 16 PRO HD3 H 7.178 -0.936 -6.696 1.00 . A A . 16 PRO HD3 1 1
3 688 1 1 16 PRO HG2 H 7.838 1.669 -7.813 1.00 . A A . 16 PRO HG2 1 1
3 689 1 1 16 PRO HG3 H 6.727 0.474 -8.454 1.00 . A A . 16 PRO HG3 1 1
3 690 1 1 16 PRO N N 9.209 -1.041 -7.277 1.00 . A A . 16 PRO N 1 1
3 691 1 1 16 PRO O O 11.871 0.517 -9.128 1.00 . A A . 16 PRO O 1 1
3 692 1 1 17 PHL C C 13.522 0.305 -5.939 1.00 . A A . 17 PHL C 1 1
3 693 1 1 17 PHL CA C 12.473 1.257 -6.517 1.00 . A A . 17 PHL CA 1 1
3 694 1 1 17 PHL CB C 12.031 2.233 -5.426 1.00 . A A . 17 PHL CB 1 1
3 695 1 1 17 PHL CD1 C 11.227 4.266 -6.649 1.00 . A A . 17 PHL CD1 1 1
3 696 1 1 17 PHL CD2 C 9.642 2.985 -5.468 1.00 . A A . 17 PHL CD2 1 1
3 697 1 1 17 PHL CE1 C 10.202 5.160 -7.055 1.00 . A A . 17 PHL CE1 1 1
3 698 1 1 17 PHL CE2 C 8.617 3.879 -5.873 1.00 . A A . 17 PHL CE2 1 1
3 699 1 1 17 PHL CG C 10.925 3.197 -5.864 1.00 . A A . 17 PHL CG 1 1
3 700 1 1 17 PHL CZ C 8.918 4.947 -6.659 1.00 . A A . 17 PHL CZ 1 1
3 701 1 1 17 PHL H2 H 10.651 0.296 -6.210 1.00 . A A . 17 PHL H2 1 1
3 702 1 1 17 PHL HA H 12.882 1.753 -7.398 1.00 . A A . 17 PHL HA 1 1
3 703 1 1 17 PHL HB2 H 11.683 1.665 -4.563 1.00 . A A . 17 PHL HB2 1 1
3 704 1 1 17 PHL HB3 H 12.895 2.812 -5.099 1.00 . A A . 17 PHL HB3 1 1
3 705 1 1 17 PHL HC1 H 13.778 -0.440 -6.691 1.00 . A A . 17 PHL HC1 1 1
3 706 1 1 17 PHL HC2 H 13.110 -0.183 -5.056 1.00 . A A . 17 PHL HC2 1 1
3 707 1 1 17 PHL HD1 H 12.256 4.436 -6.967 1.00 . A A . 17 PHL HD1 1 1
3 708 1 1 17 PHL HD2 H 9.401 2.128 -4.838 1.00 . A A . 17 PHL HD2 1 1
3 709 1 1 17 PHL HE1 H 10.443 6.016 -7.684 1.00 . A A . 17 PHL HE1 1 1
3 710 1 1 17 PHL HE2 H 7.588 3.709 -5.556 1.00 . A A . 17 PHL HE2 1 1
3 711 1 1 17 PHL HO H 15.512 0.423 -5.760 1.00 . A A . 17 PHL HO 1 1
3 712 1 1 17 PHL HZ H 8.130 5.634 -6.971 1.00 . A A . 17 PHL HZ 1 1
3 713 1 1 17 PHL N N 11.289 0.530 -6.943 1.00 . A A . 17 PHL N 1 1
3 714 1 1 17 PHL O O 14.713 0.989 -5.561 1.00 . A A . 17 PHL O 1 1
4 715 1 1 1 ACE C C -9.804 2.622 4.215 1.00 . A A . 1 ACE C 1 1
4 716 1 1 1 ACE CH3 C -11.097 2.027 4.657 1.00 . A A . 1 ACE CH3 1 1
4 717 1 1 1 ACE H1 H -11.321 1.150 4.049 1.00 . A A . 1 ACE H1 1 1
4 718 1 1 1 ACE H2 H -11.022 1.734 5.704 1.00 . A A . 1 ACE H2 1 1
4 719 1 1 1 ACE H3 H -11.894 2.762 4.541 1.00 . A A . 1 ACE H3 1 1
4 720 1 1 1 ACE O O -9.220 2.182 3.226 1.00 . A A . 1 ACE O 1 1
4 721 1 1 2 TRP C C -6.975 3.310 4.972 1.00 . A A . 2 TRP C 1 1
4 722 1 1 2 TRP CA C -8.109 4.288 4.660 1.00 . A A . 2 TRP CA 1 1
4 723 1 1 2 TRP CB C -7.987 5.608 5.424 1.00 . A A . 2 TRP CB 1 1
4 724 1 1 2 TRP CD1 C -8.992 5.379 7.789 1.00 . A A . 2 TRP CD1 1 1
4 725 1 1 2 TRP CD2 C -6.777 5.332 7.772 1.00 . A A . 2 TRP CD2 1 1
4 726 1 1 2 TRP CE2 C -7.183 5.202 9.085 1.00 . A A . 2 TRP CE2 1 1
4 727 1 1 2 TRP CE3 C -5.416 5.339 7.423 1.00 . A A . 2 TRP CE3 1 1
4 728 1 1 2 TRP CG C -7.954 5.446 6.944 1.00 . A A . 2 TRP CG 1 1
4 729 1 1 2 TRP CH2 C -4.927 5.073 9.830 1.00 . A A . 2 TRP CH2 1 1
4 730 1 1 2 TRP CZ2 C -6.288 5.069 10.154 1.00 . A A . 2 TRP CZ2 1 1
4 731 1 1 2 TRP CZ3 C -4.535 5.205 8.503 1.00 . A A . 2 TRP CZ3 1 1
4 732 1 1 2 TRP H H -9.857 3.990 5.753 1.00 . A A . 2 TRP H 1 1
4 733 1 1 2 TRP HA H -8.106 4.535 3.598 1.00 . A A . 2 TRP HA 1 1
4 734 1 1 2 TRP HB2 H -7.078 6.119 5.104 1.00 . A A . 2 TRP HB2 1 1
4 735 1 1 2 TRP HB3 H -8.825 6.251 5.155 1.00 . A A . 2 TRP HB3 1 1
4 736 1 1 2 TRP HD1 H -10.037 5.435 7.483 1.00 . A A . 2 TRP HD1 1 1
4 737 1 1 2 TRP HE1 H -9.213 5.152 9.975 1.00 . A A . 2 TRP HE1 1 1
4 738 1 1 2 TRP HE3 H -5.070 5.441 6.394 1.00 . A A . 2 TRP HE3 1 1
4 739 1 1 2 TRP HH2 H -4.177 4.974 10.615 1.00 . A A . 2 TRP HH2 1 1
4 740 1 1 2 TRP HZ2 H -6.634 4.967 11.183 1.00 . A A . 2 TRP HZ2 1 1
4 741 1 1 2 TRP HZ3 H -3.466 5.204 8.288 1.00 . A A . 2 TRP HZ3 1 1
4 742 1 1 2 TRP N N -9.368 3.628 4.959 1.00 . A A . 2 TRP N 1 1
4 743 1 1 2 TRP NE1 N -8.573 5.231 9.096 1.00 . A A . 2 TRP NE1 1 1
4 744 1 1 2 TRP O O -5.982 3.253 4.248 1.00 . A A . 2 TRP O 1 1
4 745 1 1 3 ILE C C -6.142 0.419 5.518 1.00 . A A . 3 ILE C 1 1
4 746 1 1 3 ILE CA C -6.156 1.607 6.481 1.00 . A A . 3 ILE CA 1 1
4 747 1 1 3 ILE CB C -6.383 1.211 7.942 1.00 . A A . 3 ILE CB 1 1
4 748 1 1 3 ILE CD1 C -3.935 1.405 8.515 1.00 . A A . 3 ILE CD1 1 1
4 749 1 1 3 ILE CG1 C -5.161 0.489 8.512 1.00 . A A . 3 ILE CG1 1 1
4 750 1 1 3 ILE CG2 C -7.660 0.383 8.093 1.00 . A A . 3 ILE CG2 1 1
4 751 1 1 3 ILE H H -7.979 2.603 6.624 1.00 . A A . 3 ILE H 1 1
4 752 1 1 3 ILE HA H -5.187 2.105 6.430 1.00 . A A . 3 ILE HA 1 1
4 753 1 1 3 ILE HB H -6.520 2.122 8.525 1.00 . A A . 3 ILE HB 1 1
4 754 1 1 3 ILE HD11 H -3.240 1.078 9.289 1.00 . A A . 3 ILE HD11 1 1
4 755 1 1 3 ILE HD12 H -3.444 1.359 7.543 1.00 . A A . 3 ILE HD12 1 1
4 756 1 1 3 ILE HD13 H -4.247 2.429 8.716 1.00 . A A . 3 ILE HD13 1 1
4 757 1 1 3 ILE HG12 H -5.373 0.154 9.526 1.00 . A A . 3 ILE HG12 1 1
4 758 1 1 3 ILE HG13 H -4.951 -0.401 7.919 1.00 . A A . 3 ILE HG13 1 1
4 759 1 1 3 ILE HG21 H -8.513 0.963 7.740 1.00 . A A . 3 ILE HG21 1 1
4 760 1 1 3 ILE HG22 H -7.573 -0.530 7.505 1.00 . A A . 3 ILE HG22 1 1
4 761 1 1 3 ILE HG23 H -7.805 0.127 9.143 1.00 . A A . 3 ILE HG23 1 1
4 762 1 1 3 ILE N N -7.161 2.563 6.051 1.00 . A A . 3 ILE N 1 1
4 763 1 1 3 ILE O O -5.109 -0.225 5.334 1.00 . A A . 3 ILE O 1 1
4 764 1 1 4 GLN C C -6.734 -0.535 2.649 1.00 . A A . 4 GLN C 1 1
4 765 1 1 4 GLN CA C -7.425 -0.915 3.961 1.00 . A A . 4 GLN CA 1 1
4 766 1 1 4 GLN CB C -8.894 -1.270 3.723 1.00 . A A . 4 GLN CB 1 1
4 767 1 1 4 GLN CD C -10.950 -2.324 4.735 1.00 . A A . 4 GLN CD 1 1
4 768 1 1 4 GLN CG C -9.433 -2.157 4.847 1.00 . A A . 4 GLN CG 1 1
4 769 1 1 4 GLN H H -8.141 0.676 5.100 1.00 . A A . 4 GLN H 1 1
4 770 1 1 4 GLN HA H -6.920 -1.769 4.411 1.00 . A A . 4 GLN HA 1 1
4 771 1 1 4 GLN HB2 H -9.487 -0.357 3.658 1.00 . A A . 4 GLN HB2 1 1
4 772 1 1 4 GLN HB3 H -8.998 -1.785 2.767 1.00 . A A . 4 GLN HB3 1 1
4 773 1 1 4 GLN HE21 H -11.169 -0.839 6.092 1.00 . A A . 4 GLN HE21 1 1
4 774 1 1 4 GLN HE22 H -12.645 -1.527 5.504 1.00 . A A . 4 GLN HE22 1 1
4 775 1 1 4 GLN HG2 H -8.952 -3.133 4.808 1.00 . A A . 4 GLN HG2 1 1
4 776 1 1 4 GLN HG3 H -9.183 -1.716 5.813 1.00 . A A . 4 GLN HG3 1 1
4 777 1 1 4 GLN N N -7.301 0.163 4.927 1.00 . A A . 4 GLN N 1 1
4 778 1 1 4 GLN NE2 N -11.645 -1.495 5.508 1.00 . A A . 4 GLN NE2 1 1
4 779 1 1 4 GLN O O -5.923 -1.298 2.127 1.00 . A A . 4 GLN O 1 1
4 780 1 1 4 GLN OE1 O -11.456 -3.152 3.994 1.00 . A A . 4 GLN OE1 1 1
4 781 1 1 5 . C C -4.841 1.144 1.195 1.00 . A A . 5 DIV C 1 1
4 782 1 1 5 . CA C -6.360 1.228 1.036 1.00 . A A . 5 DIV CA 1 1
4 783 1 1 5 . CB1 C -6.741 0.506 -0.257 1.00 . A A . 5 DIV CB1 1 1
4 784 1 1 5 . CB2 C -6.744 2.705 0.946 1.00 . A A . 5 DIV CB2 1 1
4 785 1 1 5 . CG1 C -8.234 0.606 -0.579 1.00 . A A . 5 DIV CG1 1 1
4 786 1 1 5 . H H -7.837 1.198 2.506 1.00 . A A . 5 DIV H 1 1
4 787 1 1 5 . HB11 H -6.491 -0.551 -0.169 1.00 . A A . 5 DIV HB11 1 1
4 788 1 1 5 . HB12 H -6.191 0.939 -1.091 1.00 . A A . 5 DIV HB12 1 1
4 789 1 1 5 . HB21 H -7.831 2.795 0.933 1.00 . A A . 5 DIV HB21 1 1
4 790 1 1 5 . HB22 H -6.347 3.237 1.810 1.00 . A A . 5 DIV HB22 1 1
4 791 1 1 5 . HB23 H -6.331 3.133 0.033 1.00 . A A . 5 DIV HB23 1 1
4 792 1 1 5 . HG11 H -8.815 0.354 0.307 1.00 . A A . 5 DIV HG11 1 1
4 793 1 1 5 . HG12 H -8.470 1.623 -0.892 1.00 . A A . 5 DIV HG12 1 1
4 794 1 1 5 . HG13 H -8.479 -0.088 -1.383 1.00 . A A . 5 DIV HG13 1 1
4 795 1 1 5 . N N -7.080 0.645 2.156 1.00 . A A . 5 DIV N 1 1
4 796 1 1 5 . O O -4.138 0.734 0.272 1.00 . A A . 5 DIV O 1 1
4 797 1 1 6 ILE C C -2.483 0.030 2.601 1.00 . A A . 6 ILE C 1 1
4 798 1 1 6 ILE CA C -2.958 1.482 2.675 1.00 . A A . 6 ILE CA 1 1
4 799 1 1 6 ILE CB C -2.671 2.156 4.019 1.00 . A A . 6 ILE CB 1 1
4 800 1 1 6 ILE CD1 C -2.655 4.350 5.260 1.00 . A A . 6 ILE CD1 1 1
4 801 1 1 6 ILE CG1 C -2.696 3.679 3.886 1.00 . A A . 6 ILE CG1 1 1
4 802 1 1 6 ILE CG2 C -1.352 1.654 4.612 1.00 . A A . 6 ILE CG2 1 1
4 803 1 1 6 ILE H H -4.954 1.892 3.108 1.00 . A A . 6 ILE H 1 1
4 804 1 1 6 ILE HA H -2.437 2.056 1.909 1.00 . A A . 6 ILE HA 1 1
4 805 1 1 6 ILE HB H -3.462 1.880 4.715 1.00 . A A . 6 ILE HB 1 1
4 806 1 1 6 ILE HD11 H -1.633 4.340 5.640 1.00 . A A . 6 ILE HD11 1 1
4 807 1 1 6 ILE HD12 H -2.998 5.381 5.171 1.00 . A A . 6 ILE HD12 1 1
4 808 1 1 6 ILE HD13 H -3.305 3.810 5.948 1.00 . A A . 6 ILE HD13 1 1
4 809 1 1 6 ILE HG12 H -1.845 4.010 3.290 1.00 . A A . 6 ILE HG12 1 1
4 810 1 1 6 ILE HG13 H -3.597 3.987 3.353 1.00 . A A . 6 ILE HG13 1 1
4 811 1 1 6 ILE HG21 H -1.442 0.594 4.851 1.00 . A A . 6 ILE HG21 1 1
4 812 1 1 6 ILE HG22 H -0.551 1.797 3.888 1.00 . A A . 6 ILE HG22 1 1
4 813 1 1 6 ILE HG23 H -1.126 2.214 5.519 1.00 . A A . 6 ILE HG23 1 1
4 814 1 1 6 ILE N N -4.378 1.539 2.372 1.00 . A A . 6 ILE N 1 1
4 815 1 1 6 ILE O O -1.574 -0.291 1.836 1.00 . A A . 6 ILE O 1 1
4 816 1 1 7 THR C C -2.532 -2.864 2.207 1.00 . A A . 7 THR C 1 1
4 817 1 1 7 THR CA C -2.662 -2.179 3.569 1.00 . A A . 7 THR CA 1 1
4 818 1 1 7 THR CB C -3.631 -2.890 4.516 1.00 . A A . 7 THR CB 1 1
4 819 1 1 7 THR CG2 C -3.211 -4.332 4.808 1.00 . A A . 7 THR CG2 1 1
4 820 1 1 7 THR H H -3.929 -0.568 3.939 1.00 . A A . 7 THR H 1 1
4 821 1 1 7 THR HA H -1.667 -2.159 4.013 1.00 . A A . 7 THR HA 1 1
4 822 1 1 7 THR HB H -4.650 -2.851 4.131 1.00 . A A . 7 THR HB 1 1
4 823 1 1 7 THR HG1 H -4.292 -1.730 6.006 1.00 . A A . 7 THR HG1 1 1
4 824 1 1 7 THR HG21 H -3.256 -4.917 3.889 1.00 . A A . 7 THR HG21 1 1
4 825 1 1 7 THR HG22 H -2.192 -4.343 5.197 1.00 . A A . 7 THR HG22 1 1
4 826 1 1 7 THR HG23 H -3.886 -4.764 5.548 1.00 . A A . 7 THR HG23 1 1
4 827 1 1 7 THR N N -3.118 -0.809 3.405 1.00 . A A . 7 THR N 1 1
4 828 1 1 7 THR O O -1.555 -3.567 1.952 1.00 . A A . 7 THR O 1 1
4 829 1 1 7 THR OG1 O -3.455 -2.218 5.760 1.00 . A A . 7 THR OG1 1 1
4 830 1 1 8 ABA C C -2.429 -2.795 -0.858 1.00 . A A . 8 AIB C 1 1
4 831 1 1 8 ABA CA C -3.564 -3.260 0.056 1.00 . A A . 8 AIB CA 1 1
4 832 1 1 8 ABA H H -4.304 -2.035 1.569 1.00 . A A . 8 AIB H 1 1
4 833 1 1 8 ABA N N -3.530 -2.635 1.366 1.00 . A A . 8 AIB N 1 1
4 834 1 1 8 ABA O O -1.895 -3.580 -1.641 1.00 . A A . 8 AIB O 1 1
4 835 1 1 9 LEU C C 0.269 -1.044 -1.065 1.00 . A A . 9 LEU C 1 1
4 836 1 1 9 LEU CA C -1.143 -0.901 -1.637 1.00 . A A . 9 LEU CA 1 1
4 837 1 1 9 LEU CB C -1.545 0.547 -1.927 1.00 . A A . 9 LEU CB 1 1
4 838 1 1 9 LEU CD1 C -3.304 2.205 -2.645 1.00 . A A . 9 LEU CD1 1 1
4 839 1 1 9 LEU CD2 C -2.775 0.195 -4.100 1.00 . A A . 9 LEU CD2 1 1
4 840 1 1 9 LEU CG C -2.867 0.739 -2.673 1.00 . A A . 9 LEU CG 1 1
4 841 1 1 9 LEU H H -2.458 -0.915 -0.021 1.00 . A A . 9 LEU H 1 1
4 842 1 1 9 LEU HA H -1.191 -1.444 -2.580 1.00 . A A . 9 LEU HA 1 1
4 843 1 1 9 LEU HB2 H -1.603 1.084 -0.980 1.00 . A A . 9 LEU HB2 1 1
4 844 1 1 9 LEU HB3 H -0.750 1.014 -2.510 1.00 . A A . 9 LEU HB3 1 1
4 845 1 1 9 LEU HD11 H -3.378 2.542 -1.612 1.00 . A A . 9 LEU HD11 1 1
4 846 1 1 9 LEU HD12 H -2.570 2.813 -3.174 1.00 . A A . 9 LEU HD12 1 1
4 847 1 1 9 LEU HD13 H -4.274 2.304 -3.131 1.00 . A A . 9 LEU HD13 1 1
4 848 1 1 9 LEU HD21 H -1.863 0.561 -4.571 1.00 . A A . 9 LEU HD21 1 1
4 849 1 1 9 LEU HD22 H -2.757 -0.895 -4.073 1.00 . A A . 9 LEU HD22 1 1
4 850 1 1 9 LEU HD23 H -3.639 0.530 -4.673 1.00 . A A . 9 LEU HD23 1 1
4 851 1 1 9 LEU HG H -3.636 0.164 -2.158 1.00 . A A . 9 LEU HG 1 1
4 852 1 1 9 LEU N N -2.093 -1.520 -0.729 1.00 . A A . 9 LEU N 1 1
4 853 1 1 9 LEU O O 1.253 -0.867 -1.782 1.00 . A A . 9 LEU O 1 1
4 854 1 1 10 ABA C C 2.711 -2.061 0.199 1.00 . A A . 10 AIB C 1 1
4 855 1 1 10 ABA CA C 1.584 -1.343 0.943 1.00 . A A . 10 AIB CA 1 1
4 856 1 1 10 ABA H H -0.471 -1.630 0.764 1.00 . A A . 10 AIB H 1 1
4 857 1 1 10 ABA N N 0.324 -1.362 0.220 1.00 . A A . 10 AIB N 1 1
4 858 1 1 10 ABA O O 3.773 -1.486 -0.032 1.00 . A A . 10 AIB O 1 1
4 859 1 1 11 HYP C C 3.928 -3.891 -2.039 1.00 . A A . 11 HYP C 1 1
4 860 1 1 11 HYP CA C 3.487 -4.237 -0.616 1.00 . A A . 11 HYP CA 1 1
4 861 1 1 11 HYP CB C 2.893 -5.631 -0.501 1.00 . A A . 11 HYP CB 1 1
4 862 1 1 11 HYP CD C 1.116 -3.969 -0.159 1.00 . A A . 11 HYP CD 1 1
4 863 1 1 11 HYP CG C 1.387 -5.439 -0.435 1.00 . A A . 11 HYP CG 1 1
4 864 1 1 11 HYP HA H 4.371 -4.120 0.010 1.00 . A A . 11 HYP HA 1 1
4 865 1 1 11 HYP HB2 H 3.172 -6.246 -1.356 1.00 . A A . 11 HYP HB2 1 1
4 866 1 1 11 HYP HB3 H 3.261 -6.140 0.391 1.00 . A A . 11 HYP HB3 1 1
4 867 1 1 11 HYP HD1 H 1.393 -5.814 1.589 1.00 . A A . 11 HYP HD1 1 1
4 868 1 1 11 HYP HD22 H 0.468 -3.537 -0.920 1.00 . A A . 11 HYP HD22 1 1
4 869 1 1 11 HYP HD23 H 0.616 -3.832 0.801 1.00 . A A . 11 HYP HD23 1 1
4 870 1 1 11 HYP HG H 0.889 -5.784 -1.340 1.00 . A A . 11 HYP HG 1 1
4 871 1 1 11 HYP N N 2.434 -3.342 -0.166 1.00 . A A . 11 HYP N 1 1
4 872 1 1 11 HYP O O 4.947 -4.389 -2.515 1.00 . A A . 11 HYP O 1 1
4 873 1 1 11 HYP OD1 O 0.931 -6.174 0.779 1.00 . A A . 11 HYP OD1 1 1
4 874 1 1 12 GLN C C 4.397 -1.448 -4.050 1.00 . A A . 12 GLN C 1 1
4 875 1 1 12 GLN CA C 3.429 -2.633 -4.044 1.00 . A A . 12 GLN CA 1 1
4 876 1 1 12 GLN CB C 2.143 -2.294 -4.799 1.00 . A A . 12 GLN CB 1 1
4 877 1 1 12 GLN CD C 0.854 -4.374 -4.188 1.00 . A A . 12 GLN CD 1 1
4 878 1 1 12 GLN CG C 1.468 -3.560 -5.329 1.00 . A A . 12 GLN CG 1 1
4 879 1 1 12 GLN H H 2.319 -2.631 -2.281 1.00 . A A . 12 GLN H 1 1
4 880 1 1 12 GLN HA H 3.900 -3.498 -4.511 1.00 . A A . 12 GLN HA 1 1
4 881 1 1 12 GLN HB2 H 1.458 -1.762 -4.138 1.00 . A A . 12 GLN HB2 1 1
4 882 1 1 12 GLN HB3 H 2.370 -1.623 -5.629 1.00 . A A . 12 GLN HB3 1 1
4 883 1 1 12 GLN HE21 H -0.779 -3.182 -4.280 1.00 . A A . 12 GLN HE21 1 1
4 884 1 1 12 GLN HE22 H -0.838 -4.430 -3.079 1.00 . A A . 12 GLN HE22 1 1
4 885 1 1 12 GLN HG2 H 0.692 -3.291 -6.046 1.00 . A A . 12 GLN HG2 1 1
4 886 1 1 12 GLN HG3 H 2.198 -4.169 -5.863 1.00 . A A . 12 GLN HG3 1 1
4 887 1 1 12 GLN N N 3.140 -3.040 -2.679 1.00 . A A . 12 GLN N 1 1
4 888 1 1 12 GLN NE2 N -0.354 -3.961 -3.818 1.00 . A A . 12 GLN NE2 1 1
4 889 1 1 12 GLN O O 5.189 -1.295 -4.980 1.00 . A A . 12 GLN O 1 1
4 890 1 1 12 GLN OE1 O 1.440 -5.314 -3.677 1.00 . A A . 12 GLN OE1 1 1
4 891 1 1 13 ABA C C 6.439 0.583 -3.359 1.00 . A A . 13 AIB C 1 1
4 892 1 1 13 ABA CA C 4.955 0.658 -2.999 1.00 . A A . 13 AIB CA 1 1
4 893 1 1 13 ABA H H 3.793 -0.861 -2.172 1.00 . A A . 13 AIB H 1 1
4 894 1 1 13 ABA N N 4.302 -0.642 -3.004 1.00 . A A . 13 AIB N 1 1
4 895 1 1 13 ABA O O 6.905 1.299 -4.244 1.00 . A A . 13 AIB O 1 1
4 896 1 1 14 HYP C C 9.163 -0.853 -3.957 1.00 . A A . 14 HYP C 1 1
4 897 1 1 14 HYP CA C 8.614 -0.289 -2.646 1.00 . A A . 14 HYP CA 1 1
4 898 1 1 14 HYP CB C 9.030 -1.102 -1.430 1.00 . A A . 14 HYP CB 1 1
4 899 1 1 14 HYP CD C 6.614 -1.374 -1.792 1.00 . A A . 14 HYP CD 1 1
4 900 1 1 14 HYP CG C 7.816 -1.936 -1.051 1.00 . A A . 14 HYP CG 1 1
4 901 1 1 14 HYP HA H 8.971 0.739 -2.587 1.00 . A A . 14 HYP HA 1 1
4 902 1 1 14 HYP HB2 H 9.885 -1.737 -1.658 1.00 . A A . 14 HYP HB2 1 1
4 903 1 1 14 HYP HB3 H 9.328 -0.449 -0.609 1.00 . A A . 14 HYP HB3 1 1
4 904 1 1 14 HYP HD1 H 7.428 -0.687 0.539 1.00 . A A . 14 HYP HD1 1 1
4 905 1 1 14 HYP HD22 H 6.123 -2.142 -2.389 1.00 . A A . 14 HYP HD22 1 1
4 906 1 1 14 HYP HD23 H 5.869 -0.984 -1.098 1.00 . A A . 14 HYP HD23 1 1
4 907 1 1 14 HYP HG H 7.966 -2.995 -1.257 1.00 . A A . 14 HYP HG 1 1
4 908 1 1 14 HYP N N 7.160 -0.314 -2.636 1.00 . A A . 14 HYP N 1 1
4 909 1 1 14 HYP O O 10.268 -0.507 -4.372 1.00 . A A . 14 HYP O 1 1
4 910 1 1 14 HYP OD1 O 7.569 -1.667 0.393 1.00 . A A . 14 HYP OD1 1 1
4 911 1 1 15 ABA C C 9.805 -1.995 -6.584 1.00 . A A . 15 AIB C 1 1
4 912 1 1 15 ABA CA C 8.890 -2.654 -5.549 1.00 . A A . 15 AIB CA 1 1
4 913 1 1 15 ABA H H 7.379 -1.773 -4.418 1.00 . A A . 15 AIB H 1 1
4 914 1 1 15 ABA N N 8.365 -1.713 -4.574 1.00 . A A . 15 AIB N 1 1
4 915 1 1 15 ABA O O 10.951 -2.404 -6.755 1.00 . A A . 15 AIB O 1 1
4 916 1 1 16 PRO C C 11.099 0.406 -8.133 1.00 . A A . 16 PRO C 1 1
4 917 1 1 16 PRO CA C 9.866 -0.435 -8.471 1.00 . A A . 16 PRO CA 1 1
4 918 1 1 16 PRO CB C 8.772 0.364 -9.160 1.00 . A A . 16 PRO CB 1 1
4 919 1 1 16 PRO CD C 8.015 -0.261 -6.907 1.00 . A A . 16 PRO CD 1 1
4 920 1 1 16 PRO CG C 7.727 0.645 -8.094 1.00 . A A . 16 PRO CG 1 1
4 921 1 1 16 PRO HA H 10.195 -1.185 -9.045 1.00 . A A . 16 PRO HA 1 1
4 922 1 1 16 PRO HB2 H 9.167 1.292 -9.573 1.00 . A A . 16 PRO HB2 1 1
4 923 1 1 16 PRO HB3 H 8.343 -0.196 -9.990 1.00 . A A . 16 PRO HB3 1 1
4 924 1 1 16 PRO HD2 H 8.139 0.316 -5.990 1.00 . A A . 16 PRO HD2 1 1
4 925 1 1 16 PRO HD3 H 7.198 -0.961 -6.736 1.00 . A A . 16 PRO HD3 1 1
4 926 1 1 16 PRO HG2 H 7.760 1.692 -7.792 1.00 . A A . 16 PRO HG2 1 1
4 927 1 1 16 PRO HG3 H 6.726 0.458 -8.482 1.00 . A A . 16 PRO HG3 1 1
4 928 1 1 16 PRO N N 9.246 -0.959 -7.265 1.00 . A A . 16 PRO N 1 1
4 929 1 1 16 PRO O O 11.874 0.761 -9.020 1.00 . A A . 16 PRO O 1 1
4 930 1 1 17 PHL C C 13.405 0.672 -5.682 1.00 . A A . 17 PHL C 1 1
4 931 1 1 17 PHL CA C 12.347 1.523 -6.388 1.00 . A A . 17 PHL CA 1 1
4 932 1 1 17 PHL CB C 11.769 2.529 -5.391 1.00 . A A . 17 PHL CB 1 1
4 933 1 1 17 PHL CD1 C 10.756 4.188 -6.969 1.00 . A A . 17 PHL CD1 1 1
4 934 1 1 17 PHL CD2 C 9.350 3.177 -5.372 1.00 . A A . 17 PHL CD2 1 1
4 935 1 1 17 PHL CE1 C 9.653 4.930 -7.470 1.00 . A A . 17 PHL CE1 1 1
4 936 1 1 17 PHL CE2 C 8.248 3.919 -5.873 1.00 . A A . 17 PHL CE2 1 1
4 937 1 1 17 PHL CG C 10.581 3.328 -5.931 1.00 . A A . 17 PHL CG 1 1
4 938 1 1 17 PHL CZ C 8.422 4.780 -6.911 1.00 . A A . 17 PHL CZ 1 1
4 939 1 1 17 PHL H2 H 10.619 0.387 -6.131 1.00 . A A . 17 PHL H2 1 1
4 940 1 1 17 PHL HA H 12.788 1.992 -7.267 1.00 . A A . 17 PHL HA 1 1
4 941 1 1 17 PHL HB2 H 11.459 1.997 -4.492 1.00 . A A . 17 PHL HB2 1 1
4 942 1 1 17 PHL HB3 H 12.556 3.223 -5.095 1.00 . A A . 17 PHL HB3 1 1
4 943 1 1 17 PHL HC1 H 13.776 -0.082 -6.376 1.00 . A A . 17 PHL HC1 1 1
4 944 1 1 17 PHL HC2 H 12.952 0.190 -4.815 1.00 . A A . 17 PHL HC2 1 1
4 945 1 1 17 PHL HD1 H 11.742 4.309 -7.417 1.00 . A A . 17 PHL HD1 1 1
4 946 1 1 17 PHL HD2 H 9.211 2.487 -4.540 1.00 . A A . 17 PHL HD2 1 1
4 947 1 1 17 PHL HE1 H 9.793 5.620 -8.302 1.00 . A A . 17 PHL HE1 1 1
4 948 1 1 17 PHL HE2 H 7.262 3.798 -5.425 1.00 . A A . 17 PHL HE2 1 1
4 949 1 1 17 PHL HO H 14.824 2.053 -5.973 1.00 . A A . 17 PHL HO 1 1
4 950 1 1 17 PHL HZ H 7.576 5.349 -7.295 1.00 . A A . 17 PHL HZ 1 1
4 951 1 1 17 PHL N N 11.241 0.700 -6.849 1.00 . A A . 17 PHL N 1 1
4 952 1 1 17 PHL O O 14.509 1.456 -5.236 1.00 . A A . 17 PHL O 1 1
5 953 1 1 1 ACE C C -9.894 2.424 4.202 1.00 . A A . 1 ACE C 1 1
5 954 1 1 1 ACE CH3 C -11.171 1.722 4.515 1.00 . A A . 1 ACE CH3 1 1
5 955 1 1 1 ACE H1 H -11.945 2.457 4.738 1.00 . A A . 1 ACE H1 1 1
5 956 1 1 1 ACE H2 H -11.475 1.123 3.657 1.00 . A A . 1 ACE H2 1 1
5 957 1 1 1 ACE H3 H -11.028 1.073 5.379 1.00 . A A . 1 ACE H3 1 1
5 958 1 1 1 ACE O O -9.224 2.096 3.225 1.00 . A A . 1 ACE O 1 1
5 959 1 1 2 TRP C C -7.167 3.151 5.113 1.00 . A A . 2 TRP C 1 1
5 960 1 1 2 TRP CA C -8.324 4.128 4.895 1.00 . A A . 2 TRP CA 1 1
5 961 1 1 2 TRP CB C -8.278 5.329 5.841 1.00 . A A . 2 TRP CB 1 1
5 962 1 1 2 TRP CD1 C -9.239 4.602 8.124 1.00 . A A . 2 TRP CD1 1 1
5 963 1 1 2 TRP CD2 C -7.044 4.901 8.155 1.00 . A A . 2 TRP CD2 1 1
5 964 1 1 2 TRP CE2 C -7.427 4.518 9.424 1.00 . A A . 2 TRP CE2 1 1
5 965 1 1 2 TRP CE3 C -5.700 5.170 7.844 1.00 . A A . 2 TRP CE3 1 1
5 966 1 1 2 TRP CG C -8.223 4.952 7.323 1.00 . A A . 2 TRP CG 1 1
5 967 1 1 2 TRP CH2 C -5.179 4.631 10.197 1.00 . A A . 2 TRP CH2 1 1
5 968 1 1 2 TRP CZ2 C -6.524 4.369 10.483 1.00 . A A . 2 TRP CZ2 1 1
5 969 1 1 2 TRP CZ3 C -4.810 5.016 8.913 1.00 . A A . 2 TRP CZ3 1 1
5 970 1 1 2 TRP H H -10.134 3.676 5.820 1.00 . A A . 2 TRP H 1 1
5 971 1 1 2 TRP HA H -8.291 4.523 3.879 1.00 . A A . 2 TRP HA 1 1
5 972 1 1 2 TRP HB2 H -7.406 5.937 5.599 1.00 . A A . 2 TRP HB2 1 1
5 973 1 1 2 TRP HB3 H -9.157 5.949 5.667 1.00 . A A . 2 TRP HB3 1 1
5 974 1 1 2 TRP HD1 H -10.279 4.539 7.803 1.00 . A A . 2 TRP HD1 1 1
5 975 1 1 2 TRP HE1 H -9.425 4.024 10.246 1.00 . A A . 2 TRP HE1 1 1
5 976 1 1 2 TRP HE3 H -5.373 5.473 6.849 1.00 . A A . 2 TRP HE3 1 1
5 977 1 1 2 TRP HH2 H -4.424 4.535 10.977 1.00 . A A . 2 TRP HH2 1 1
5 978 1 1 2 TRP HZ2 H -6.851 4.065 11.477 1.00 . A A . 2 TRP HZ2 1 1
5 979 1 1 2 TRP HZ3 H -3.754 5.213 8.727 1.00 . A A . 2 TRP HZ3 1 1
5 980 1 1 2 TRP N N -9.567 3.392 5.046 1.00 . A A . 2 TRP N 1 1
5 981 1 1 2 TRP NE1 N -8.803 4.330 9.404 1.00 . A A . 2 TRP NE1 1 1
5 982 1 1 2 TRP O O -6.184 3.172 4.373 1.00 . A A . 2 TRP O 1 1
5 983 1 1 3 ILE C C -6.208 0.269 5.432 1.00 . A A . 3 ILE C 1 1
5 984 1 1 3 ILE CA C -6.279 1.373 6.490 1.00 . A A . 3 ILE CA 1 1
5 985 1 1 3 ILE CB C -6.496 0.848 7.912 1.00 . A A . 3 ILE CB 1 1
5 986 1 1 3 ILE CD1 C -4.068 1.139 8.528 1.00 . A A . 3 ILE CD1 1 1
5 987 1 1 3 ILE CG1 C -5.238 0.157 8.440 1.00 . A A . 3 ILE CG1 1 1
5 988 1 1 3 ILE CG2 C -7.722 -0.065 7.977 1.00 . A A . 3 ILE CG2 1 1
5 989 1 1 3 ILE H H -8.140 2.282 6.705 1.00 . A A . 3 ILE H 1 1
5 990 1 1 3 ILE HA H -5.332 1.914 6.488 1.00 . A A . 3 ILE HA 1 1
5 991 1 1 3 ILE HB H -6.694 1.699 8.563 1.00 . A A . 3 ILE HB 1 1
5 992 1 1 3 ILE HD11 H -3.604 1.241 7.547 1.00 . A A . 3 ILE HD11 1 1
5 993 1 1 3 ILE HD12 H -4.435 2.112 8.859 1.00 . A A . 3 ILE HD12 1 1
5 994 1 1 3 ILE HD13 H -3.333 0.767 9.241 1.00 . A A . 3 ILE HD13 1 1
5 995 1 1 3 ILE HG12 H -5.437 -0.265 9.425 1.00 . A A . 3 ILE HG12 1 1
5 996 1 1 3 ILE HG13 H -4.972 -0.673 7.785 1.00 . A A . 3 ILE HG13 1 1
5 997 1 1 3 ILE HG21 H -7.512 -0.994 7.447 1.00 . A A . 3 ILE HG21 1 1
5 998 1 1 3 ILE HG22 H -7.956 -0.286 9.019 1.00 . A A . 3 ILE HG22 1 1
5 999 1 1 3 ILE HG23 H -8.572 0.434 7.512 1.00 . A A . 3 ILE HG23 1 1
5 1000 1 1 3 ILE N N -7.322 2.318 6.131 1.00 . A A . 3 ILE N 1 1
5 1001 1 1 3 ILE O O -5.148 -0.309 5.202 1.00 . A A . 3 ILE O 1 1
5 1002 1 1 4 GLN C C -6.717 -0.551 2.520 1.00 . A A . 4 GLN C 1 1
5 1003 1 1 4 GLN CA C -7.436 -1.014 3.790 1.00 . A A . 4 GLN CA 1 1
5 1004 1 1 4 GLN CB C -8.892 -1.377 3.494 1.00 . A A . 4 GLN CB 1 1
5 1005 1 1 4 GLN CD C -10.910 -2.654 4.304 1.00 . A A . 4 GLN CD 1 1
5 1006 1 1 4 GLN CG C -9.409 -2.419 4.487 1.00 . A A . 4 GLN CG 1 1
5 1007 1 1 4 GLN H H -8.211 0.487 5.009 1.00 . A A . 4 GLN H 1 1
5 1008 1 1 4 GLN HA H -6.928 -1.883 4.206 1.00 . A A . 4 GLN HA 1 1
5 1009 1 1 4 GLN HB2 H -9.512 -0.482 3.545 1.00 . A A . 4 GLN HB2 1 1
5 1010 1 1 4 GLN HB3 H -8.975 -1.764 2.478 1.00 . A A . 4 GLN HB3 1 1
5 1011 1 1 4 GLN HE21 H -11.244 -1.442 5.891 1.00 . A A . 4 GLN HE21 1 1
5 1012 1 1 4 GLN HE22 H -12.664 -2.103 5.152 1.00 . A A . 4 GLN HE22 1 1
5 1013 1 1 4 GLN HG2 H -8.872 -3.358 4.347 1.00 . A A . 4 GLN HG2 1 1
5 1014 1 1 4 GLN HG3 H -9.210 -2.087 5.505 1.00 . A A . 4 GLN HG3 1 1
5 1015 1 1 4 GLN N N -7.353 0.011 4.817 1.00 . A A . 4 GLN N 1 1
5 1016 1 1 4 GLN NE2 N -11.669 -2.013 5.189 1.00 . A A . 4 GLN NE2 1 1
5 1017 1 1 4 GLN O O -5.888 -1.277 1.972 1.00 . A A . 4 GLN O 1 1
5 1018 1 1 4 GLN OE1 O -11.350 -3.368 3.418 1.00 . A A . 4 GLN OE1 1 1
5 1019 1 1 5 . C C -4.797 1.221 1.227 1.00 . A A . 5 DIV C 1 1
5 1020 1 1 5 . CA C -6.312 1.312 1.033 1.00 . A A . 5 DIV CA 1 1
5 1021 1 1 5 . CB1 C -6.654 0.677 -0.316 1.00 . A A . 5 DIV CB1 1 1
5 1022 1 1 5 . CB2 C -6.699 2.791 1.030 1.00 . A A . 5 DIV CB2 1 1
5 1023 1 1 5 . CG1 C -8.133 0.811 -0.681 1.00 . A A . 5 DIV CG1 1 1
5 1024 1 1 5 . H H -7.833 1.177 2.448 1.00 . A A . 5 DIV H 1 1
5 1025 1 1 5 . HB11 H -6.412 -0.385 -0.288 1.00 . A A . 5 DIV HB11 1 1
5 1026 1 1 5 . HB12 H -6.074 1.159 -1.103 1.00 . A A . 5 DIV HB12 1 1
5 1027 1 1 5 . HB21 H -6.326 3.264 1.938 1.00 . A A . 5 DIV HB21 1 1
5 1028 1 1 5 . HB22 H -6.259 3.280 0.159 1.00 . A A . 5 DIV HB22 1 1
5 1029 1 1 5 . HB23 H -7.784 2.883 0.990 1.00 . A A . 5 DIV HB23 1 1
5 1030 1 1 5 . HG11 H -8.357 0.168 -1.533 1.00 . A A . 5 DIV HG11 1 1
5 1031 1 1 5 . HG12 H -8.746 0.511 0.169 1.00 . A A . 5 DIV HG12 1 1
5 1032 1 1 5 . HG13 H -8.353 1.846 -0.940 1.00 . A A . 5 DIV HG13 1 1
5 1033 1 1 5 . N N -7.061 0.654 2.089 1.00 . A A . 5 DIV N 1 1
5 1034 1 1 5 . O O -4.067 0.872 0.300 1.00 . A A . 5 DIV O 1 1
5 1035 1 1 6 ILE C C -2.461 0.041 2.622 1.00 . A A . 6 ILE C 1 1
5 1036 1 1 6 ILE CA C -2.956 1.481 2.775 1.00 . A A . 6 ILE CA 1 1
5 1037 1 1 6 ILE CB C -2.709 2.072 4.164 1.00 . A A . 6 ILE CB 1 1
5 1038 1 1 6 ILE CD1 C -3.093 4.198 5.465 1.00 . A A . 6 ILE CD1 1 1
5 1039 1 1 6 ILE CG1 C -2.691 3.601 4.114 1.00 . A A . 6 ILE CG1 1 1
5 1040 1 1 6 ILE CG2 C -1.430 1.505 4.782 1.00 . A A . 6 ILE CG2 1 1
5 1041 1 1 6 ILE H H -4.967 1.838 3.184 1.00 . A A . 6 ILE H 1 1
5 1042 1 1 6 ILE HA H -2.423 2.107 2.058 1.00 . A A . 6 ILE HA 1 1
5 1043 1 1 6 ILE HB H -3.536 1.781 4.811 1.00 . A A . 6 ILE HB 1 1
5 1044 1 1 6 ILE HD11 H -4.161 4.049 5.626 1.00 . A A . 6 ILE HD11 1 1
5 1045 1 1 6 ILE HD12 H -2.533 3.707 6.259 1.00 . A A . 6 ILE HD12 1 1
5 1046 1 1 6 ILE HD13 H -2.871 5.266 5.470 1.00 . A A . 6 ILE HD13 1 1
5 1047 1 1 6 ILE HG12 H -1.696 3.948 3.841 1.00 . A A . 6 ILE HG12 1 1
5 1048 1 1 6 ILE HG13 H -3.375 3.951 3.340 1.00 . A A . 6 ILE HG13 1 1
5 1049 1 1 6 ILE HG21 H -1.589 0.461 5.052 1.00 . A A . 6 ILE HG21 1 1
5 1050 1 1 6 ILE HG22 H -0.616 1.572 4.060 1.00 . A A . 6 ILE HG22 1 1
5 1051 1 1 6 ILE HG23 H -1.173 2.076 5.673 1.00 . A A . 6 ILE HG23 1 1
5 1052 1 1 6 ILE N N -4.368 1.541 2.440 1.00 . A A . 6 ILE N 1 1
5 1053 1 1 6 ILE O O -1.492 -0.213 1.908 1.00 . A A . 6 ILE O 1 1
5 1054 1 1 7 THR C C -2.523 -2.811 1.959 1.00 . A A . 7 THR C 1 1
5 1055 1 1 7 THR CA C -2.709 -2.246 3.368 1.00 . A A . 7 THR CA 1 1
5 1056 1 1 7 THR CB C -3.724 -3.026 4.206 1.00 . A A . 7 THR CB 1 1
5 1057 1 1 7 THR CG2 C -3.321 -4.489 4.401 1.00 . A A . 7 THR CG2 1 1
5 1058 1 1 7 THR H H -3.989 -0.663 3.808 1.00 . A A . 7 THR H 1 1
5 1059 1 1 7 THR HA H -1.735 -2.275 3.856 1.00 . A A . 7 THR HA 1 1
5 1060 1 1 7 THR HB H -4.724 -2.951 3.777 1.00 . A A . 7 THR HB 1 1
5 1061 1 1 7 THR HG1 H -4.422 -1.918 5.719 1.00 . A A . 7 THR HG1 1 1
5 1062 1 1 7 THR HG21 H -2.313 -4.537 4.813 1.00 . A A . 7 THR HG21 1 1
5 1063 1 1 7 THR HG22 H -4.018 -4.969 5.087 1.00 . A A . 7 THR HG22 1 1
5 1064 1 1 7 THR HG23 H -3.346 -5.003 3.439 1.00 . A A . 7 THR HG23 1 1
5 1065 1 1 7 THR N N -3.148 -0.863 3.304 1.00 . A A . 7 THR N 1 1
5 1066 1 1 7 THR O O -1.559 -3.529 1.697 1.00 . A A . 7 THR O 1 1
5 1067 1 1 7 THR OG1 O -3.609 -2.459 5.508 1.00 . A A . 7 THR OG1 1 1
5 1068 1 1 8 ABA C C -2.211 -2.435 -1.064 1.00 . A A . 8 AIB C 1 1
5 1069 1 1 8 ABA CA C -3.422 -2.948 -0.282 1.00 . A A . 8 AIB CA 1 1
5 1070 1 1 8 ABA H H -4.233 -1.871 1.306 1.00 . A A . 8 AIB H 1 1
5 1071 1 1 8 ABA N N -3.460 -2.466 1.088 1.00 . A A . 8 AIB N 1 1
5 1072 1 1 8 ABA O O -1.638 -3.160 -1.875 1.00 . A A . 8 AIB O 1 1
5 1073 1 1 9 LEU C C 0.547 -0.836 -0.920 1.00 . A A . 9 LEU C 1 1
5 1074 1 1 9 LEU CA C -0.812 -0.524 -1.550 1.00 . A A . 9 LEU CA 1 1
5 1075 1 1 9 LEU CB C -1.105 0.973 -1.670 1.00 . A A . 9 LEU CB 1 1
5 1076 1 1 9 LEU CD1 C -2.847 2.748 -2.089 1.00 . A A . 9 LEU CD1 1 1
5 1077 1 1 9 LEU CD2 C -2.103 1.219 -3.972 1.00 . A A . 9 LEU CD2 1 1
5 1078 1 1 9 LEU CG C -2.354 1.350 -2.469 1.00 . A A . 9 LEU CG 1 1
5 1079 1 1 9 LEU H H -2.271 -0.635 -0.068 1.00 . A A . 9 LEU H 1 1
5 1080 1 1 9 LEU HA H -0.828 -0.937 -2.558 1.00 . A A . 9 LEU HA 1 1
5 1081 1 1 9 LEU HB2 H -1.202 1.386 -0.666 1.00 . A A . 9 LEU HB2 1 1
5 1082 1 1 9 LEU HB3 H -0.243 1.456 -2.131 1.00 . A A . 9 LEU HB3 1 1
5 1083 1 1 9 LEU HD11 H -3.082 2.774 -1.026 1.00 . A A . 9 LEU HD11 1 1
5 1084 1 1 9 LEU HD12 H -2.067 3.479 -2.307 1.00 . A A . 9 LEU HD12 1 1
5 1085 1 1 9 LEU HD13 H -3.740 2.987 -2.666 1.00 . A A . 9 LEU HD13 1 1
5 1086 1 1 9 LEU HD21 H -1.682 0.237 -4.187 1.00 . A A . 9 LEU HD21 1 1
5 1087 1 1 9 LEU HD22 H -3.045 1.336 -4.509 1.00 . A A . 9 LEU HD22 1 1
5 1088 1 1 9 LEU HD23 H -1.404 1.992 -4.293 1.00 . A A . 9 LEU HD23 1 1
5 1089 1 1 9 LEU HG H -3.148 0.648 -2.213 1.00 . A A . 9 LEU HG 1 1
5 1090 1 1 9 LEU N N -1.858 -1.188 -0.791 1.00 . A A . 9 LEU N 1 1
5 1091 1 1 9 LEU O O 1.580 -0.730 -1.578 1.00 . A A . 9 LEU O 1 1
5 1092 1 1 10 ABA C C 2.850 -2.029 0.449 1.00 . A A . 10 AIB C 1 1
5 1093 1 1 10 ABA CA C 1.711 -1.288 1.152 1.00 . A A . 10 AIB CA 1 1
5 1094 1 1 10 ABA H H -0.340 -1.466 0.828 1.00 . A A . 10 AIB H 1 1
5 1095 1 1 10 ABA N N 0.502 -1.213 0.350 1.00 . A A . 10 AIB N 1 1
5 1096 1 1 10 ABA O O 3.953 -1.500 0.319 1.00 . A A . 10 AIB O 1 1
5 1097 1 1 11 HYP C C 4.003 -3.739 -1.913 1.00 . A A . 11 HYP C 1 1
5 1098 1 1 11 HYP CA C 3.561 -4.166 -0.512 1.00 . A A . 11 HYP CA 1 1
5 1099 1 1 11 HYP CB C 2.930 -5.549 -0.484 1.00 . A A . 11 HYP CB 1 1
5 1100 1 1 11 HYP CD C 1.201 -3.866 -0.020 1.00 . A A . 11 HYP CD 1 1
5 1101 1 1 11 HYP CG C 1.430 -5.321 -0.394 1.00 . A A . 11 HYP CG 1 1
5 1102 1 1 11 HYP HA H 4.452 -4.115 0.113 1.00 . A A . 11 HYP HA 1 1
5 1103 1 1 11 HYP HB2 H 3.187 -6.113 -1.379 1.00 . A A . 11 HYP HB2 1 1
5 1104 1 1 11 HYP HB3 H 3.290 -6.125 0.369 1.00 . A A . 11 HYP HB3 1 1
5 1105 1 1 11 HYP HD1 H 1.437 -5.826 1.602 1.00 . A A . 11 HYP HD1 1 1
5 1106 1 1 11 HYP HD22 H 0.560 -3.367 -0.746 1.00 . A A . 11 HYP HD22 1 1
5 1107 1 1 11 HYP HD23 H 0.712 -3.779 0.950 1.00 . A A . 11 HYP HD23 1 1
5 1108 1 1 11 HYP HG H 0.918 -5.593 -1.317 1.00 . A A . 11 HYP HG 1 1
5 1109 1 1 11 HYP N N 2.535 -3.275 0.005 1.00 . A A . 11 HYP N 1 1
5 1110 1 1 11 HYP O O 5.037 -4.191 -2.405 1.00 . A A . 11 HYP O 1 1
5 1111 1 1 11 HYP OD1 O 0.962 -6.121 0.772 1.00 . A A . 11 HYP OD1 1 1
5 1112 1 1 12 GLN C C 4.373 -1.290 -3.965 1.00 . A A . 12 GLN C 1 1
5 1113 1 1 12 GLN CA C 3.421 -2.486 -3.897 1.00 . A A . 12 GLN CA 1 1
5 1114 1 1 12 GLN CB C 2.097 -2.173 -4.598 1.00 . A A . 12 GLN CB 1 1
5 1115 1 1 12 GLN CD C -0.109 -3.113 -5.376 1.00 . A A . 12 GLN CD 1 1
5 1116 1 1 12 GLN CG C 1.160 -3.382 -4.565 1.00 . A A . 12 GLN CG 1 1
5 1117 1 1 12 GLN H H 2.410 -2.446 -2.076 1.00 . A A . 12 GLN H 1 1
5 1118 1 1 12 GLN HA H 3.881 -3.352 -4.373 1.00 . A A . 12 GLN HA 1 1
5 1119 1 1 12 GLN HB2 H 1.617 -1.323 -4.113 1.00 . A A . 12 GLN HB2 1 1
5 1120 1 1 12 GLN HB3 H 2.288 -1.883 -5.631 1.00 . A A . 12 GLN HB3 1 1
5 1121 1 1 12 GLN HE21 H -1.180 -3.282 -3.666 1.00 . A A . 12 GLN HE21 1 1
5 1122 1 1 12 GLN HE22 H -2.107 -2.949 -5.091 1.00 . A A . 12 GLN HE22 1 1
5 1123 1 1 12 GLN HG2 H 1.674 -4.255 -4.966 1.00 . A A . 12 GLN HG2 1 1
5 1124 1 1 12 GLN HG3 H 0.896 -3.613 -3.533 1.00 . A A . 12 GLN HG3 1 1
5 1125 1 1 12 GLN N N 3.200 -2.876 -2.515 1.00 . A A . 12 GLN N 1 1
5 1126 1 1 12 GLN NE2 N -1.225 -3.115 -4.651 1.00 . A A . 12 GLN NE2 1 1
5 1127 1 1 12 GLN O O 5.126 -1.145 -4.927 1.00 . A A . 12 GLN O 1 1
5 1128 1 1 12 GLN OE1 O -0.078 -2.918 -6.580 1.00 . A A . 12 GLN OE1 1 1
5 1129 1 1 13 ABA C C 6.456 0.723 -3.350 1.00 . A A . 13 AIB C 1 1
5 1130 1 1 13 ABA CA C 4.981 0.824 -2.960 1.00 . A A . 13 AIB CA 1 1
5 1131 1 1 13 ABA H H 3.813 -0.663 -2.086 1.00 . A A . 13 AIB H 1 1
5 1132 1 1 13 ABA N N 4.310 -0.464 -2.931 1.00 . A A . 13 AIB N 1 1
5 1133 1 1 13 ABA O O 6.901 1.380 -4.289 1.00 . A A . 13 AIB O 1 1
5 1134 1 1 14 HYP C C 9.118 -0.822 -3.955 1.00 . A A . 14 HYP C 1 1
5 1135 1 1 14 HYP CA C 8.643 -0.141 -2.669 1.00 . A A . 14 HYP CA 1 1
5 1136 1 1 14 HYP CB C 9.101 -0.863 -1.412 1.00 . A A . 14 HYP CB 1 1
5 1137 1 1 14 HYP CD C 6.667 -1.106 -1.639 1.00 . A A . 14 HYP CD 1 1
5 1138 1 1 14 HYP CG C 7.892 -1.635 -0.911 1.00 . A A . 14 HYP CG 1 1
5 1139 1 1 14 HYP HA H 9.024 0.879 -2.711 1.00 . A A . 14 HYP HA 1 1
5 1140 1 1 14 HYP HB2 H 9.932 -1.535 -1.627 1.00 . A A . 14 HYP HB2 1 1
5 1141 1 1 14 HYP HB3 H 9.451 -0.155 -0.661 1.00 . A A . 14 HYP HB3 1 1
5 1142 1 1 14 HYP HD1 H 8.520 -1.522 1.045 1.00 . A A . 14 HYP HD1 1 1
5 1143 1 1 14 HYP HD22 H 6.132 -1.908 -2.148 1.00 . A A . 14 HYP HD22 1 1
5 1144 1 1 14 HYP HD23 H 5.963 -0.643 -0.947 1.00 . A A . 14 HYP HD23 1 1
5 1145 1 1 14 HYP HG H 8.009 -2.711 -1.037 1.00 . A A . 14 HYP HG 1 1
5 1146 1 1 14 HYP N N 7.193 -0.131 -2.590 1.00 . A A . 14 HYP N 1 1
5 1147 1 1 14 HYP O O 10.214 -0.544 -4.441 1.00 . A A . 14 HYP O 1 1
5 1148 1 1 14 HYP OD1 O 7.718 -1.245 0.516 1.00 . A A . 14 HYP OD1 1 1
5 1149 1 1 15 ABA C C 9.629 -2.184 -6.496 1.00 . A A . 15 AIB C 1 1
5 1150 1 1 15 ABA CA C 8.724 -2.729 -5.390 1.00 . A A . 15 AIB CA 1 1
5 1151 1 1 15 ABA H H 7.291 -1.717 -4.267 1.00 . A A . 15 AIB H 1 1
5 1152 1 1 15 ABA N N 8.270 -1.701 -4.470 1.00 . A A . 15 AIB N 1 1
5 1153 1 1 15 ABA O O 10.754 -2.651 -6.670 1.00 . A A . 15 AIB O 1 1
5 1154 1 1 16 PRO C C 10.964 0.033 -8.267 1.00 . A A . 16 PRO C 1 1
5 1155 1 1 16 PRO CA C 9.685 -0.775 -8.498 1.00 . A A . 16 PRO CA 1 1
5 1156 1 1 16 PRO CB C 8.601 0.018 -9.208 1.00 . A A . 16 PRO CB 1 1
5 1157 1 1 16 PRO CD C 7.903 -0.402 -6.890 1.00 . A A . 16 PRO CD 1 1
5 1158 1 1 16 PRO CG C 7.608 0.425 -8.131 1.00 . A A . 16 PRO CG 1 1
5 1159 1 1 16 PRO HA H 9.961 -1.579 -9.024 1.00 . A A . 16 PRO HA 1 1
5 1160 1 1 16 PRO HB2 H 9.019 0.894 -9.704 1.00 . A A . 16 PRO HB2 1 1
5 1161 1 1 16 PRO HB3 H 8.118 -0.583 -9.977 1.00 . A A . 16 PRO HB3 1 1
5 1162 1 1 16 PRO HD2 H 8.085 0.236 -6.024 1.00 . A A . 16 PRO HD2 1 1
5 1163 1 1 16 PRO HD3 H 7.065 -1.050 -6.637 1.00 . A A . 16 PRO HD3 1 1
5 1164 1 1 16 PRO HG2 H 7.697 1.489 -7.912 1.00 . A A . 16 PRO HG2 1 1
5 1165 1 1 16 PRO HG3 H 6.586 0.254 -8.470 1.00 . A A . 16 PRO HG3 1 1
5 1166 1 1 16 PRO N N 9.090 -1.178 -7.235 1.00 . A A . 16 PRO N 1 1
5 1167 1 1 16 PRO O O 11.734 0.262 -9.198 1.00 . A A . 16 PRO O 1 1
5 1168 1 1 17 PHL C C 13.379 0.345 -5.989 1.00 . A A . 17 PHL C 1 1
5 1169 1 1 17 PHL CA C 12.321 1.224 -6.658 1.00 . A A . 17 PHL CA 1 1
5 1170 1 1 17 PHL CB C 11.856 2.290 -5.663 1.00 . A A . 17 PHL CB 1 1
5 1171 1 1 17 PHL CD1 C 9.468 3.044 -5.626 1.00 . A A . 17 PHL CD1 1 1
5 1172 1 1 17 PHL CD2 C 10.925 4.052 -7.179 1.00 . A A . 17 PHL CD2 1 1
5 1173 1 1 17 PHL CE1 C 8.402 3.852 -6.101 1.00 . A A . 17 PHL CE1 1 1
5 1174 1 1 17 PHL CE2 C 9.858 4.860 -7.654 1.00 . A A . 17 PHL CE2 1 1
5 1175 1 1 17 PHL CG C 10.707 3.160 -6.175 1.00 . A A . 17 PHL CG 1 1
5 1176 1 1 17 PHL CZ C 8.620 4.743 -7.105 1.00 . A A . 17 PHL CZ 1 1
5 1177 1 1 17 PHL H2 H 10.520 0.252 -6.269 1.00 . A A . 17 PHL H2 1 1
5 1178 1 1 17 PHL HA H 12.728 1.645 -7.577 1.00 . A A . 17 PHL HA 1 1
5 1179 1 1 17 PHL HB2 H 11.543 1.800 -4.741 1.00 . A A . 17 PHL HB2 1 1
5 1180 1 1 17 PHL HB3 H 12.701 2.931 -5.411 1.00 . A A . 17 PHL HB3 1 1
5 1181 1 1 17 PHL HC1 H 12.941 -0.132 -5.112 1.00 . A A . 17 PHL HC1 1 1
5 1182 1 1 17 PHL HC2 H 14.222 0.969 -5.691 1.00 . A A . 17 PHL HC2 1 1
5 1183 1 1 17 PHL HD1 H 9.294 2.330 -4.820 1.00 . A A . 17 PHL HD1 1 1
5 1184 1 1 17 PHL HD2 H 11.918 4.145 -7.619 1.00 . A A . 17 PHL HD2 1 1
5 1185 1 1 17 PHL HE1 H 7.409 3.759 -5.661 1.00 . A A . 17 PHL HE1 1 1
5 1186 1 1 17 PHL HE2 H 10.033 5.574 -8.459 1.00 . A A . 17 PHL HE2 1 1
5 1187 1 1 17 PHL HO H 14.855 -0.625 -6.929 1.00 . A A . 17 PHL HO 1 1
5 1188 1 1 17 PHL HZ H 7.801 5.363 -7.471 1.00 . A A . 17 PHL HZ 1 1
5 1189 1 1 17 PHL N N 11.150 0.443 -7.021 1.00 . A A . 17 PHL N 1 1
5 1190 1 1 17 PHL O O 13.858 -0.672 -6.864 1.00 . A A . 17 PHL O 1 1
6 1191 1 1 1 ACE C C -9.701 2.809 4.119 1.00 . A A . 1 ACE C 1 1
6 1192 1 1 1 ACE CH3 C -11.067 2.337 4.484 1.00 . A A . 1 ACE CH3 1 1
6 1193 1 1 1 ACE H1 H -11.597 2.028 3.583 1.00 . A A . 1 ACE H1 1 1
6 1194 1 1 1 ACE H2 H -10.989 1.493 5.168 1.00 . A A . 1 ACE H2 1 1
6 1195 1 1 1 ACE H3 H -11.614 3.147 4.966 1.00 . A A . 1 ACE H3 1 1
6 1196 1 1 1 ACE O O -9.098 2.303 3.174 1.00 . A A . 1 ACE O 1 1
6 1197 1 1 2 TRP C C -6.895 3.148 4.950 1.00 . A A . 2 TRP C 1 1
6 1198 1 1 2 TRP CA C -7.876 4.291 4.685 1.00 . A A . 2 TRP CA 1 1
6 1199 1 1 2 TRP CB C -7.621 5.515 5.567 1.00 . A A . 2 TRP CB 1 1
6 1200 1 1 2 TRP CD1 C -9.160 7.561 5.240 1.00 . A A . 2 TRP CD1 1 1
6 1201 1 1 2 TRP CD2 C -7.395 7.571 3.900 1.00 . A A . 2 TRP CD2 1 1
6 1202 1 1 2 TRP CE2 C -8.128 8.707 3.625 1.00 . A A . 2 TRP CE2 1 1
6 1203 1 1 2 TRP CE3 C -6.204 7.282 3.211 1.00 . A A . 2 TRP CE3 1 1
6 1204 1 1 2 TRP CG C -8.071 6.838 4.944 1.00 . A A . 2 TRP CG 1 1
6 1205 1 1 2 TRP CH2 C -6.570 9.380 1.958 1.00 . A A . 2 TRP CH2 1 1
6 1206 1 1 2 TRP CZ2 C -7.753 9.646 2.658 1.00 . A A . 2 TRP CZ2 1 1
6 1207 1 1 2 TRP CZ3 C -5.843 8.231 2.246 1.00 . A A . 2 TRP CZ3 1 1
6 1208 1 1 2 TRP H H -9.738 4.220 5.617 1.00 . A A . 2 TRP H 1 1
6 1209 1 1 2 TRP HA H -7.793 4.624 3.651 1.00 . A A . 2 TRP HA 1 1
6 1210 1 1 2 TRP HB2 H -8.136 5.379 6.519 1.00 . A A . 2 TRP HB2 1 1
6 1211 1 1 2 TRP HB3 H -6.554 5.574 5.789 1.00 . A A . 2 TRP HB3 1 1
6 1212 1 1 2 TRP HD1 H -9.893 7.282 5.997 1.00 . A A . 2 TRP HD1 1 1
6 1213 1 1 2 TRP HE1 H -10.020 9.457 4.507 1.00 . A A . 2 TRP HE1 1 1
6 1214 1 1 2 TRP HE3 H -5.608 6.392 3.409 1.00 . A A . 2 TRP HE3 1 1
6 1215 1 1 2 TRP HH2 H -6.221 10.071 1.191 1.00 . A A . 2 TRP HH2 1 1
6 1216 1 1 2 TRP HZ2 H -8.349 10.537 2.460 1.00 . A A . 2 TRP HZ2 1 1
6 1217 1 1 2 TRP HZ3 H -4.927 8.056 1.682 1.00 . A A . 2 TRP HZ3 1 1
6 1218 1 1 2 TRP N N -9.223 3.782 4.880 1.00 . A A . 2 TRP N 1 1
6 1219 1 1 2 TRP NE1 N -9.235 8.701 4.467 1.00 . A A . 2 TRP NE1 1 1
6 1220 1 1 2 TRP O O -5.938 2.961 4.199 1.00 . A A . 2 TRP O 1 1
6 1221 1 1 3 ILE C C -6.270 0.236 5.404 1.00 . A A . 3 ILE C 1 1
6 1222 1 1 3 ILE CA C -6.267 1.356 6.447 1.00 . A A . 3 ILE CA 1 1
6 1223 1 1 3 ILE CB C -6.628 0.883 7.856 1.00 . A A . 3 ILE CB 1 1
6 1224 1 1 3 ILE CD1 C -4.222 0.853 8.610 1.00 . A A . 3 ILE CD1 1 1
6 1225 1 1 3 ILE CG1 C -5.506 0.035 8.456 1.00 . A A . 3 ILE CG1 1 1
6 1226 1 1 3 ILE CG2 C -7.969 0.146 7.861 1.00 . A A . 3 ILE CG2 1 1
6 1227 1 1 3 ILE H H -7.981 2.531 6.585 1.00 . A A . 3 ILE H 1 1
6 1228 1 1 3 ILE HA H -5.265 1.780 6.497 1.00 . A A . 3 ILE HA 1 1
6 1229 1 1 3 ILE HB H -6.743 1.762 8.492 1.00 . A A . 3 ILE HB 1 1
6 1230 1 1 3 ILE HD11 H -4.476 1.882 8.862 1.00 . A A . 3 ILE HD11 1 1
6 1231 1 1 3 ILE HD12 H -3.611 0.424 9.404 1.00 . A A . 3 ILE HD12 1 1
6 1232 1 1 3 ILE HD13 H -3.665 0.835 7.673 1.00 . A A . 3 ILE HD13 1 1
6 1233 1 1 3 ILE HG12 H -5.815 -0.350 9.428 1.00 . A A . 3 ILE HG12 1 1
6 1234 1 1 3 ILE HG13 H -5.317 -0.828 7.817 1.00 . A A . 3 ILE HG13 1 1
6 1235 1 1 3 ILE HG21 H -7.895 -0.747 7.242 1.00 . A A . 3 ILE HG21 1 1
6 1236 1 1 3 ILE HG22 H -8.223 -0.140 8.881 1.00 . A A . 3 ILE HG22 1 1
6 1237 1 1 3 ILE HG23 H -8.745 0.801 7.463 1.00 . A A . 3 ILE HG23 1 1
6 1238 1 1 3 ILE N N -7.167 2.413 6.018 1.00 . A A . 3 ILE N 1 1
6 1239 1 1 3 ILE O O -5.267 -0.456 5.230 1.00 . A A . 3 ILE O 1 1
6 1240 1 1 4 GLN C C -6.754 -0.489 2.451 1.00 . A A . 4 GLN C 1 1
6 1241 1 1 4 GLN CA C -7.541 -0.909 3.695 1.00 . A A . 4 GLN CA 1 1
6 1242 1 1 4 GLN CB C -9.013 -1.153 3.357 1.00 . A A . 4 GLN CB 1 1
6 1243 1 1 4 GLN CD C -11.181 -2.087 4.243 1.00 . A A . 4 GLN CD 1 1
6 1244 1 1 4 GLN CG C -9.656 -2.107 4.366 1.00 . A A . 4 GLN CG 1 1
6 1245 1 1 4 GLN H H -8.223 0.646 4.902 1.00 . A A . 4 GLN H 1 1
6 1246 1 1 4 GLN HA H -7.114 -1.821 4.112 1.00 . A A . 4 GLN HA 1 1
6 1247 1 1 4 GLN HB2 H -9.551 -0.205 3.352 1.00 . A A . 4 GLN HB2 1 1
6 1248 1 1 4 GLN HB3 H -9.094 -1.572 2.353 1.00 . A A . 4 GLN HB3 1 1
6 1249 1 1 4 GLN HE21 H -11.298 -2.641 6.187 1.00 . A A . 4 GLN HE21 1 1
6 1250 1 1 4 GLN HE22 H -12.818 -2.428 5.384 1.00 . A A . 4 GLN HE22 1 1
6 1251 1 1 4 GLN HG2 H -9.287 -3.119 4.201 1.00 . A A . 4 GLN HG2 1 1
6 1252 1 1 4 GLN HG3 H -9.365 -1.821 5.377 1.00 . A A . 4 GLN HG3 1 1
6 1253 1 1 4 GLN N N -7.406 0.093 4.738 1.00 . A A . 4 GLN N 1 1
6 1254 1 1 4 GLN NE2 N -11.819 -2.412 5.364 1.00 . A A . 4 GLN NE2 1 1
6 1255 1 1 4 GLN O O -5.925 -1.247 1.951 1.00 . A A . 4 GLN O 1 1
6 1256 1 1 4 GLN OE1 O -11.742 -1.795 3.199 1.00 . A A . 4 GLN OE1 1 1
6 1257 1 1 5 . C C -4.741 1.193 1.174 1.00 . A A . 5 DIV C 1 1
6 1258 1 1 5 . CA C -6.246 1.326 0.936 1.00 . A A . 5 DIV CA 1 1
6 1259 1 1 5 . CB1 C -6.572 0.669 -0.406 1.00 . A A . 5 DIV CB1 1 1
6 1260 1 1 5 . CB2 C -6.586 2.816 0.887 1.00 . A A . 5 DIV CB2 1 1
6 1261 1 1 5 . CG1 C -8.037 0.835 -0.813 1.00 . A A . 5 DIV CG1 1 1
6 1262 1 1 5 . H H -7.805 1.276 2.316 1.00 . A A . 5 DIV H 1 1
6 1263 1 1 5 . HB11 H -6.362 -0.399 -0.347 1.00 . A A . 5 DIV HB11 1 1
6 1264 1 1 5 . HB12 H -5.958 1.115 -1.189 1.00 . A A . 5 DIV HB12 1 1
6 1265 1 1 5 . HB21 H -7.669 2.938 0.838 1.00 . A A . 5 DIV HB21 1 1
6 1266 1 1 5 . HB22 H -6.207 3.304 1.786 1.00 . A A . 5 DIV HB22 1 1
6 1267 1 1 5 . HB23 H -6.128 3.266 0.007 1.00 . A A . 5 DIV HB23 1 1
6 1268 1 1 5 . HG11 H -8.680 0.560 0.023 1.00 . A A . 5 DIV HG11 1 1
6 1269 1 1 5 . HG12 H -8.224 1.874 -1.086 1.00 . A A . 5 DIV HG12 1 1
6 1270 1 1 5 . HG13 H -8.255 0.191 -1.664 1.00 . A A . 5 DIV HG13 1 1
6 1271 1 1 5 . N N -7.043 0.718 1.987 1.00 . A A . 5 DIV N 1 1
6 1272 1 1 5 . O O -3.994 0.824 0.268 1.00 . A A . 5 DIV O 1 1
6 1273 1 1 6 ILE C C -2.452 -0.014 2.664 1.00 . A A . 6 ILE C 1 1
6 1274 1 1 6 ILE CA C -2.934 1.435 2.765 1.00 . A A . 6 ILE CA 1 1
6 1275 1 1 6 ILE CB C -2.709 2.063 4.141 1.00 . A A . 6 ILE CB 1 1
6 1276 1 1 6 ILE CD1 C -3.093 4.186 5.448 1.00 . A A . 6 ILE CD1 1 1
6 1277 1 1 6 ILE CG1 C -2.803 3.590 4.069 1.00 . A A . 6 ILE CG1 1 1
6 1278 1 1 6 ILE CG2 C -1.383 1.598 4.746 1.00 . A A . 6 ILE CG2 1 1
6 1279 1 1 6 ILE H H -4.954 1.788 3.134 1.00 . A A . 6 ILE H 1 1
6 1280 1 1 6 ILE HA H -2.380 2.034 2.042 1.00 . A A . 6 ILE HA 1 1
6 1281 1 1 6 ILE HB H -3.503 1.724 4.806 1.00 . A A . 6 ILE HB 1 1
6 1282 1 1 6 ILE HD11 H -3.965 3.695 5.879 1.00 . A A . 6 ILE HD11 1 1
6 1283 1 1 6 ILE HD12 H -2.232 4.035 6.098 1.00 . A A . 6 ILE HD12 1 1
6 1284 1 1 6 ILE HD13 H -3.290 5.254 5.347 1.00 . A A . 6 ILE HD13 1 1
6 1285 1 1 6 ILE HG12 H -1.869 3.996 3.683 1.00 . A A . 6 ILE HG12 1 1
6 1286 1 1 6 ILE HG13 H -3.589 3.876 3.372 1.00 . A A . 6 ILE HG13 1 1
6 1287 1 1 6 ILE HG21 H -1.186 2.157 5.661 1.00 . A A . 6 ILE HG21 1 1
6 1288 1 1 6 ILE HG22 H -1.442 0.535 4.976 1.00 . A A . 6 ILE HG22 1 1
6 1289 1 1 6 ILE HG23 H -0.577 1.772 4.032 1.00 . A A . 6 ILE HG23 1 1
6 1290 1 1 6 ILE N N -4.339 1.500 2.399 1.00 . A A . 6 ILE N 1 1
6 1291 1 1 6 ILE O O -1.488 -0.303 1.958 1.00 . A A . 6 ILE O 1 1
6 1292 1 1 7 THR C C -2.539 -2.884 2.099 1.00 . A A . 7 THR C 1 1
6 1293 1 1 7 THR CA C -2.721 -2.271 3.489 1.00 . A A . 7 THR CA 1 1
6 1294 1 1 7 THR CB C -3.744 -3.013 4.351 1.00 . A A . 7 THR CB 1 1
6 1295 1 1 7 THR CG2 C -3.393 -4.491 4.535 1.00 . A A . 7 THR CG2 1 1
6 1296 1 1 7 THR H H -3.982 -0.660 3.880 1.00 . A A . 7 THR H 1 1
6 1297 1 1 7 THR HA H -1.748 -2.294 3.978 1.00 . A A . 7 THR HA 1 1
6 1298 1 1 7 THR HB H -4.750 -2.899 3.946 1.00 . A A . 7 THR HB 1 1
6 1299 1 1 7 THR HG1 H -4.379 -1.911 5.895 1.00 . A A . 7 THR HG1 1 1
6 1300 1 1 7 THR HG21 H -4.084 -4.943 5.246 1.00 . A A . 7 THR HG21 1 1
6 1301 1 1 7 THR HG22 H -3.470 -5.004 3.576 1.00 . A A . 7 THR HG22 1 1
6 1302 1 1 7 THR HG23 H -2.374 -4.578 4.913 1.00 . A A . 7 THR HG23 1 1
6 1303 1 1 7 THR N N -3.146 -0.886 3.379 1.00 . A A . 7 THR N 1 1
6 1304 1 1 7 THR O O -1.558 -3.582 1.848 1.00 . A A . 7 THR O 1 1
6 1305 1 1 7 THR OG1 O -3.575 -2.452 5.650 1.00 . A A . 7 THR OG1 1 1
6 1306 1 1 8 ABA C C -2.291 -2.676 -0.942 1.00 . A A . 8 AIB C 1 1
6 1307 1 1 8 ABA CA C -3.483 -3.153 -0.111 1.00 . A A . 8 AIB CA 1 1
6 1308 1 1 8 ABA H H -4.278 -2.004 1.434 1.00 . A A . 8 AIB H 1 1
6 1309 1 1 8 ABA N N -3.500 -2.600 1.232 1.00 . A A . 8 AIB N 1 1
6 1310 1 1 8 ABA O O -1.736 -3.434 -1.735 1.00 . A A . 8 AIB O 1 1
6 1311 1 1 9 LEU C C 0.461 -1.007 -0.911 1.00 . A A . 9 LEU C 1 1
6 1312 1 1 9 LEU CA C -0.913 -0.783 -1.549 1.00 . A A . 9 LEU CA 1 1
6 1313 1 1 9 LEU CB C -1.251 0.691 -1.777 1.00 . A A . 9 LEU CB 1 1
6 1314 1 1 9 LEU CD1 C -2.939 2.434 -2.462 1.00 . A A . 9 LEU CD1 1 1
6 1315 1 1 9 LEU CD2 C -2.317 0.563 -4.059 1.00 . A A . 9 LEU CD2 1 1
6 1316 1 1 9 LEU CG C -2.512 0.972 -2.596 1.00 . A A . 9 LEU CG 1 1
6 1317 1 1 9 LEU H H -2.323 -0.837 -0.016 1.00 . A A . 9 LEU H 1 1
6 1318 1 1 9 LEU HA H -0.926 -1.271 -2.523 1.00 . A A . 9 LEU HA 1 1
6 1319 1 1 9 LEU HB2 H -1.358 1.174 -0.805 1.00 . A A . 9 LEU HB2 1 1
6 1320 1 1 9 LEU HB3 H -0.404 1.165 -2.276 1.00 . A A . 9 LEU HB3 1 1
6 1321 1 1 9 LEU HD11 H -3.710 2.657 -3.201 1.00 . A A . 9 LEU HD11 1 1
6 1322 1 1 9 LEU HD12 H -3.336 2.607 -1.461 1.00 . A A . 9 LEU HD12 1 1
6 1323 1 1 9 LEU HD13 H -2.079 3.081 -2.629 1.00 . A A . 9 LEU HD13 1 1
6 1324 1 1 9 LEU HD21 H -2.196 -0.519 -4.120 1.00 . A A . 9 LEU HD21 1 1
6 1325 1 1 9 LEU HD22 H -3.189 0.865 -4.639 1.00 . A A . 9 LEU HD22 1 1
6 1326 1 1 9 LEU HD23 H -1.429 1.051 -4.457 1.00 . A A . 9 LEU HD23 1 1
6 1327 1 1 9 LEU HG H -3.321 0.361 -2.197 1.00 . A A . 9 LEU HG 1 1
6 1328 1 1 9 LEU N N -1.931 -1.418 -0.730 1.00 . A A . 9 LEU N 1 1
6 1329 1 1 9 LEU O O 1.488 -0.842 -1.567 1.00 . A A . 9 LEU O 1 1
6 1330 1 1 10 ABA C C 2.800 -2.142 0.470 1.00 . A A . 10 AIB C 1 1
6 1331 1 1 10 ABA CA C 1.647 -1.407 1.158 1.00 . A A . 10 AIB CA 1 1
6 1332 1 1 10 ABA H H -0.396 -1.661 0.843 1.00 . A A . 10 AIB H 1 1
6 1333 1 1 10 ABA N N 0.433 -1.381 0.360 1.00 . A A . 10 AIB N 1 1
6 1334 1 1 10 ABA O O 3.901 -1.606 0.352 1.00 . A A . 10 AIB O 1 1
6 1335 1 1 11 HYP C C 3.998 -3.848 -1.873 1.00 . A A . 11 HYP C 1 1
6 1336 1 1 11 HYP CA C 3.536 -4.276 -0.478 1.00 . A A . 11 HYP CA 1 1
6 1337 1 1 11 HYP CB C 2.911 -5.662 -0.459 1.00 . A A . 11 HYP CB 1 1
6 1338 1 1 11 HYP CD C 1.166 -3.987 -0.024 1.00 . A A . 11 HYP CD 1 1
6 1339 1 1 11 HYP CG C 1.408 -5.441 -0.393 1.00 . A A . 11 HYP CG 1 1
6 1340 1 1 11 HYP HA H 4.416 -4.220 0.161 1.00 . A A . 11 HYP HA 1 1
6 1341 1 1 11 HYP HB2 H 3.184 -6.226 -1.351 1.00 . A A . 11 HYP HB2 1 1
6 1342 1 1 11 HYP HB3 H 3.259 -6.235 0.400 1.00 . A A . 11 HYP HB3 1 1
6 1343 1 1 11 HYP HD1 H 1.123 -7.211 0.617 1.00 . A A . 11 HYP HD1 1 1
6 1344 1 1 11 HYP HD22 H 0.535 -3.490 -0.761 1.00 . A A . 11 HYP HD22 1 1
6 1345 1 1 11 HYP HD23 H 0.662 -3.901 0.938 1.00 . A A . 11 HYP HD23 1 1
6 1346 1 1 11 HYP HG H 0.911 -5.715 -1.323 1.00 . A A . 11 HYP HG 1 1
6 1347 1 1 11 HYP N N 2.498 -3.389 0.020 1.00 . A A . 11 HYP N 1 1
6 1348 1 1 11 HYP O O 5.025 -4.317 -2.361 1.00 . A A . 11 HYP O 1 1
6 1349 1 1 11 HYP OD1 O 0.925 -6.242 0.766 1.00 . A A . 11 HYP OD1 1 1
6 1350 1 1 12 GLN C C 4.384 -1.368 -3.921 1.00 . A A . 12 GLN C 1 1
6 1351 1 1 12 GLN CA C 3.449 -2.579 -3.856 1.00 . A A . 12 GLN CA 1 1
6 1352 1 1 12 GLN CB C 2.129 -2.291 -4.574 1.00 . A A . 12 GLN CB 1 1
6 1353 1 1 12 GLN CD C -0.011 -3.307 -5.441 1.00 . A A . 12 GLN CD 1 1
6 1354 1 1 12 GLN CG C 1.207 -3.512 -4.538 1.00 . A A . 12 GLN CG 1 1
6 1355 1 1 12 GLN H H 2.440 -2.513 -2.036 1.00 . A A . 12 GLN H 1 1
6 1356 1 1 12 GLN HA H 3.927 -3.441 -4.321 1.00 . A A . 12 GLN HA 1 1
6 1357 1 1 12 GLN HB2 H 1.632 -1.442 -4.104 1.00 . A A . 12 GLN HB2 1 1
6 1358 1 1 12 GLN HB3 H 2.327 -2.011 -5.609 1.00 . A A . 12 GLN HB3 1 1
6 1359 1 1 12 GLN HE21 H 1.107 -3.929 -7.010 1.00 . A A . 12 GLN HE21 1 1
6 1360 1 1 12 GLN HE22 H -0.529 -3.503 -7.389 1.00 . A A . 12 GLN HE22 1 1
6 1361 1 1 12 GLN HG2 H 1.757 -4.396 -4.858 1.00 . A A . 12 GLN HG2 1 1
6 1362 1 1 12 GLN HG3 H 0.879 -3.693 -3.515 1.00 . A A . 12 GLN HG3 1 1
6 1363 1 1 12 GLN N N 3.217 -2.963 -2.475 1.00 . A A . 12 GLN N 1 1
6 1364 1 1 12 GLN NE2 N 0.207 -3.604 -6.719 1.00 . A A . 12 GLN NE2 1 1
6 1365 1 1 12 GLN O O 5.108 -1.191 -4.900 1.00 . A A . 12 GLN O 1 1
6 1366 1 1 12 GLN OE1 O -1.078 -2.906 -5.007 1.00 . A A . 12 GLN OE1 1 1
6 1367 1 1 13 ABA C C 6.483 0.623 -3.268 1.00 . A A . 13 AIB C 1 1
6 1368 1 1 13 ABA CA C 5.008 0.721 -2.875 1.00 . A A . 13 AIB CA 1 1
6 1369 1 1 13 ABA H H 3.852 -0.787 -2.019 1.00 . A A . 13 AIB H 1 1
6 1370 1 1 13 ABA N N 4.336 -0.568 -2.867 1.00 . A A . 13 AIB N 1 1
6 1371 1 1 13 ABA O O 6.940 1.333 -4.163 1.00 . A A . 13 AIB O 1 1
6 1372 1 1 14 HYP C C 9.151 -0.882 -3.947 1.00 . A A . 14 HYP C 1 1
6 1373 1 1 14 HYP CA C 8.659 -0.297 -2.621 1.00 . A A . 14 HYP CA 1 1
6 1374 1 1 14 HYP CB C 9.095 -1.111 -1.415 1.00 . A A . 14 HYP CB 1 1
6 1375 1 1 14 HYP CD C 6.664 -1.328 -1.695 1.00 . A A . 14 HYP CD 1 1
6 1376 1 1 14 HYP CG C 7.876 -1.914 -0.990 1.00 . A A . 14 HYP CG 1 1
6 1377 1 1 14 HYP HA H 9.043 0.722 -2.582 1.00 . A A . 14 HYP HA 1 1
6 1378 1 1 14 HYP HB2 H 9.927 -1.769 -1.667 1.00 . A A . 14 HYP HB2 1 1
6 1379 1 1 14 HYP HB3 H 9.436 -0.462 -0.608 1.00 . A A . 14 HYP HB3 1 1
6 1380 1 1 14 HYP HD1 H 7.520 -0.653 0.598 1.00 . A A . 14 HYP HD1 1 1
6 1381 1 1 14 HYP HD22 H 6.135 -2.088 -2.270 1.00 . A A . 14 HYP HD22 1 1
6 1382 1 1 14 HYP HD23 H 5.951 -0.915 -0.981 1.00 . A A . 14 HYP HD23 1 1
6 1383 1 1 14 HYP HG H 7.994 -2.978 -1.193 1.00 . A A . 14 HYP HG 1 1
6 1384 1 1 14 HYP N N 7.207 -0.287 -2.563 1.00 . A A . 14 HYP N 1 1
6 1385 1 1 14 HYP O O 10.253 -0.571 -4.396 1.00 . A A . 14 HYP O 1 1
6 1386 1 1 14 HYP OD1 O 7.683 -1.630 0.460 1.00 . A A . 14 HYP OD1 1 1
6 1387 1 1 15 ABA C C 9.647 -2.032 -6.610 1.00 . A A . 15 AIB C 1 1
6 1388 1 1 15 ABA CA C 8.774 -2.673 -5.529 1.00 . A A . 15 AIB CA 1 1
6 1389 1 1 15 ABA H H 7.328 -1.752 -4.345 1.00 . A A . 15 AIB H 1 1
6 1390 1 1 15 ABA N N 8.309 -1.719 -4.536 1.00 . A A . 15 AIB N 1 1
6 1391 1 1 15 ABA O O 10.788 -2.442 -6.816 1.00 . A A . 15 AIB O 1 1
6 1392 1 1 16 PRO C C 10.872 0.277 -8.343 1.00 . A A . 16 PRO C 1 1
6 1393 1 1 16 PRO CA C 9.601 -0.548 -8.557 1.00 . A A . 16 PRO CA 1 1
6 1394 1 1 16 PRO CB C 8.477 0.249 -9.197 1.00 . A A . 16 PRO CB 1 1
6 1395 1 1 16 PRO CD C 7.873 -0.271 -6.872 1.00 . A A . 16 PRO CD 1 1
6 1396 1 1 16 PRO CG C 7.517 0.594 -8.070 1.00 . A A . 16 PRO CG 1 1
6 1397 1 1 16 PRO HA H 9.873 -1.326 -9.123 1.00 . A A . 16 PRO HA 1 1
6 1398 1 1 16 PRO HB2 H 8.859 1.152 -9.674 1.00 . A A . 16 PRO HB2 1 1
6 1399 1 1 16 PRO HB3 H 7.977 -0.333 -9.971 1.00 . A A . 16 PRO HB3 1 1
6 1400 1 1 16 PRO HD2 H 8.075 0.337 -5.990 1.00 . A A . 16 PRO HD2 1 1
6 1401 1 1 16 PRO HD3 H 7.057 -0.946 -6.614 1.00 . A A . 16 PRO HD3 1 1
6 1402 1 1 16 PRO HG2 H 7.594 1.651 -7.814 1.00 . A A . 16 PRO HG2 1 1
6 1403 1 1 16 PRO HG3 H 6.487 0.415 -8.377 1.00 . A A . 16 PRO HG3 1 1
6 1404 1 1 16 PRO N N 9.062 -1.010 -7.290 1.00 . A A . 16 PRO N 1 1
6 1405 1 1 16 PRO O O 11.651 0.477 -9.274 1.00 . A A . 16 PRO O 1 1
6 1406 1 1 17 PHL C C 12.806 0.905 -5.408 1.00 . A A . 17 PHL C 1 1
6 1407 1 1 17 PHL CA C 12.258 1.435 -6.734 1.00 . A A . 17 PHL CA 1 1
6 1408 1 1 17 PHL CB C 11.890 2.911 -6.566 1.00 . A A . 17 PHL CB 1 1
6 1409 1 1 17 PHL CD1 C 12.517 4.230 -8.600 1.00 . A A . 17 PHL CD1 1 1
6 1410 1 1 17 PHL CD2 C 10.255 3.634 -8.320 1.00 . A A . 17 PHL CD2 1 1
6 1411 1 1 17 PHL CE1 C 12.194 4.887 -9.817 1.00 . A A . 17 PHL CE1 1 1
6 1412 1 1 17 PHL CE2 C 9.932 4.291 -9.537 1.00 . A A . 17 PHL CE2 1 1
6 1413 1 1 17 PHL CG C 11.541 3.618 -7.877 1.00 . A A . 17 PHL CG 1 1
6 1414 1 1 17 PHL CZ C 10.908 4.904 -10.259 1.00 . A A . 17 PHL CZ 1 1
6 1415 1 1 17 PHL H2 H 10.367 0.634 -6.379 1.00 . A A . 17 PHL H2 1 1
6 1416 1 1 17 PHL HA H 12.988 1.262 -7.523 1.00 . A A . 17 PHL HA 1 1
6 1417 1 1 17 PHL HB2 H 11.040 2.989 -5.886 1.00 . A A . 17 PHL HB2 1 1
6 1418 1 1 17 PHL HB3 H 12.723 3.432 -6.095 1.00 . A A . 17 PHL HB3 1 1
6 1419 1 1 17 PHL HC1 H 12.184 1.276 -4.592 1.00 . A A . 17 PHL HC1 1 1
6 1420 1 1 17 PHL HC2 H 13.832 1.255 -5.283 1.00 . A A . 17 PHL HC2 1 1
6 1421 1 1 17 PHL HD1 H 13.547 4.218 -8.245 1.00 . A A . 17 PHL HD1 1 1
6 1422 1 1 17 PHL HD2 H 9.473 3.144 -7.741 1.00 . A A . 17 PHL HD2 1 1
6 1423 1 1 17 PHL HE1 H 12.976 5.378 -10.396 1.00 . A A . 17 PHL HE1 1 1
6 1424 1 1 17 PHL HE2 H 8.902 4.304 -9.892 1.00 . A A . 17 PHL HE2 1 1
6 1425 1 1 17 PHL HO H 11.870 -0.860 -5.307 1.00 . A A . 17 PHL HO 1 1
6 1426 1 1 17 PHL HZ H 10.660 5.408 -11.194 1.00 . A A . 17 PHL HZ 1 1
6 1427 1 1 17 PHL N N 11.041 0.735 -7.111 1.00 . A A . 17 PHL N 1 1
6 1428 1 1 17 PHL O O 12.808 -0.519 -5.362 1.00 . A A . 17 PHL O 1 1
7 1429 1 1 1 ACE C C -9.831 2.690 4.007 1.00 . A A . 1 ACE C 1 1
7 1430 1 1 1 ACE CH3 C -11.188 2.166 4.327 1.00 . A A . 1 ACE CH3 1 1
7 1431 1 1 1 ACE H1 H -11.198 1.776 5.344 1.00 . A A . 1 ACE H1 1 1
7 1432 1 1 1 ACE H2 H -11.919 2.970 4.239 1.00 . A A . 1 ACE H2 1 1
7 1433 1 1 1 ACE H3 H -11.442 1.367 3.630 1.00 . A A . 1 ACE H3 1 1
7 1434 1 1 1 ACE O O -9.184 2.221 3.073 1.00 . A A . 1 ACE O 1 1
7 1435 1 1 2 TRP C C -7.080 3.056 4.940 1.00 . A A . 2 TRP C 1 1
7 1436 1 1 2 TRP CA C -8.062 4.199 4.676 1.00 . A A . 2 TRP CA 1 1
7 1437 1 1 2 TRP CB C -7.857 5.393 5.609 1.00 . A A . 2 TRP CB 1 1
7 1438 1 1 2 TRP CD1 C -9.395 7.446 5.326 1.00 . A A . 2 TRP CD1 1 1
7 1439 1 1 2 TRP CD2 C -7.625 7.489 3.995 1.00 . A A . 2 TRP CD2 1 1
7 1440 1 1 2 TRP CE2 C -8.357 8.632 3.745 1.00 . A A . 2 TRP CE2 1 1
7 1441 1 1 2 TRP CE3 C -6.431 7.218 3.303 1.00 . A A . 2 TRP CE3 1 1
7 1442 1 1 2 TRP CG C -8.305 6.730 5.017 1.00 . A A . 2 TRP CG 1 1
7 1443 1 1 2 TRP CH2 C -6.791 9.346 2.101 1.00 . A A . 2 TRP CH2 1 1
7 1444 1 1 2 TRP CZ2 C -7.977 9.594 2.802 1.00 . A A . 2 TRP CZ2 1 1
7 1445 1 1 2 TRP CZ3 C -6.066 8.190 2.364 1.00 . A A . 2 TRP CZ3 1 1
7 1446 1 1 2 TRP H H -9.971 4.097 5.504 1.00 . A A . 2 TRP H 1 1
7 1447 1 1 2 TRP HA H -7.939 4.568 3.657 1.00 . A A . 2 TRP HA 1 1
7 1448 1 1 2 TRP HB2 H -8.405 5.216 6.535 1.00 . A A . 2 TRP HB2 1 1
7 1449 1 1 2 TRP HB3 H -6.801 5.459 5.872 1.00 . A A . 2 TRP HB3 1 1
7 1450 1 1 2 TRP HD1 H -10.132 7.150 6.072 1.00 . A A . 2 TRP HD1 1 1
7 1451 1 1 2 TRP HE1 H -10.252 9.360 4.636 1.00 . A A . 2 TRP HE1 1 1
7 1452 1 1 2 TRP HE3 H -5.835 6.323 3.481 1.00 . A A . 2 TRP HE3 1 1
7 1453 1 1 2 TRP HH2 H -6.438 10.056 1.353 1.00 . A A . 2 TRP HH2 1 1
7 1454 1 1 2 TRP HZ2 H -8.573 10.490 2.624 1.00 . A A . 2 TRP HZ2 1 1
7 1455 1 1 2 TRP HZ3 H -5.147 8.029 1.800 1.00 . A A . 2 TRP HZ3 1 1
7 1456 1 1 2 TRP N N -9.409 3.668 4.795 1.00 . A A . 2 TRP N 1 1
7 1457 1 1 2 TRP NE1 N -9.468 8.605 4.580 1.00 . A A . 2 TRP NE1 1 1
7 1458 1 1 2 TRP O O -6.131 2.860 4.182 1.00 . A A . 2 TRP O 1 1
7 1459 1 1 3 ILE C C -6.351 0.214 5.345 1.00 . A A . 3 ILE C 1 1
7 1460 1 1 3 ILE CA C -6.442 1.273 6.445 1.00 . A A . 3 ILE CA 1 1
7 1461 1 1 3 ILE CB C -6.877 0.715 7.802 1.00 . A A . 3 ILE CB 1 1
7 1462 1 1 3 ILE CD1 C -4.529 0.590 8.714 1.00 . A A . 3 ILE CD1 1 1
7 1463 1 1 3 ILE CG1 C -5.799 -0.199 8.389 1.00 . A A . 3 ILE CG1 1 1
7 1464 1 1 3 ILE CG2 C -8.230 0.011 7.696 1.00 . A A . 3 ILE CG2 1 1
7 1465 1 1 3 ILE H H -8.147 2.460 6.597 1.00 . A A . 3 ILE H 1 1
7 1466 1 1 3 ILE HA H -5.455 1.717 6.580 1.00 . A A . 3 ILE HA 1 1
7 1467 1 1 3 ILE HB H -7.001 1.550 8.491 1.00 . A A . 3 ILE HB 1 1
7 1468 1 1 3 ILE HD11 H -3.962 0.759 7.799 1.00 . A A . 3 ILE HD11 1 1
7 1469 1 1 3 ILE HD12 H -4.800 1.548 9.157 1.00 . A A . 3 ILE HD12 1 1
7 1470 1 1 3 ILE HD13 H -3.920 0.022 9.420 1.00 . A A . 3 ILE HD13 1 1
7 1471 1 1 3 ILE HG12 H -6.176 -0.677 9.293 1.00 . A A . 3 ILE HG12 1 1
7 1472 1 1 3 ILE HG13 H -5.567 -0.994 7.681 1.00 . A A . 3 ILE HG13 1 1
7 1473 1 1 3 ILE HG21 H -8.163 -0.801 6.972 1.00 . A A . 3 ILE HG21 1 1
7 1474 1 1 3 ILE HG22 H -8.507 -0.393 8.670 1.00 . A A . 3 ILE HG22 1 1
7 1475 1 1 3 ILE HG23 H -8.988 0.725 7.371 1.00 . A A . 3 ILE HG23 1 1
7 1476 1 1 3 ILE N N -7.341 2.333 6.019 1.00 . A A . 3 ILE N 1 1
7 1477 1 1 3 ILE O O -5.305 -0.406 5.159 1.00 . A A . 3 ILE O 1 1
7 1478 1 1 4 GLN C C -6.688 -0.445 2.370 1.00 . A A . 4 GLN C 1 1
7 1479 1 1 4 GLN CA C -7.518 -0.930 3.561 1.00 . A A . 4 GLN CA 1 1
7 1480 1 1 4 GLN CB C -8.965 -1.203 3.147 1.00 . A A . 4 GLN CB 1 1
7 1481 1 1 4 GLN CD C -11.129 -2.318 3.806 1.00 . A A . 4 GLN CD 1 1
7 1482 1 1 4 GLN CG C -9.637 -2.179 4.115 1.00 . A A . 4 GLN CG 1 1
7 1483 1 1 4 GLN H H -8.308 0.546 4.801 1.00 . A A . 4 GLN H 1 1
7 1484 1 1 4 GLN HA H -7.083 -1.842 3.967 1.00 . A A . 4 GLN HA 1 1
7 1485 1 1 4 GLN HB2 H -9.523 -0.268 3.122 1.00 . A A . 4 GLN HB2 1 1
7 1486 1 1 4 GLN HB3 H -8.986 -1.615 2.137 1.00 . A A . 4 GLN HB3 1 1
7 1487 1 1 4 GLN HE21 H -11.263 -3.683 5.295 1.00 . A A . 4 GLN HE21 1 1
7 1488 1 1 4 GLN HE22 H -12.744 -3.349 4.461 1.00 . A A . 4 GLN HE22 1 1
7 1489 1 1 4 GLN HG2 H -9.156 -3.154 4.047 1.00 . A A . 4 GLN HG2 1 1
7 1490 1 1 4 GLN HG3 H -9.505 -1.829 5.139 1.00 . A A . 4 GLN HG3 1 1
7 1491 1 1 4 GLN N N -7.461 0.040 4.642 1.00 . A A . 4 GLN N 1 1
7 1492 1 1 4 GLN NE2 N -11.764 -3.189 4.585 1.00 . A A . 4 GLN NE2 1 1
7 1493 1 1 4 GLN O O -5.868 -1.190 1.837 1.00 . A A . 4 GLN O 1 1
7 1494 1 1 4 GLN OE1 O -11.668 -1.677 2.919 1.00 . A A . 4 GLN OE1 1 1
7 1495 1 1 5 . C C -4.622 1.283 1.198 1.00 . A A . 5 DIV C 1 1
7 1496 1 1 5 . CA C -6.126 1.439 0.962 1.00 . A A . 5 DIV CA 1 1
7 1497 1 1 5 . CB1 C -6.455 0.835 -0.405 1.00 . A A . 5 DIV CB1 1 1
7 1498 1 1 5 . CB2 C -6.452 2.932 0.967 1.00 . A A . 5 DIV CB2 1 1
7 1499 1 1 5 . CG1 C -7.935 0.958 -0.772 1.00 . A A . 5 DIV CG1 1 1
7 1500 1 1 5 . H H -7.662 1.369 2.366 1.00 . A A . 5 DIV H 1 1
7 1501 1 1 5 . HB11 H -6.199 -0.225 -0.403 1.00 . A A . 5 DIV HB11 1 1
7 1502 1 1 5 . HB12 H -5.878 1.345 -1.176 1.00 . A A . 5 DIV HB12 1 1
7 1503 1 1 5 . HB21 H -7.534 3.067 0.977 1.00 . A A . 5 DIV HB21 1 1
7 1504 1 1 5 . HB22 H -6.022 3.394 1.857 1.00 . A A . 5 DIV HB22 1 1
7 1505 1 1 5 . HB23 H -6.034 3.400 0.076 1.00 . A A . 5 DIV HB23 1 1
7 1506 1 1 5 . HG11 H -8.121 0.437 -1.711 1.00 . A A . 5 DIV HG11 1 1
7 1507 1 1 5 . HG12 H -8.543 0.513 0.016 1.00 . A A . 5 DIV HG12 1 1
7 1508 1 1 5 . HG13 H -8.197 2.009 -0.882 1.00 . A A . 5 DIV HG13 1 1
7 1509 1 1 5 . N N -6.932 0.800 1.988 1.00 . A A . 5 DIV N 1 1
7 1510 1 1 5 . O O -3.882 0.913 0.288 1.00 . A A . 5 DIV O 1 1
7 1511 1 1 6 ILE C C -2.360 0.028 2.726 1.00 . A A . 6 ILE C 1 1
7 1512 1 1 6 ILE CA C -2.812 1.488 2.789 1.00 . A A . 6 ILE CA 1 1
7 1513 1 1 6 ILE CB C -2.570 2.150 4.147 1.00 . A A . 6 ILE CB 1 1
7 1514 1 1 6 ILE CD1 C -3.472 4.460 3.690 1.00 . A A . 6 ILE CD1 1 1
7 1515 1 1 6 ILE CG1 C -2.219 3.630 3.981 1.00 . A A . 6 ILE CG1 1 1
7 1516 1 1 6 ILE CG2 C -1.502 1.394 4.942 1.00 . A A . 6 ILE CG2 1 1
7 1517 1 1 6 ILE H H -4.827 1.858 3.164 1.00 . A A . 6 ILE H 1 1
7 1518 1 1 6 ILE HA H -2.249 2.057 2.049 1.00 . A A . 6 ILE HA 1 1
7 1519 1 1 6 ILE HB H -3.495 2.100 4.721 1.00 . A A . 6 ILE HB 1 1
7 1520 1 1 6 ILE HD11 H -3.199 5.512 3.605 1.00 . A A . 6 ILE HD11 1 1
7 1521 1 1 6 ILE HD12 H -3.922 4.124 2.756 1.00 . A A . 6 ILE HD12 1 1
7 1522 1 1 6 ILE HD13 H -4.187 4.335 4.505 1.00 . A A . 6 ILE HD13 1 1
7 1523 1 1 6 ILE HG12 H -1.738 3.997 4.887 1.00 . A A . 6 ILE HG12 1 1
7 1524 1 1 6 ILE HG13 H -1.504 3.750 3.168 1.00 . A A . 6 ILE HG13 1 1
7 1525 1 1 6 ILE HG21 H -0.607 1.280 4.330 1.00 . A A . 6 ILE HG21 1 1
7 1526 1 1 6 ILE HG22 H -1.257 1.955 5.845 1.00 . A A . 6 ILE HG22 1 1
7 1527 1 1 6 ILE HG23 H -1.882 0.411 5.217 1.00 . A A . 6 ILE HG23 1 1
7 1528 1 1 6 ILE N N -4.216 1.571 2.426 1.00 . A A . 6 ILE N 1 1
7 1529 1 1 6 ILE O O -1.323 -0.280 2.141 1.00 . A A . 6 ILE O 1 1
7 1530 1 1 7 THR C C -2.567 -2.860 2.099 1.00 . A A . 7 THR C 1 1
7 1531 1 1 7 THR CA C -2.790 -2.231 3.475 1.00 . A A . 7 THR CA 1 1
7 1532 1 1 7 THR CB C -3.876 -2.930 4.294 1.00 . A A . 7 THR CB 1 1
7 1533 1 1 7 THR CG2 C -3.651 -4.440 4.398 1.00 . A A . 7 THR CG2 1 1
7 1534 1 1 7 THR H H -4.044 -0.588 3.736 1.00 . A A . 7 THR H 1 1
7 1535 1 1 7 THR HA H -1.840 -2.285 4.009 1.00 . A A . 7 THR HA 1 1
7 1536 1 1 7 THR HB H -4.866 -2.710 3.894 1.00 . A A . 7 THR HB 1 1
7 1537 1 1 7 THR HG1 H -3.920 -1.490 5.683 1.00 . A A . 7 THR HG1 1 1
7 1538 1 1 7 THR HG21 H -2.583 -4.653 4.351 1.00 . A A . 7 THR HG21 1 1
7 1539 1 1 7 THR HG22 H -4.053 -4.803 5.344 1.00 . A A . 7 THR HG22 1 1
7 1540 1 1 7 THR HG23 H -4.158 -4.940 3.573 1.00 . A A . 7 THR HG23 1 1
7 1541 1 1 7 THR N N -3.159 -0.833 3.339 1.00 . A A . 7 THR N 1 1
7 1542 1 1 7 THR O O -1.612 -3.611 1.902 1.00 . A A . 7 THR O 1 1
7 1543 1 1 7 THR OG1 O -3.669 -2.457 5.622 1.00 . A A . 7 THR OG1 1 1
7 1544 1 1 8 ABA C C -2.199 -2.545 -0.961 1.00 . A A . 8 AIB C 1 1
7 1545 1 1 8 ABA CA C -3.392 -3.077 -0.165 1.00 . A A . 8 AIB CA 1 1
7 1546 1 1 8 ABA H H -4.228 -1.908 1.344 1.00 . A A . 8 AIB H 1 1
7 1547 1 1 8 ABA N N -3.463 -2.532 1.181 1.00 . A A . 8 AIB N 1 1
7 1548 1 1 8 ABA O O -1.654 -3.246 -1.813 1.00 . A A . 8 AIB O 1 1
7 1549 1 1 9 LEU C C 0.572 -0.930 -0.775 1.00 . A A . 9 LEU C 1 1
7 1550 1 1 9 LEU CA C -0.787 -0.633 -1.411 1.00 . A A . 9 LEU CA 1 1
7 1551 1 1 9 LEU CB C -1.097 0.860 -1.532 1.00 . A A . 9 LEU CB 1 1
7 1552 1 1 9 LEU CD1 C -2.651 2.706 -2.266 1.00 . A A . 9 LEU CD1 1 1
7 1553 1 1 9 LEU CD2 C -2.010 0.858 -3.883 1.00 . A A . 9 LEU CD2 1 1
7 1554 1 1 9 LEU CG C -2.285 1.229 -2.424 1.00 . A A . 9 LEU CG 1 1
7 1555 1 1 9 LEU H H -2.227 -0.774 0.088 1.00 . A A . 9 LEU H 1 1
7 1556 1 1 9 LEU HA H -0.794 -1.046 -2.420 1.00 . A A . 9 LEU HA 1 1
7 1557 1 1 9 LEU HB2 H -1.283 1.255 -0.533 1.00 . A A . 9 LEU HB2 1 1
7 1558 1 1 9 LEU HB3 H -0.211 1.365 -1.915 1.00 . A A . 9 LEU HB3 1 1
7 1559 1 1 9 LEU HD11 H -3.528 2.929 -2.873 1.00 . A A . 9 LEU HD11 1 1
7 1560 1 1 9 LEU HD12 H -2.870 2.916 -1.219 1.00 . A A . 9 LEU HD12 1 1
7 1561 1 1 9 LEU HD13 H -1.815 3.325 -2.593 1.00 . A A . 9 LEU HD13 1 1
7 1562 1 1 9 LEU HD21 H -2.708 1.390 -4.530 1.00 . A A . 9 LEU HD21 1 1
7 1563 1 1 9 LEU HD22 H -0.990 1.138 -4.143 1.00 . A A . 9 LEU HD22 1 1
7 1564 1 1 9 LEU HD23 H -2.138 -0.216 -4.015 1.00 . A A . 9 LEU HD23 1 1
7 1565 1 1 9 LEU HG H -3.149 0.648 -2.100 1.00 . A A . 9 LEU HG 1 1
7 1566 1 1 9 LEU N N -1.829 -1.310 -0.657 1.00 . A A . 9 LEU N 1 1
7 1567 1 1 9 LEU O O 1.610 -0.755 -1.410 1.00 . A A . 9 LEU O 1 1
7 1568 1 1 10 ABA C C 2.849 -2.246 0.562 1.00 . A A . 10 AIB C 1 1
7 1569 1 1 10 ABA CA C 1.727 -1.488 1.275 1.00 . A A . 10 AIB CA 1 1
7 1570 1 1 10 ABA H H -0.322 -1.648 0.934 1.00 . A A . 10 AIB H 1 1
7 1571 1 1 10 ABA N N 0.521 -1.372 0.473 1.00 . A A . 10 AIB N 1 1
7 1572 1 1 10 ABA O O 3.974 -1.757 0.473 1.00 . A A . 10 AIB O 1 1
7 1573 1 1 11 HYP C C 3.960 -3.892 -1.865 1.00 . A A . 11 HYP C 1 1
7 1574 1 1 11 HYP CA C 3.489 -4.363 -0.488 1.00 . A A . 11 HYP CA 1 1
7 1575 1 1 11 HYP CB C 2.810 -5.722 -0.526 1.00 . A A . 11 HYP CB 1 1
7 1576 1 1 11 HYP CD C 1.138 -3.999 -0.001 1.00 . A A . 11 HYP CD 1 1
7 1577 1 1 11 HYP CG C 1.318 -5.443 -0.438 1.00 . A A . 11 HYP CG 1 1
7 1578 1 1 11 HYP HA H 4.377 -4.373 0.146 1.00 . A A . 11 HYP HA 1 1
7 1579 1 1 11 HYP HB2 H 3.053 -6.255 -1.444 1.00 . A A . 11 HYP HB2 1 1
7 1580 1 1 11 HYP HB3 H 3.139 -6.347 0.303 1.00 . A A . 11 HYP HB3 1 1
7 1581 1 1 11 HYP HD1 H -0.149 -6.514 0.532 1.00 . A A . 11 HYP HD1 1 1
7 1582 1 1 11 HYP HD22 H 0.522 -3.445 -0.709 1.00 . A A . 11 HYP HD22 1 1
7 1583 1 1 11 HYP HD23 H 0.643 -3.936 0.969 1.00 . A A . 11 HYP HD23 1 1
7 1584 1 1 11 HYP HG H 0.804 -5.655 -1.375 1.00 . A A . 11 HYP HG 1 1
7 1585 1 1 11 HYP N N 2.493 -3.459 0.059 1.00 . A A . 11 HYP N 1 1
7 1586 1 1 11 HYP O O 4.975 -4.365 -2.375 1.00 . A A . 11 HYP O 1 1
7 1587 1 1 11 HYP OD1 O 0.810 -6.276 0.688 1.00 . A A . 11 HYP OD1 1 1
7 1588 1 1 12 GLN C C 4.384 -1.331 -3.817 1.00 . A A . 12 GLN C 1 1
7 1589 1 1 12 GLN CA C 3.438 -2.532 -3.796 1.00 . A A . 12 GLN CA 1 1
7 1590 1 1 12 GLN CB C 2.122 -2.206 -4.504 1.00 . A A . 12 GLN CB 1 1
7 1591 1 1 12 GLN CD C -0.077 -3.128 -5.325 1.00 . A A . 12 GLN CD 1 1
7 1592 1 1 12 GLN CG C 1.193 -3.422 -4.524 1.00 . A A . 12 GLN CG 1 1
7 1593 1 1 12 GLN H H 2.437 -2.512 -1.970 1.00 . A A . 12 GLN H 1 1
7 1594 1 1 12 GLN HA H 3.909 -3.382 -4.291 1.00 . A A . 12 GLN HA 1 1
7 1595 1 1 12 GLN HB2 H 1.629 -1.375 -3.999 1.00 . A A . 12 GLN HB2 1 1
7 1596 1 1 12 GLN HB3 H 2.324 -1.881 -5.525 1.00 . A A . 12 GLN HB3 1 1
7 1597 1 1 12 GLN HE21 H -1.143 -3.319 -3.615 1.00 . A A . 12 GLN HE21 1 1
7 1598 1 1 12 GLN HE22 H -2.072 -2.953 -5.031 1.00 . A A . 12 GLN HE22 1 1
7 1599 1 1 12 GLN HG2 H 1.715 -4.273 -4.961 1.00 . A A . 12 GLN HG2 1 1
7 1600 1 1 12 GLN HG3 H 0.929 -3.698 -3.504 1.00 . A A . 12 GLN HG3 1 1
7 1601 1 1 12 GLN N N 3.201 -2.964 -2.430 1.00 . A A . 12 GLN N 1 1
7 1602 1 1 12 GLN NE2 N -1.190 -3.134 -4.596 1.00 . A A . 12 GLN NE2 1 1
7 1603 1 1 12 GLN O O 5.107 -1.121 -4.790 1.00 . A A . 12 GLN O 1 1
7 1604 1 1 12 GLN OE1 O -0.049 -2.911 -6.526 1.00 . A A . 12 GLN OE1 1 1
7 1605 1 1 13 ABA C C 6.500 0.607 -3.151 1.00 . A A . 13 AIB C 1 1
7 1606 1 1 13 ABA CA C 5.046 0.703 -2.686 1.00 . A A . 13 AIB CA 1 1
7 1607 1 1 13 ABA H H 3.861 -0.816 -1.893 1.00 . A A . 13 AIB H 1 1
7 1608 1 1 13 ABA N N 4.351 -0.572 -2.730 1.00 . A A . 13 AIB N 1 1
7 1609 1 1 13 ABA O O 6.914 1.326 -4.060 1.00 . A A . 13 AIB O 1 1
7 1610 1 1 14 HYP C C 9.142 -0.877 -3.963 1.00 . A A . 14 HYP C 1 1
7 1611 1 1 14 HYP CA C 8.704 -0.314 -2.610 1.00 . A A . 14 HYP CA 1 1
7 1612 1 1 14 HYP CB C 9.194 -1.144 -1.434 1.00 . A A . 14 HYP CB 1 1
7 1613 1 1 14 HYP CD C 6.754 -1.366 -1.616 1.00 . A A . 14 HYP CD 1 1
7 1614 1 1 14 HYP CG C 7.997 -1.957 -0.971 1.00 . A A . 14 HYP CG 1 1
7 1615 1 1 14 HYP HA H 9.086 0.707 -2.571 1.00 . A A . 14 HYP HA 1 1
7 1616 1 1 14 HYP HB2 H 10.017 -1.794 -1.732 1.00 . A A . 14 HYP HB2 1 1
7 1617 1 1 14 HYP HB3 H 9.566 -0.504 -0.633 1.00 . A A . 14 HYP HB3 1 1
7 1618 1 1 14 HYP HD1 H 8.624 -2.117 0.983 1.00 . A A . 14 HYP HD1 1 1
7 1619 1 1 14 HYP HD22 H 6.203 -2.119 -2.180 1.00 . A A . 14 HYP HD22 1 1
7 1620 1 1 14 HYP HD23 H 6.070 -0.966 -0.866 1.00 . A A . 14 HYP HD23 1 1
7 1621 1 1 14 HYP HG H 8.109 -3.018 -1.195 1.00 . A A . 14 HYP HG 1 1
7 1622 1 1 14 HYP N N 7.256 -0.311 -2.491 1.00 . A A . 14 HYP N 1 1
7 1623 1 1 14 HYP O O 10.221 -0.551 -4.456 1.00 . A A . 14 HYP O 1 1
7 1624 1 1 14 HYP OD1 O 7.863 -1.696 0.490 1.00 . A A . 14 HYP OD1 1 1
7 1625 1 1 15 ABA C C 9.540 -2.045 -6.647 1.00 . A A . 15 AIB C 1 1
7 1626 1 1 15 ABA CA C 8.717 -2.676 -5.522 1.00 . A A . 15 AIB CA 1 1
7 1627 1 1 15 ABA H H 7.304 -1.737 -4.313 1.00 . A A . 15 AIB H 1 1
7 1628 1 1 15 ABA N N 8.282 -1.712 -4.526 1.00 . A A . 15 AIB N 1 1
7 1629 1 1 15 ABA O O 10.656 -2.481 -6.926 1.00 . A A . 15 AIB O 1 1
7 1630 1 1 16 PRO C C 10.730 0.310 -8.342 1.00 . A A . 16 PRO C 1 1
7 1631 1 1 16 PRO CA C 9.448 -0.500 -8.545 1.00 . A A . 16 PRO CA 1 1
7 1632 1 1 16 PRO CB C 8.311 0.323 -9.127 1.00 . A A . 16 PRO CB 1 1
7 1633 1 1 16 PRO CD C 7.771 -0.266 -6.803 1.00 . A A . 16 PRO CD 1 1
7 1634 1 1 16 PRO CG C 7.385 0.639 -7.962 1.00 . A A . 16 PRO CG 1 1
7 1635 1 1 16 PRO HA H 9.698 -1.262 -9.143 1.00 . A A . 16 PRO HA 1 1
7 1636 1 1 16 PRO HB2 H 8.685 1.237 -9.587 1.00 . A A . 16 PRO HB2 1 1
7 1637 1 1 16 PRO HB3 H 7.785 -0.232 -9.904 1.00 . A A . 16 PRO HB3 1 1
7 1638 1 1 16 PRO HD2 H 8.002 0.314 -5.909 1.00 . A A . 16 PRO HD2 1 1
7 1639 1 1 16 PRO HD3 H 6.958 -0.944 -6.543 1.00 . A A . 16 PRO HD3 1 1
7 1640 1 1 16 PRO HG2 H 7.477 1.686 -7.676 1.00 . A A . 16 PRO HG2 1 1
7 1641 1 1 16 PRO HG3 H 6.347 0.474 -8.245 1.00 . A A . 16 PRO HG3 1 1
7 1642 1 1 16 PRO N N 8.942 -0.998 -7.278 1.00 . A A . 16 PRO N 1 1
7 1643 1 1 16 PRO O O 11.439 0.606 -9.303 1.00 . A A . 16 PRO O 1 1
7 1644 1 1 17 PHL C C 13.295 0.666 -6.239 1.00 . A A . 17 PHL C 1 1
7 1645 1 1 17 PHL CA C 12.118 1.496 -6.758 1.00 . A A . 17 PHL CA 1 1
7 1646 1 1 17 PHL CB C 11.656 2.449 -5.653 1.00 . A A . 17 PHL CB 1 1
7 1647 1 1 17 PHL CD1 C 9.244 3.089 -5.442 1.00 . A A . 17 PHL CD1 1 1
7 1648 1 1 17 PHL CD2 C 10.578 4.284 -6.972 1.00 . A A . 17 PHL CD2 1 1
7 1649 1 1 17 PHL CE1 C 8.123 3.886 -5.797 1.00 . A A . 17 PHL CE1 1 1
7 1650 1 1 17 PHL CE2 C 9.457 5.080 -7.328 1.00 . A A . 17 PHL CE2 1 1
7 1651 1 1 17 PHL CG C 10.447 3.306 -6.036 1.00 . A A . 17 PHL CG 1 1
7 1652 1 1 17 PHL CZ C 8.252 4.864 -6.733 1.00 . A A . 17 PHL CZ 1 1
7 1653 1 1 17 PHL H2 H 10.439 0.350 -6.305 1.00 . A A . 17 PHL H2 1 1
7 1654 1 1 17 PHL HA H 12.415 2.011 -7.671 1.00 . A A . 17 PHL HA 1 1
7 1655 1 1 17 PHL HB2 H 11.408 1.867 -4.765 1.00 . A A . 17 PHL HB2 1 1
7 1656 1 1 17 PHL HB3 H 12.482 3.105 -5.383 1.00 . A A . 17 PHL HB3 1 1
7 1657 1 1 17 PHL HC1 H 13.538 -0.101 -6.973 1.00 . A A . 17 PHL HC1 1 1
7 1658 1 1 17 PHL HC2 H 13.013 0.203 -5.293 1.00 . A A . 17 PHL HC2 1 1
7 1659 1 1 17 PHL HD1 H 9.140 2.306 -4.692 1.00 . A A . 17 PHL HD1 1 1
7 1660 1 1 17 PHL HD2 H 11.543 4.458 -7.449 1.00 . A A . 17 PHL HD2 1 1
7 1661 1 1 17 PHL HE1 H 7.158 3.712 -5.321 1.00 . A A . 17 PHL HE1 1 1
7 1662 1 1 17 PHL HE2 H 9.561 5.864 -8.077 1.00 . A A . 17 PHL HE2 1 1
7 1663 1 1 17 PHL HO H 14.432 2.271 -6.610 1.00 . A A . 17 PHL HO 1 1
7 1664 1 1 17 PHL HZ H 7.393 5.475 -7.006 1.00 . A A . 17 PHL HZ 1 1
7 1665 1 1 17 PHL N N 10.987 0.647 -7.087 1.00 . A A . 17 PHL N 1 1
7 1666 1 1 17 PHL O O 14.455 1.464 -6.020 1.00 . A A . 17 PHL O 1 1
8 1667 1 1 1 ACE C C -9.917 2.517 4.192 1.00 . A A . 1 ACE C 1 1
8 1668 1 1 1 ACE CH3 C -11.292 2.012 4.460 1.00 . A A . 1 ACE CH3 1 1
8 1669 1 1 1 ACE H1 H -11.994 2.845 4.448 1.00 . A A . 1 ACE H1 1 1
8 1670 1 1 1 ACE H2 H -11.571 1.291 3.691 1.00 . A A . 1 ACE H2 1 1
8 1671 1 1 1 ACE H3 H -11.318 1.529 5.437 1.00 . A A . 1 ACE H3 1 1
8 1672 1 1 1 ACE O O -9.241 2.038 3.282 1.00 . A A . 1 ACE O 1 1
8 1673 1 1 2 TRP C C -7.187 2.846 5.116 1.00 . A A . 2 TRP C 1 1
8 1674 1 1 2 TRP CA C -8.157 4.013 4.914 1.00 . A A . 2 TRP CA 1 1
8 1675 1 1 2 TRP CB C -7.947 5.147 5.919 1.00 . A A . 2 TRP CB 1 1
8 1676 1 1 2 TRP CD1 C -6.365 6.932 4.933 1.00 . A A . 2 TRP CD1 1 1
8 1677 1 1 2 TRP CD2 C -5.384 5.624 6.428 1.00 . A A . 2 TRP CD2 1 1
8 1678 1 1 2 TRP CE2 C -4.438 6.526 5.983 1.00 . A A . 2 TRP CE2 1 1
8 1679 1 1 2 TRP CE3 C -5.071 4.650 7.391 1.00 . A A . 2 TRP CE3 1 1
8 1680 1 1 2 TRP CG C -6.624 5.897 5.742 1.00 . A A . 2 TRP CG 1 1
8 1681 1 1 2 TRP CH2 C -2.783 5.579 7.407 1.00 . A A . 2 TRP CH2 1 1
8 1682 1 1 2 TRP CZ2 C -3.117 6.542 6.447 1.00 . A A . 2 TRP CZ2 1 1
8 1683 1 1 2 TRP CZ3 C -3.747 4.679 7.844 1.00 . A A . 2 TRP CZ3 1 1
8 1684 1 1 2 TRP H H -10.088 3.919 5.690 1.00 . A A . 2 TRP H 1 1
8 1685 1 1 2 TRP HA H -8.025 4.440 3.920 1.00 . A A . 2 TRP HA 1 1
8 1686 1 1 2 TRP HB2 H -8.769 5.856 5.829 1.00 . A A . 2 TRP HB2 1 1
8 1687 1 1 2 TRP HB3 H -7.988 4.737 6.928 1.00 . A A . 2 TRP HB3 1 1
8 1688 1 1 2 TRP HD1 H -7.098 7.390 4.269 1.00 . A A . 2 TRP HD1 1 1
8 1689 1 1 2 TRP HE1 H -4.586 8.166 4.499 1.00 . A A . 2 TRP HE1 1 1
8 1690 1 1 2 TRP HE3 H -5.800 3.927 7.757 1.00 . A A . 2 TRP HE3 1 1
8 1691 1 1 2 TRP HH2 H -1.770 5.536 7.810 1.00 . A A . 2 TRP HH2 1 1
8 1692 1 1 2 TRP HZ2 H -2.388 7.264 6.080 1.00 . A A . 2 TRP HZ2 1 1
8 1693 1 1 2 TRP HZ3 H -3.451 3.943 8.592 1.00 . A A . 2 TRP HZ3 1 1
8 1694 1 1 2 TRP N N -9.511 3.490 4.996 1.00 . A A . 2 TRP N 1 1
8 1695 1 1 2 TRP NE1 N -5.054 7.346 5.045 1.00 . A A . 2 TRP NE1 1 1
8 1696 1 1 2 TRP O O -6.240 2.683 4.348 1.00 . A A . 2 TRP O 1 1
8 1697 1 1 3 ILE C C -6.430 0.003 5.373 1.00 . A A . 3 ILE C 1 1
8 1698 1 1 3 ILE CA C -6.557 0.992 6.534 1.00 . A A . 3 ILE CA 1 1
8 1699 1 1 3 ILE CB C -7.018 0.348 7.843 1.00 . A A . 3 ILE CB 1 1
8 1700 1 1 3 ILE CD1 C -4.688 0.234 8.802 1.00 . A A . 3 ILE CD1 1 1
8 1701 1 1 3 ILE CG1 C -5.933 -0.567 8.416 1.00 . A A . 3 ILE CG1 1 1
8 1702 1 1 3 ILE CG2 C -8.347 -0.388 7.654 1.00 . A A . 3 ILE CG2 1 1
8 1703 1 1 3 ILE H H -8.271 2.161 6.726 1.00 . A A . 3 ILE H 1 1
8 1704 1 1 3 ILE HA H -5.579 1.435 6.720 1.00 . A A . 3 ILE HA 1 1
8 1705 1 1 3 ILE HB H -7.189 1.139 8.572 1.00 . A A . 3 ILE HB 1 1
8 1706 1 1 3 ILE HD11 H -4.106 -0.329 9.532 1.00 . A A . 3 ILE HD11 1 1
8 1707 1 1 3 ILE HD12 H -4.082 0.414 7.913 1.00 . A A . 3 ILE HD12 1 1
8 1708 1 1 3 ILE HD13 H -4.990 1.187 9.234 1.00 . A A . 3 ILE HD13 1 1
8 1709 1 1 3 ILE HG12 H -6.318 -1.091 9.290 1.00 . A A . 3 ILE HG12 1 1
8 1710 1 1 3 ILE HG13 H -5.668 -1.327 7.680 1.00 . A A . 3 ILE HG13 1 1
8 1711 1 1 3 ILE HG21 H -8.194 -1.256 7.012 1.00 . A A . 3 ILE HG21 1 1
8 1712 1 1 3 ILE HG22 H -8.721 -0.715 8.624 1.00 . A A . 3 ILE HG22 1 1
8 1713 1 1 3 ILE HG23 H -9.071 0.283 7.193 1.00 . A A . 3 ILE HG23 1 1
8 1714 1 1 3 ILE N N -7.458 2.067 6.152 1.00 . A A . 3 ILE N 1 1
8 1715 1 1 3 ILE O O -5.362 -0.565 5.151 1.00 . A A . 3 ILE O 1 1
8 1716 1 1 4 GLN C C -6.772 -0.560 2.370 1.00 . A A . 4 GLN C 1 1
8 1717 1 1 4 GLN CA C -7.571 -1.109 3.553 1.00 . A A . 4 GLN CA 1 1
8 1718 1 1 4 GLN CB C -9.012 -1.420 3.144 1.00 . A A . 4 GLN CB 1 1
8 1719 1 1 4 GLN CD C -11.142 -2.330 4.140 1.00 . A A . 4 GLN CD 1 1
8 1720 1 1 4 GLN CG C -9.622 -2.486 4.055 1.00 . A A . 4 GLN CG 1 1
8 1721 1 1 4 GLN H H -8.394 0.311 4.836 1.00 . A A . 4 GLN H 1 1
8 1722 1 1 4 GLN HA H -7.101 -2.019 3.927 1.00 . A A . 4 GLN HA 1 1
8 1723 1 1 4 GLN HB2 H -9.611 -0.511 3.190 1.00 . A A . 4 GLN HB2 1 1
8 1724 1 1 4 GLN HB3 H -9.035 -1.763 2.110 1.00 . A A . 4 GLN HB3 1 1
8 1725 1 1 4 GLN HE21 H -11.329 -4.211 3.413 1.00 . A A . 4 GLN HE21 1 1
8 1726 1 1 4 GLN HE22 H -12.819 -3.397 3.754 1.00 . A A . 4 GLN HE22 1 1
8 1727 1 1 4 GLN HG2 H -9.376 -3.478 3.677 1.00 . A A . 4 GLN HG2 1 1
8 1728 1 1 4 GLN HG3 H -9.189 -2.409 5.053 1.00 . A A . 4 GLN HG3 1 1
8 1729 1 1 4 GLN N N -7.536 -0.172 4.663 1.00 . A A . 4 GLN N 1 1
8 1730 1 1 4 GLN NE2 N -11.819 -3.402 3.735 1.00 . A A . 4 GLN NE2 1 1
8 1731 1 1 4 GLN O O -5.912 -1.250 1.824 1.00 . A A . 4 GLN O 1 1
8 1732 1 1 4 GLN OE1 O -11.665 -1.306 4.547 1.00 . A A . 4 GLN OE1 1 1
8 1733 1 1 5 . C C -4.800 1.261 1.214 1.00 . A A . 5 DIV C 1 1
8 1734 1 1 5 . CA C -6.309 1.378 0.999 1.00 . A A . 5 DIV CA 1 1
8 1735 1 1 5 . CB1 C -6.634 0.815 -0.386 1.00 . A A . 5 DIV CB1 1 1
8 1736 1 1 5 . CB2 C -6.682 2.860 1.064 1.00 . A A . 5 DIV CB2 1 1
8 1737 1 1 5 . CG1 C -8.094 1.034 -0.791 1.00 . A A . 5 DIV CG1 1 1
8 1738 1 1 5 . H H -7.847 1.195 2.392 1.00 . A A . 5 DIV H 1 1
8 1739 1 1 5 . HB11 H -6.444 -0.257 -0.394 1.00 . A A . 5 DIV HB11 1 1
8 1740 1 1 5 . HB12 H -6.006 1.301 -1.132 1.00 . A A . 5 DIV HB12 1 1
8 1741 1 1 5 . HB21 H -6.218 3.387 0.230 1.00 . A A . 5 DIV HB21 1 1
8 1742 1 1 5 . HB22 H -7.766 2.964 0.999 1.00 . A A . 5 DIV HB22 1 1
8 1743 1 1 5 . HB23 H -6.331 3.283 2.005 1.00 . A A . 5 DIV HB23 1 1
8 1744 1 1 5 . HG11 H -8.267 2.095 -0.967 1.00 . A A . 5 DIV HG11 1 1
8 1745 1 1 5 . HG12 H -8.305 0.476 -1.705 1.00 . A A . 5 DIV HG12 1 1
8 1746 1 1 5 . HG13 H -8.749 0.688 0.006 1.00 . A A . 5 DIV HG13 1 1
8 1747 1 1 5 . N N -7.083 0.676 2.009 1.00 . A A . 5 DIV N 1 1
8 1748 1 1 5 . O O -4.058 0.949 0.284 1.00 . A A . 5 DIV O 1 1
8 1749 1 1 6 ILE C C -2.416 0.120 2.721 1.00 . A A . 6 ILE C 1 1
8 1750 1 1 6 ILE CA C -2.974 1.544 2.775 1.00 . A A . 6 ILE CA 1 1
8 1751 1 1 6 ILE CB C -2.746 2.243 4.116 1.00 . A A . 6 ILE CB 1 1
8 1752 1 1 6 ILE CD1 C -3.621 4.465 3.308 1.00 . A A . 6 ILE CD1 1 1
8 1753 1 1 6 ILE CG1 C -2.428 3.726 3.915 1.00 . A A . 6 ILE CG1 1 1
8 1754 1 1 6 ILE CG2 C -1.664 1.530 4.930 1.00 . A A . 6 ILE CG2 1 1
8 1755 1 1 6 ILE H H -5.003 1.708 3.213 1.00 . A A . 6 ILE H 1 1
8 1756 1 1 6 ILE HA H -2.472 2.140 2.012 1.00 . A A . 6 ILE HA 1 1
8 1757 1 1 6 ILE HB H -3.670 2.187 4.692 1.00 . A A . 6 ILE HB 1 1
8 1758 1 1 6 ILE HD11 H -4.490 4.348 3.956 1.00 . A A . 6 ILE HD11 1 1
8 1759 1 1 6 ILE HD12 H -3.382 5.524 3.211 1.00 . A A . 6 ILE HD12 1 1
8 1760 1 1 6 ILE HD13 H -3.844 4.052 2.324 1.00 . A A . 6 ILE HD13 1 1
8 1761 1 1 6 ILE HG12 H -2.163 4.178 4.871 1.00 . A A . 6 ILE HG12 1 1
8 1762 1 1 6 ILE HG13 H -1.561 3.830 3.263 1.00 . A A . 6 ILE HG13 1 1
8 1763 1 1 6 ILE HG21 H -1.425 2.121 5.814 1.00 . A A . 6 ILE HG21 1 1
8 1764 1 1 6 ILE HG22 H -2.027 0.549 5.236 1.00 . A A . 6 ILE HG22 1 1
8 1765 1 1 6 ILE HG23 H -0.769 1.412 4.319 1.00 . A A . 6 ILE HG23 1 1
8 1766 1 1 6 ILE N N -4.389 1.519 2.447 1.00 . A A . 6 ILE N 1 1
8 1767 1 1 6 ILE O O -1.364 -0.117 2.131 1.00 . A A . 6 ILE O 1 1
8 1768 1 1 7 THR C C -2.516 -2.729 1.985 1.00 . A A . 7 THR C 1 1
8 1769 1 1 7 THR CA C -2.728 -2.181 3.398 1.00 . A A . 7 THR CA 1 1
8 1770 1 1 7 THR CB C -3.770 -2.960 4.202 1.00 . A A . 7 THR CB 1 1
8 1771 1 1 7 THR CG2 C -3.434 -4.449 4.310 1.00 . A A . 7 THR CG2 1 1
8 1772 1 1 7 THR H H -4.013 -0.594 3.808 1.00 . A A . 7 THR H 1 1
8 1773 1 1 7 THR HA H -1.765 -2.229 3.907 1.00 . A A . 7 THR HA 1 1
8 1774 1 1 7 THR HB H -4.769 -2.816 3.789 1.00 . A A . 7 THR HB 1 1
8 1775 1 1 7 THR HG1 H -4.441 -2.673 6.066 1.00 . A A . 7 THR HG1 1 1
8 1776 1 1 7 THR HG21 H -2.433 -4.566 4.726 1.00 . A A . 7 THR HG21 1 1
8 1777 1 1 7 THR HG22 H -4.157 -4.938 4.962 1.00 . A A . 7 THR HG22 1 1
8 1778 1 1 7 THR HG23 H -3.471 -4.903 3.320 1.00 . A A . 7 THR HG23 1 1
8 1779 1 1 7 THR N N -3.149 -0.792 3.345 1.00 . A A . 7 THR N 1 1
8 1780 1 1 7 THR O O -1.569 -3.474 1.740 1.00 . A A . 7 THR O 1 1
8 1781 1 1 7 THR OG1 O -3.619 -2.472 5.533 1.00 . A A . 7 THR OG1 1 1
8 1782 1 1 8 ABA C C -2.120 -2.258 -1.030 1.00 . A A . 8 AIB C 1 1
8 1783 1 1 8 ABA CA C -3.346 -2.790 -0.286 1.00 . A A . 8 AIB CA 1 1
8 1784 1 1 8 ABA H H -4.176 -1.723 1.299 1.00 . A A . 8 AIB H 1 1
8 1785 1 1 8 ABA N N -3.414 -2.338 1.093 1.00 . A A . 8 AIB N 1 1
8 1786 1 1 8 ABA O O -1.529 -2.965 -1.845 1.00 . A A . 8 AIB O 1 1
8 1787 1 1 9 LEU C C 0.633 -0.667 -0.804 1.00 . A A . 9 LEU C 1 1
8 1788 1 1 9 LEU CA C -0.716 -0.334 -1.446 1.00 . A A . 9 LEU CA 1 1
8 1789 1 1 9 LEU CB C -1.004 1.166 -1.528 1.00 . A A . 9 LEU CB 1 1
8 1790 1 1 9 LEU CD1 C -2.733 2.949 -1.968 1.00 . A A . 9 LEU CD1 1 1
8 1791 1 1 9 LEU CD2 C -1.865 1.515 -3.872 1.00 . A A . 9 LEU CD2 1 1
8 1792 1 1 9 LEU CG C -2.206 1.574 -2.382 1.00 . A A . 9 LEU CG 1 1
8 1793 1 1 9 LEU H H -2.203 -0.481 0.004 1.00 . A A . 9 LEU H 1 1
8 1794 1 1 9 LEU HA H -0.717 -0.718 -2.466 1.00 . A A . 9 LEU HA 1 1
8 1795 1 1 9 LEU HB2 H -1.159 1.541 -0.516 1.00 . A A . 9 LEU HB2 1 1
8 1796 1 1 9 LEU HB3 H -0.119 1.666 -1.920 1.00 . A A . 9 LEU HB3 1 1
8 1797 1 1 9 LEU HD11 H -3.057 2.915 -0.928 1.00 . A A . 9 LEU HD11 1 1
8 1798 1 1 9 LEU HD12 H -1.941 3.690 -2.077 1.00 . A A . 9 LEU HD12 1 1
8 1799 1 1 9 LEU HD13 H -3.575 3.222 -2.603 1.00 . A A . 9 LEU HD13 1 1
8 1800 1 1 9 LEU HD21 H -1.450 2.473 -4.188 1.00 . A A . 9 LEU HD21 1 1
8 1801 1 1 9 LEU HD22 H -1.132 0.726 -4.046 1.00 . A A . 9 LEU HD22 1 1
8 1802 1 1 9 LEU HD23 H -2.768 1.305 -4.444 1.00 . A A . 9 LEU HD23 1 1
8 1803 1 1 9 LEU HG H -3.008 0.856 -2.208 1.00 . A A . 9 LEU HG 1 1
8 1804 1 1 9 LEU N N -1.775 -1.017 -0.723 1.00 . A A . 9 LEU N 1 1
8 1805 1 1 9 LEU O O 1.672 -0.584 -1.456 1.00 . A A . 9 LEU O 1 1
8 1806 1 1 10 ABA C C 2.893 -1.925 0.580 1.00 . A A . 10 AIB C 1 1
8 1807 1 1 10 ABA CA C 1.775 -1.145 1.274 1.00 . A A . 10 AIB CA 1 1
8 1808 1 1 10 ABA H H -0.279 -1.263 0.943 1.00 . A A . 10 AIB H 1 1
8 1809 1 1 10 ABA N N 0.571 -1.038 0.466 1.00 . A A . 10 AIB N 1 1
8 1810 1 1 10 ABA O O 4.010 -1.428 0.443 1.00 . A A . 10 AIB O 1 1
8 1811 1 1 11 HYP C C 3.969 -3.679 -1.787 1.00 . A A . 11 HYP C 1 1
8 1812 1 1 11 HYP CA C 3.540 -4.085 -0.376 1.00 . A A . 11 HYP CA 1 1
8 1813 1 1 11 HYP CB C 2.880 -5.454 -0.325 1.00 . A A . 11 HYP CB 1 1
8 1814 1 1 11 HYP CD C 1.196 -3.730 0.154 1.00 . A A . 11 HYP CD 1 1
8 1815 1 1 11 HYP CG C 1.387 -5.192 -0.212 1.00 . A A . 11 HYP CG 1 1
8 1816 1 1 11 HYP HA H 4.442 -4.048 0.235 1.00 . A A . 11 HYP HA 1 1
8 1817 1 1 11 HYP HB2 H 3.109 -6.031 -1.220 1.00 . A A . 11 HYP HB2 1 1
8 1818 1 1 11 HYP HB3 H 3.241 -6.030 0.527 1.00 . A A . 11 HYP HB3 1 1
8 1819 1 1 11 HYP HD1 H -0.053 -5.811 1.121 1.00 . A A . 11 HYP HD1 1 1
8 1820 1 1 11 HYP HD22 H 0.554 -3.222 -0.567 1.00 . A A . 11 HYP HD22 1 1
8 1821 1 1 11 HYP HD23 H 0.725 -3.624 1.131 1.00 . A A . 11 HYP HD23 1 1
8 1822 1 1 11 HYP HG H 0.853 -5.459 -1.124 1.00 . A A . 11 HYP HG 1 1
8 1823 1 1 11 HYP N N 2.544 -3.167 0.150 1.00 . A A . 11 HYP N 1 1
8 1824 1 1 11 HYP O O 4.974 -4.169 -2.299 1.00 . A A . 11 HYP O 1 1
8 1825 1 1 11 HYP OD1 O 0.921 -5.973 0.968 1.00 . A A . 11 HYP OD1 1 1
8 1826 1 1 12 GLN C C 4.394 -1.269 -3.867 1.00 . A A . 12 GLN C 1 1
8 1827 1 1 12 GLN CA C 3.387 -2.416 -3.765 1.00 . A A . 12 GLN CA 1 1
8 1828 1 1 12 GLN CB C 2.060 -2.041 -4.431 1.00 . A A . 12 GLN CB 1 1
8 1829 1 1 12 GLN CD C -0.252 -2.836 -5.049 1.00 . A A . 12 GLN CD 1 1
8 1830 1 1 12 GLN CG C 1.093 -3.227 -4.434 1.00 . A A . 12 GLN CG 1 1
8 1831 1 1 12 GLN H H 2.424 -2.325 -1.920 1.00 . A A . 12 GLN H 1 1
8 1832 1 1 12 GLN HA H 3.789 -3.306 -4.248 1.00 . A A . 12 GLN HA 1 1
8 1833 1 1 12 GLN HB2 H 1.609 -1.200 -3.903 1.00 . A A . 12 GLN HB2 1 1
8 1834 1 1 12 GLN HB3 H 2.243 -1.713 -5.455 1.00 . A A . 12 GLN HB3 1 1
8 1835 1 1 12 GLN HE21 H -0.733 -4.801 -5.127 1.00 . A A . 12 GLN HE21 1 1
8 1836 1 1 12 GLN HE22 H -1.942 -3.717 -5.730 1.00 . A A . 12 GLN HE22 1 1
8 1837 1 1 12 GLN HG2 H 1.528 -4.054 -4.995 1.00 . A A . 12 GLN HG2 1 1
8 1838 1 1 12 GLN HG3 H 0.942 -3.579 -3.414 1.00 . A A . 12 GLN HG3 1 1
8 1839 1 1 12 GLN N N 3.184 -2.788 -2.376 1.00 . A A . 12 GLN N 1 1
8 1840 1 1 12 GLN NE2 N -1.041 -3.871 -5.325 1.00 . A A . 12 GLN NE2 1 1
8 1841 1 1 12 GLN O O 5.122 -1.163 -4.852 1.00 . A A . 12 GLN O 1 1
8 1842 1 1 12 GLN OE1 O -0.552 -1.673 -5.260 1.00 . A A . 12 GLN OE1 1 1
8 1843 1 1 13 ABA C C 6.577 0.672 -3.317 1.00 . A A . 13 AIB C 1 1
8 1844 1 1 13 ABA CA C 5.114 0.827 -2.898 1.00 . A A . 13 AIB CA 1 1
8 1845 1 1 13 ABA H H 3.940 -0.621 -1.967 1.00 . A A . 13 AIB H 1 1
8 1846 1 1 13 ABA N N 4.404 -0.439 -2.834 1.00 . A A . 13 AIB N 1 1
8 1847 1 1 13 ABA O O 7.033 1.333 -4.248 1.00 . A A . 13 AIB O 1 1
8 1848 1 1 14 HYP C C 9.177 -0.946 -3.992 1.00 . A A . 14 HYP C 1 1
8 1849 1 1 14 HYP CA C 8.738 -0.288 -2.683 1.00 . A A . 14 HYP CA 1 1
8 1850 1 1 14 HYP CB C 9.181 -1.062 -1.452 1.00 . A A . 14 HYP CB 1 1
8 1851 1 1 14 HYP CD C 6.738 -1.213 -1.662 1.00 . A A . 14 HYP CD 1 1
8 1852 1 1 14 HYP CG C 7.949 -1.805 -0.962 1.00 . A A . 14 HYP CG 1 1
8 1853 1 1 14 HYP HA H 9.155 0.719 -2.699 1.00 . A A . 14 HYP HA 1 1
8 1854 1 1 14 HYP HB2 H 9.985 -1.756 -1.695 1.00 . A A . 14 HYP HB2 1 1
8 1855 1 1 14 HYP HB3 H 9.562 -0.390 -0.684 1.00 . A A . 14 HYP HB3 1 1
8 1856 1 1 14 HYP HD1 H 8.278 -2.126 1.044 1.00 . A A . 14 HYP HD1 1 1
8 1857 1 1 14 HYP HD22 H 6.170 -1.980 -2.190 1.00 . A A . 14 HYP HD22 1 1
8 1858 1 1 14 HYP HD23 H 6.057 -0.747 -0.950 1.00 . A A . 14 HYP HD23 1 1
8 1859 1 1 14 HYP HG H 8.028 -2.881 -1.121 1.00 . A A . 14 HYP HG 1 1
8 1860 1 1 14 HYP N N 7.290 -0.230 -2.590 1.00 . A A . 14 HYP N 1 1
8 1861 1 1 14 HYP O O 10.275 -0.689 -4.484 1.00 . A A . 14 HYP O 1 1
8 1862 1 1 14 HYP OD1 O 7.802 -1.454 0.478 1.00 . A A . 14 HYP OD1 1 1
8 1863 1 1 15 ABA C C 9.587 -2.246 -6.598 1.00 . A A . 15 AIB C 1 1
8 1864 1 1 15 ABA CA C 8.709 -2.801 -5.474 1.00 . A A . 15 AIB CA 1 1
8 1865 1 1 15 ABA H H 7.320 -1.774 -4.309 1.00 . A A . 15 AIB H 1 1
8 1866 1 1 15 ABA N N 8.297 -1.783 -4.521 1.00 . A A . 15 AIB N 1 1
8 1867 1 1 15 ABA O O 10.701 -2.720 -6.813 1.00 . A A . 15 AIB O 1 1
8 1868 1 1 16 PRO C C 10.886 -0.036 -8.404 1.00 . A A . 16 PRO C 1 1
8 1869 1 1 16 PRO CA C 9.583 -0.819 -8.587 1.00 . A A . 16 PRO CA 1 1
8 1870 1 1 16 PRO CB C 8.486 0.002 -9.244 1.00 . A A . 16 PRO CB 1 1
8 1871 1 1 16 PRO CD C 7.879 -0.427 -6.902 1.00 . A A . 16 PRO CD 1 1
8 1872 1 1 16 PRO CG C 7.547 0.415 -8.122 1.00 . A A . 16 PRO CG 1 1
8 1873 1 1 16 PRO HA H 9.822 -1.622 -9.132 1.00 . A A . 16 PRO HA 1 1
8 1874 1 1 16 PRO HB2 H 8.899 0.875 -9.749 1.00 . A A . 16 PRO HB2 1 1
8 1875 1 1 16 PRO HB3 H 7.959 -0.583 -9.998 1.00 . A A . 16 PRO HB3 1 1
8 1876 1 1 16 PRO HD2 H 8.109 0.197 -6.039 1.00 . A A . 16 PRO HD2 1 1
8 1877 1 1 16 PRO HD3 H 7.040 -1.064 -6.620 1.00 . A A . 16 PRO HD3 1 1
8 1878 1 1 16 PRO HG2 H 7.665 1.476 -7.897 1.00 . A A . 16 PRO HG2 1 1
8 1879 1 1 16 PRO HG3 H 6.509 0.267 -8.419 1.00 . A A . 16 PRO HG3 1 1
8 1880 1 1 16 PRO N N 9.035 -1.224 -7.305 1.00 . A A . 16 PRO N 1 1
8 1881 1 1 16 PRO O O 11.632 0.168 -9.361 1.00 . A A . 16 PRO O 1 1
8 1882 1 1 17 PHL C C 13.388 0.321 -6.221 1.00 . A A . 17 PHL C 1 1
8 1883 1 1 17 PHL CA C 12.293 1.180 -6.857 1.00 . A A . 17 PHL CA 1 1
8 1884 1 1 17 PHL CB C 11.852 2.250 -5.856 1.00 . A A . 17 PHL CB 1 1
8 1885 1 1 17 PHL CD1 C 9.473 2.999 -5.635 1.00 . A A . 17 PHL CD1 1 1
8 1886 1 1 17 PHL CD2 C 10.753 3.883 -7.404 1.00 . A A . 17 PHL CD2 1 1
8 1887 1 1 17 PHL CE1 C 8.356 3.763 -6.061 1.00 . A A . 17 PHL CE1 1 1
8 1888 1 1 17 PHL CE2 C 9.635 4.648 -7.830 1.00 . A A . 17 PHL CE2 1 1
8 1889 1 1 17 PHL CG C 10.648 3.074 -6.315 1.00 . A A . 17 PHL CG 1 1
8 1890 1 1 17 PHL CZ C 8.460 4.572 -7.150 1.00 . A A . 17 PHL CZ 1 1
8 1891 1 1 17 PHL H2 H 10.526 0.181 -6.389 1.00 . A A . 17 PHL H2 1 1
8 1892 1 1 17 PHL HA H 12.659 1.596 -7.796 1.00 . A A . 17 PHL HA 1 1
8 1893 1 1 17 PHL HB2 H 11.610 1.768 -4.909 1.00 . A A . 17 PHL HB2 1 1
8 1894 1 1 17 PHL HB3 H 12.690 2.922 -5.667 1.00 . A A . 17 PHL HB3 1 1
8 1895 1 1 17 PHL HC1 H 13.687 -0.453 -6.927 1.00 . A A . 17 PHL HC1 1 1
8 1896 1 1 17 PHL HC2 H 12.998 -0.133 -5.310 1.00 . A A . 17 PHL HC2 1 1
8 1897 1 1 17 PHL HD1 H 9.390 2.350 -4.763 1.00 . A A . 17 PHL HD1 1 1
8 1898 1 1 17 PHL HD2 H 11.695 3.944 -7.949 1.00 . A A . 17 PHL HD2 1 1
8 1899 1 1 17 PHL HE1 H 7.414 3.702 -5.516 1.00 . A A . 17 PHL HE1 1 1
8 1900 1 1 17 PHL HE2 H 9.719 5.296 -8.703 1.00 . A A . 17 PHL HE2 1 1
8 1901 1 1 17 PHL HO H 15.045 1.331 -6.710 1.00 . A A . 17 PHL HO 1 1
8 1902 1 1 17 PHL HZ H 7.603 5.160 -7.477 1.00 . A A . 17 PHL HZ 1 1
8 1903 1 1 17 PHL N N 11.120 0.381 -7.168 1.00 . A A . 17 PHL N 1 1
8 1904 1 1 17 PHL O O 14.539 1.091 -5.882 1.00 . A A . 17 PHL O 1 1
9 1905 1 1 1 ACE C C -9.640 2.840 4.025 1.00 . A A . 1 ACE C 1 1
9 1906 1 1 1 ACE CH3 C -11.056 2.523 4.365 1.00 . A A . 1 ACE CH3 1 1
9 1907 1 1 1 ACE H1 H -11.670 3.414 4.232 1.00 . A A . 1 ACE H1 1 1
9 1908 1 1 1 ACE H2 H -11.419 1.730 3.711 1.00 . A A . 1 ACE H2 1 1
9 1909 1 1 1 ACE H3 H -11.115 2.194 5.403 1.00 . A A . 1 ACE H3 1 1
9 1910 1 1 1 ACE O O -9.054 2.211 3.146 1.00 . A A . 1 ACE O 1 1
9 1911 1 1 2 TRP C C -6.813 3.065 4.867 1.00 . A A . 2 TRP C 1 1
9 1912 1 1 2 TRP CA C -7.727 4.239 4.508 1.00 . A A . 2 TRP CA 1 1
9 1913 1 1 2 TRP CB C -7.404 5.511 5.294 1.00 . A A . 2 TRP CB 1 1
9 1914 1 1 2 TRP CD1 C -5.712 6.726 3.770 1.00 . A A . 2 TRP CD1 1 1
9 1915 1 1 2 TRP CD2 C -4.896 6.241 5.771 1.00 . A A . 2 TRP CD2 1 1
9 1916 1 1 2 TRP CE2 C -3.899 6.882 5.063 1.00 . A A . 2 TRP CE2 1 1
9 1917 1 1 2 TRP CE3 C -4.689 5.799 7.090 1.00 . A A . 2 TRP CE3 1 1
9 1918 1 1 2 TRP CG C -6.061 6.146 4.926 1.00 . A A . 2 TRP CG 1 1
9 1919 1 1 2 TRP CH2 C -2.400 6.710 6.903 1.00 . A A . 2 TRP CH2 1 1
9 1920 1 1 2 TRP CZ2 C -2.628 7.140 5.591 1.00 . A A . 2 TRP CZ2 1 1
9 1921 1 1 2 TRP CZ3 C -3.414 6.065 7.603 1.00 . A A . 2 TRP CZ3 1 1
9 1922 1 1 2 TRP H H -9.585 4.330 5.444 1.00 . A A . 2 TRP H 1 1
9 1923 1 1 2 TRP HA H -7.620 4.483 3.451 1.00 . A A . 2 TRP HA 1 1
9 1924 1 1 2 TRP HB2 H -8.196 6.240 5.127 1.00 . A A . 2 TRP HB2 1 1
9 1925 1 1 2 TRP HB3 H -7.405 5.278 6.358 1.00 . A A . 2 TRP HB3 1 1
9 1926 1 1 2 TRP HD1 H -6.372 6.822 2.908 1.00 . A A . 2 TRP HD1 1 1
9 1927 1 1 2 TRP HE1 H -3.883 7.695 3.002 1.00 . A A . 2 TRP HE1 1 1
9 1928 1 1 2 TRP HE3 H -5.460 5.291 7.670 1.00 . A A . 2 TRP HE3 1 1
9 1929 1 1 2 TRP HH2 H -1.432 6.879 7.375 1.00 . A A . 2 TRP HH2 1 1
9 1930 1 1 2 TRP HZ2 H -1.859 7.649 5.011 1.00 . A A . 2 TRP HZ2 1 1
9 1931 1 1 2 TRP HZ3 H -3.200 5.743 8.622 1.00 . A A . 2 TRP HZ3 1 1
9 1932 1 1 2 TRP N N -9.101 3.823 4.731 1.00 . A A . 2 TRP N 1 1
9 1933 1 1 2 TRP NE1 N -4.411 7.187 3.807 1.00 . A A . 2 TRP NE1 1 1
9 1934 1 1 2 TRP O O -5.796 2.843 4.213 1.00 . A A . 2 TRP O 1 1
9 1935 1 1 3 ILE C C -6.403 0.090 5.476 1.00 . A A . 3 ILE C 1 1
9 1936 1 1 3 ILE CA C -6.378 1.279 6.438 1.00 . A A . 3 ILE CA 1 1
9 1937 1 1 3 ILE CB C -6.807 0.925 7.864 1.00 . A A . 3 ILE CB 1 1
9 1938 1 1 3 ILE CD1 C -4.652 1.831 8.808 1.00 . A A . 3 ILE CD1 1 1
9 1939 1 1 3 ILE CG1 C -6.180 1.882 8.879 1.00 . A A . 3 ILE CG1 1 1
9 1940 1 1 3 ILE CG2 C -6.494 -0.537 8.184 1.00 . A A . 3 ILE CG2 1 1
9 1941 1 1 3 ILE H H -8.079 2.480 6.382 1.00 . A A . 3 ILE H 1 1
9 1942 1 1 3 ILE HA H -5.358 1.657 6.494 1.00 . A A . 3 ILE HA 1 1
9 1943 1 1 3 ILE HB H -7.889 1.045 7.934 1.00 . A A . 3 ILE HB 1 1
9 1944 1 1 3 ILE HD11 H -4.296 2.592 8.114 1.00 . A A . 3 ILE HD11 1 1
9 1945 1 1 3 ILE HD12 H -4.236 2.018 9.798 1.00 . A A . 3 ILE HD12 1 1
9 1946 1 1 3 ILE HD13 H -4.337 0.847 8.462 1.00 . A A . 3 ILE HD13 1 1
9 1947 1 1 3 ILE HG12 H -6.523 2.898 8.686 1.00 . A A . 3 ILE HG12 1 1
9 1948 1 1 3 ILE HG13 H -6.510 1.619 9.884 1.00 . A A . 3 ILE HG13 1 1
9 1949 1 1 3 ILE HG21 H -5.487 -0.776 7.843 1.00 . A A . 3 ILE HG21 1 1
9 1950 1 1 3 ILE HG22 H -6.561 -0.696 9.260 1.00 . A A . 3 ILE HG22 1 1
9 1951 1 1 3 ILE HG23 H -7.211 -1.183 7.676 1.00 . A A . 3 ILE HG23 1 1
9 1952 1 1 3 ILE N N -7.210 2.345 5.906 1.00 . A A . 3 ILE N 1 1
9 1953 1 1 3 ILE O O -5.466 -0.706 5.444 1.00 . A A . 3 ILE O 1 1
9 1954 1 1 4 GLN C C -6.785 -0.610 2.451 1.00 . A A . 4 GLN C 1 1
9 1955 1 1 4 GLN CA C -7.599 -1.010 3.684 1.00 . A A . 4 GLN CA 1 1
9 1956 1 1 4 GLN CB C -9.063 -1.257 3.318 1.00 . A A . 4 GLN CB 1 1
9 1957 1 1 4 GLN CD C -11.182 -2.465 3.963 1.00 . A A . 4 GLN CD 1 1
9 1958 1 1 4 GLN CG C -9.677 -2.337 4.211 1.00 . A A . 4 GLN CG 1 1
9 1959 1 1 4 GLN H H -8.272 0.620 4.794 1.00 . A A . 4 GLN H 1 1
9 1960 1 1 4 GLN HA H -7.183 -1.916 4.124 1.00 . A A . 4 GLN HA 1 1
9 1961 1 1 4 GLN HB2 H -9.629 -0.331 3.419 1.00 . A A . 4 GLN HB2 1 1
9 1962 1 1 4 GLN HB3 H -9.134 -1.561 2.273 1.00 . A A . 4 GLN HB3 1 1
9 1963 1 1 4 GLN HE21 H -11.471 -0.872 5.178 1.00 . A A . 4 GLN HE21 1 1
9 1964 1 1 4 GLN HE22 H -12.909 -1.557 4.501 1.00 . A A . 4 GLN HE22 1 1
9 1965 1 1 4 GLN HG2 H -9.190 -3.293 4.020 1.00 . A A . 4 GLN HG2 1 1
9 1966 1 1 4 GLN HG3 H -9.498 -2.093 5.258 1.00 . A A . 4 GLN HG3 1 1
9 1967 1 1 4 GLN N N -7.485 0.008 4.714 1.00 . A A . 4 GLN N 1 1
9 1968 1 1 4 GLN NE2 N -11.914 -1.556 4.600 1.00 . A A . 4 GLN NE2 1 1
9 1969 1 1 4 GLN O O -6.005 -1.407 1.932 1.00 . A A . 4 GLN O 1 1
9 1970 1 1 4 GLN OE1 O -11.645 -3.331 3.240 1.00 . A A . 4 GLN OE1 1 1
9 1971 1 1 5 . C C -4.670 0.993 1.214 1.00 . A A . 5 DIV C 1 1
9 1972 1 1 5 . CA C -6.167 1.202 0.974 1.00 . A A . 5 DIV CA 1 1
9 1973 1 1 5 . CB1 C -6.520 0.574 -0.375 1.00 . A A . 5 DIV CB1 1 1
9 1974 1 1 5 . CB2 C -6.433 2.708 0.938 1.00 . A A . 5 DIV CB2 1 1
9 1975 1 1 5 . CG1 C -7.966 0.844 -0.799 1.00 . A A . 5 DIV CG1 1 1
9 1976 1 1 5 . H H -7.716 1.224 2.366 1.00 . A A . 5 DIV H 1 1
9 1977 1 1 5 . HB11 H -6.387 -0.506 -0.318 1.00 . A A . 5 DIV HB11 1 1
9 1978 1 1 5 . HB12 H -5.868 0.979 -1.148 1.00 . A A . 5 DIV HB12 1 1
9 1979 1 1 5 . HB21 H -5.968 3.137 0.051 1.00 . A A . 5 DIV HB21 1 1
9 1980 1 1 5 . HB22 H -7.509 2.883 0.903 1.00 . A A . 5 DIV HB22 1 1
9 1981 1 1 5 . HB23 H -6.016 3.173 1.831 1.00 . A A . 5 DIV HB23 1 1
9 1982 1 1 5 . HG11 H -8.219 0.214 -1.651 1.00 . A A . 5 DIV HG11 1 1
9 1983 1 1 5 . HG12 H -8.636 0.618 0.031 1.00 . A A . 5 DIV HG12 1 1
9 1984 1 1 5 . HG13 H -8.074 1.891 -1.078 1.00 . A A . 5 DIV HG13 1 1
9 1985 1 1 5 . N N -6.995 0.624 2.018 1.00 . A A . 5 DIV N 1 1
9 1986 1 1 5 . O O -3.946 0.571 0.315 1.00 . A A . 5 DIV O 1 1
9 1987 1 1 6 ILE C C -2.276 -0.065 2.832 1.00 . A A . 6 ILE C 1 1
9 1988 1 1 6 ILE CA C -2.834 1.358 2.746 1.00 . A A . 6 ILE CA 1 1
9 1989 1 1 6 ILE CB C -2.597 2.188 4.008 1.00 . A A . 6 ILE CB 1 1
9 1990 1 1 6 ILE CD1 C -1.028 3.785 5.170 1.00 . A A . 6 ILE CD1 1 1
9 1991 1 1 6 ILE CG1 C -1.202 2.816 3.998 1.00 . A A . 6 ILE CG1 1 1
9 1992 1 1 6 ILE CG2 C -2.841 1.354 5.268 1.00 . A A . 6 ILE CG2 1 1
9 1993 1 1 6 ILE H H -4.862 1.503 3.199 1.00 . A A . 6 ILE H 1 1
9 1994 1 1 6 ILE HA H -2.340 1.873 1.923 1.00 . A A . 6 ILE HA 1 1
9 1995 1 1 6 ILE HB H -3.318 3.006 4.020 1.00 . A A . 6 ILE HB 1 1
9 1996 1 1 6 ILE HD11 H -0.120 4.372 5.024 1.00 . A A . 6 ILE HD11 1 1
9 1997 1 1 6 ILE HD12 H -1.888 4.453 5.219 1.00 . A A . 6 ILE HD12 1 1
9 1998 1 1 6 ILE HD13 H -0.952 3.221 6.100 1.00 . A A . 6 ILE HD13 1 1
9 1999 1 1 6 ILE HG12 H -0.447 2.032 4.055 1.00 . A A . 6 ILE HG12 1 1
9 2000 1 1 6 ILE HG13 H -1.044 3.344 3.058 1.00 . A A . 6 ILE HG13 1 1
9 2001 1 1 6 ILE HG21 H -3.768 0.790 5.156 1.00 . A A . 6 ILE HG21 1 1
9 2002 1 1 6 ILE HG22 H -2.011 0.663 5.413 1.00 . A A . 6 ILE HG22 1 1
9 2003 1 1 6 ILE HG23 H -2.920 2.014 6.132 1.00 . A A . 6 ILE HG23 1 1
9 2004 1 1 6 ILE N N -4.252 1.298 2.434 1.00 . A A . 6 ILE N 1 1
9 2005 1 1 6 ILE O O -1.118 -0.302 2.493 1.00 . A A . 6 ILE O 1 1
9 2006 1 1 7 THR C C -2.572 -2.982 2.000 1.00 . A A . 7 THR C 1 1
9 2007 1 1 7 THR CA C -2.742 -2.371 3.393 1.00 . A A . 7 THR CA 1 1
9 2008 1 1 7 THR CB C -3.790 -3.086 4.247 1.00 . A A . 7 THR CB 1 1
9 2009 1 1 7 THR CG2 C -3.539 -4.592 4.342 1.00 . A A . 7 THR CG2 1 1
9 2010 1 1 7 THR H H -4.059 -0.769 3.581 1.00 . A A . 7 THR H 1 1
9 2011 1 1 7 THR HA H -1.771 -2.425 3.886 1.00 . A A . 7 THR HA 1 1
9 2012 1 1 7 THR HB H -4.796 -2.881 3.881 1.00 . A A . 7 THR HB 1 1
9 2013 1 1 7 THR HG1 H -4.290 -2.008 5.857 1.00 . A A . 7 THR HG1 1 1
9 2014 1 1 7 THR HG21 H -3.691 -5.049 3.364 1.00 . A A . 7 THR HG21 1 1
9 2015 1 1 7 THR HG22 H -2.515 -4.770 4.670 1.00 . A A . 7 THR HG22 1 1
9 2016 1 1 7 THR HG23 H -4.232 -5.031 5.060 1.00 . A A . 7 THR HG23 1 1
9 2017 1 1 7 THR N N -3.126 -0.973 3.287 1.00 . A A . 7 THR N 1 1
9 2018 1 1 7 THR O O -1.633 -3.740 1.762 1.00 . A A . 7 THR O 1 1
9 2019 1 1 7 THR OG1 O -3.545 -2.609 5.568 1.00 . A A . 7 THR OG1 1 1
9 2020 1 1 8 ABA C C -2.217 -2.541 -1.014 1.00 . A A . 8 AIB C 1 1
9 2021 1 1 8 ABA CA C -3.428 -3.091 -0.259 1.00 . A A . 8 AIB CA 1 1
9 2022 1 1 8 ABA H H -4.278 -2.046 1.330 1.00 . A A . 8 AIB H 1 1
9 2023 1 1 8 ABA N N -3.496 -2.631 1.118 1.00 . A A . 8 AIB N 1 1
9 2024 1 1 8 ABA O O -1.617 -3.243 -1.827 1.00 . A A . 8 AIB O 1 1
9 2025 1 1 9 LEU C C 0.500 -0.859 -0.809 1.00 . A A . 9 LEU C 1 1
9 2026 1 1 9 LEU CA C -0.859 -0.590 -1.460 1.00 . A A . 9 LEU CA 1 1
9 2027 1 1 9 LEU CB C -1.200 0.897 -1.579 1.00 . A A . 9 LEU CB 1 1
9 2028 1 1 9 LEU CD1 C -2.914 2.660 -2.138 1.00 . A A . 9 LEU CD1 1 1
9 2029 1 1 9 LEU CD2 C -2.157 1.010 -3.910 1.00 . A A . 9 LEU CD2 1 1
9 2030 1 1 9 LEU CG C -2.431 1.236 -2.421 1.00 . A A . 9 LEU CG 1 1
9 2031 1 1 9 LEU H H -2.324 -0.760 0.012 1.00 . A A . 9 LEU H 1 1
9 2032 1 1 9 LEU HA H -0.846 -1.001 -2.469 1.00 . A A . 9 LEU HA 1 1
9 2033 1 1 9 LEU HB2 H -1.349 1.297 -0.577 1.00 . A A . 9 LEU HB2 1 1
9 2034 1 1 9 LEU HB3 H -0.340 1.413 -2.004 1.00 . A A . 9 LEU HB3 1 1
9 2035 1 1 9 LEU HD11 H -3.796 2.871 -2.742 1.00 . A A . 9 LEU HD11 1 1
9 2036 1 1 9 LEU HD12 H -3.166 2.755 -1.082 1.00 . A A . 9 LEU HD12 1 1
9 2037 1 1 9 LEU HD13 H -2.125 3.368 -2.388 1.00 . A A . 9 LEU HD13 1 1
9 2038 1 1 9 LEU HD21 H -1.256 1.548 -4.199 1.00 . A A . 9 LEU HD21 1 1
9 2039 1 1 9 LEU HD22 H -2.019 -0.055 -4.096 1.00 . A A . 9 LEU HD22 1 1
9 2040 1 1 9 LEU HD23 H -3.001 1.374 -4.494 1.00 . A A . 9 LEU HD23 1 1
9 2041 1 1 9 LEU HG H -3.238 0.560 -2.137 1.00 . A A . 9 LEU HG 1 1
9 2042 1 1 9 LEU N N -1.894 -1.292 -0.718 1.00 . A A . 9 LEU N 1 1
9 2043 1 1 9 LEU O O 1.539 -0.711 -1.450 1.00 . A A . 9 LEU O 1 1
9 2044 1 1 10 ABA C C 2.798 -2.058 0.544 1.00 . A A . 10 AIB C 1 1
9 2045 1 1 10 ABA CA C 1.653 -1.341 1.262 1.00 . A A . 10 AIB CA 1 1
9 2046 1 1 10 ABA H H -0.397 -1.498 0.931 1.00 . A A . 10 AIB H 1 1
9 2047 1 1 10 ABA N N 0.448 -1.248 0.457 1.00 . A A . 10 AIB N 1 1
9 2048 1 1 10 ABA O O 3.897 -1.518 0.424 1.00 . A A . 10 AIB O 1 1
9 2049 1 1 11 HYP C C 3.953 -3.699 -1.867 1.00 . A A . 11 HYP C 1 1
9 2050 1 1 11 HYP CA C 3.524 -4.163 -0.474 1.00 . A A . 11 HYP CA 1 1
9 2051 1 1 11 HYP CB C 2.907 -5.553 -0.475 1.00 . A A . 11 HYP CB 1 1
9 2052 1 1 11 HYP CD C 1.164 -3.900 0.040 1.00 . A A . 11 HYP CD 1 1
9 2053 1 1 11 HYP CG C 1.405 -5.343 -0.370 1.00 . A A . 11 HYP CG 1 1
9 2054 1 1 11 HYP HA H 4.418 -4.118 0.147 1.00 . A A . 11 HYP HA 1 1
9 2055 1 1 11 HYP HB2 H 3.163 -6.093 -1.386 1.00 . A A . 11 HYP HB2 1 1
9 2056 1 1 11 HYP HB3 H 3.278 -6.146 0.361 1.00 . A A . 11 HYP HB3 1 1
9 2057 1 1 11 HYP HD1 H -0.041 -6.111 0.878 1.00 . A A . 11 HYP HD1 1 1
9 2058 1 1 11 HYP HD22 H 0.513 -3.389 -0.670 1.00 . A A . 11 HYP HD22 1 1
9 2059 1 1 11 HYP HD23 H 0.680 -3.841 1.015 1.00 . A A . 11 HYP HD23 1 1
9 2060 1 1 11 HYP HG H 0.889 -5.597 -1.296 1.00 . A A . 11 HYP HG 1 1
9 2061 1 1 11 HYP N N 2.493 -3.295 0.070 1.00 . A A . 11 HYP N 1 1
9 2062 1 1 11 HYP O O 4.985 -4.132 -2.378 1.00 . A A . 11 HYP O 1 1
9 2063 1 1 11 HYP OD1 O 0.953 -6.176 0.779 1.00 . A A . 11 HYP OD1 1 1
9 2064 1 1 12 GLN C C 4.339 -1.212 -3.839 1.00 . A A . 12 GLN C 1 1
9 2065 1 1 12 GLN CA C 3.358 -2.385 -3.809 1.00 . A A . 12 GLN CA 1 1
9 2066 1 1 12 GLN CB C 2.037 -2.012 -4.483 1.00 . A A . 12 GLN CB 1 1
9 2067 1 1 12 GLN CD C -0.198 -2.869 -5.278 1.00 . A A . 12 GLN CD 1 1
9 2068 1 1 12 GLN CG C 1.069 -3.198 -4.485 1.00 . A A . 12 GLN CG 1 1
9 2069 1 1 12 GLN H H 2.346 -2.419 -1.989 1.00 . A A . 12 GLN H 1 1
9 2070 1 1 12 GLN HA H 3.791 -3.244 -4.322 1.00 . A A . 12 GLN HA 1 1
9 2071 1 1 12 GLN HB2 H 1.583 -1.170 -3.960 1.00 . A A . 12 GLN HB2 1 1
9 2072 1 1 12 GLN HB3 H 2.224 -1.690 -5.507 1.00 . A A . 12 GLN HB3 1 1
9 2073 1 1 12 GLN HE21 H -1.293 -3.422 -3.667 1.00 . A A . 12 GLN HE21 1 1
9 2074 1 1 12 GLN HE22 H -2.209 -2.893 -5.038 1.00 . A A . 12 GLN HE22 1 1
9 2075 1 1 12 GLN HG2 H 1.557 -4.070 -4.919 1.00 . A A . 12 GLN HG2 1 1
9 2076 1 1 12 GLN HG3 H 0.804 -3.458 -3.460 1.00 . A A . 12 GLN HG3 1 1
9 2077 1 1 12 GLN N N 3.139 -2.824 -2.441 1.00 . A A . 12 GLN N 1 1
9 2078 1 1 12 GLN NE2 N -1.327 -3.078 -4.605 1.00 . A A . 12 GLN NE2 1 1
9 2079 1 1 12 GLN O O 5.114 -1.071 -4.784 1.00 . A A . 12 GLN O 1 1
9 2080 1 1 12 GLN OE1 O -0.155 -2.453 -6.424 1.00 . A A . 12 GLN OE1 1 1
9 2081 1 1 13 ABA C C 6.421 0.796 -3.181 1.00 . A A . 13 AIB C 1 1
9 2082 1 1 13 ABA CA C 4.941 0.891 -2.805 1.00 . A A . 13 AIB CA 1 1
9 2083 1 1 13 ABA H H 3.779 -0.612 -1.952 1.00 . A A . 13 AIB H 1 1
9 2084 1 1 13 ABA N N 4.274 -0.400 -2.794 1.00 . A A . 13 AIB N 1 1
9 2085 1 1 13 ABA O O 6.882 1.485 -4.089 1.00 . A A . 13 AIB O 1 1
9 2086 1 1 14 HYP C C 9.055 -0.779 -3.826 1.00 . A A . 14 HYP C 1 1
9 2087 1 1 14 HYP CA C 8.595 -0.122 -2.524 1.00 . A A . 14 HYP CA 1 1
9 2088 1 1 14 HYP CB C 9.041 -0.880 -1.285 1.00 . A A . 14 HYP CB 1 1
9 2089 1 1 14 HYP CD C 6.603 -1.075 -1.513 1.00 . A A . 14 HYP CD 1 1
9 2090 1 1 14 HYP CG C 7.820 -1.643 -0.800 1.00 . A A . 14 HYP CG 1 1
9 2091 1 1 14 HYP HA H 8.992 0.893 -2.543 1.00 . A A . 14 HYP HA 1 1
9 2092 1 1 14 HYP HB2 H 9.860 -1.562 -1.519 1.00 . A A . 14 HYP HB2 1 1
9 2093 1 1 14 HYP HB3 H 9.405 -0.196 -0.519 1.00 . A A . 14 HYP HB3 1 1
9 2094 1 1 14 HYP HD1 H 8.379 -1.710 1.180 1.00 . A A . 14 HYP HD1 1 1
9 2095 1 1 14 HYP HD22 H 6.053 -1.855 -2.040 1.00 . A A . 14 HYP HD22 1 1
9 2096 1 1 14 HYP HD23 H 5.909 -0.618 -0.809 1.00 . A A . 14 HYP HD23 1 1
9 2097 1 1 14 HYP HG H 7.919 -2.717 -0.951 1.00 . A A . 14 HYP HG 1 1
9 2098 1 1 14 HYP N N 7.145 -0.088 -2.441 1.00 . A A . 14 HYP N 1 1
9 2099 1 1 14 HYP O O 10.184 -0.568 -4.268 1.00 . A A . 14 HYP O 1 1
9 2100 1 1 14 HYP OD1 O 7.655 -1.283 0.637 1.00 . A A . 14 HYP OD1 1 1
9 2101 1 1 15 ABA C C 9.445 -2.038 -6.481 1.00 . A A . 15 AIB C 1 1
9 2102 1 1 15 ABA CA C 8.559 -2.583 -5.360 1.00 . A A . 15 AIB CA 1 1
9 2103 1 1 15 ABA H H 7.174 -1.510 -4.232 1.00 . A A . 15 AIB H 1 1
9 2104 1 1 15 ABA N N 8.158 -1.563 -4.406 1.00 . A A . 15 AIB N 1 1
9 2105 1 1 15 ABA O O 10.533 -2.555 -6.726 1.00 . A A . 15 AIB O 1 1
9 2106 1 1 16 PRO C C 10.804 0.098 -8.333 1.00 . A A . 16 PRO C 1 1
9 2107 1 1 16 PRO CA C 9.442 -0.590 -8.455 1.00 . A A . 16 PRO CA 1 1
9 2108 1 1 16 PRO CB C 8.373 0.314 -9.048 1.00 . A A . 16 PRO CB 1 1
9 2109 1 1 16 PRO CD C 7.856 -0.101 -6.682 1.00 . A A . 16 PRO CD 1 1
9 2110 1 1 16 PRO CG C 7.523 0.778 -7.876 1.00 . A A . 16 PRO CG 1 1
9 2111 1 1 16 PRO HA H 9.596 -1.401 -9.019 1.00 . A A . 16 PRO HA 1 1
9 2112 1 1 16 PRO HB2 H 8.821 1.161 -9.567 1.00 . A A . 16 PRO HB2 1 1
9 2113 1 1 16 PRO HB3 H 7.770 -0.224 -9.779 1.00 . A A . 16 PRO HB3 1 1
9 2114 1 1 16 PRO HD2 H 8.174 0.497 -5.827 1.00 . A A . 16 PRO HD2 1 1
9 2115 1 1 16 PRO HD3 H 6.990 -0.680 -6.362 1.00 . A A . 16 PRO HD3 1 1
9 2116 1 1 16 PRO HG2 H 7.727 1.825 -7.649 1.00 . A A . 16 PRO HG2 1 1
9 2117 1 1 16 PRO HG3 H 6.464 0.705 -8.120 1.00 . A A . 16 PRO HG3 1 1
9 2118 1 1 16 PRO N N 8.932 -0.970 -7.150 1.00 . A A . 16 PRO N 1 1
9 2119 1 1 16 PRO O O 11.510 0.266 -9.325 1.00 . A A . 16 PRO O 1 1
9 2120 1 1 17 PHL C C 13.456 0.277 -6.333 1.00 . A A . 17 PHL C 1 1
9 2121 1 1 17 PHL CA C 12.361 1.210 -6.852 1.00 . A A . 17 PHL CA 1 1
9 2122 1 1 17 PHL CB C 12.045 2.254 -5.780 1.00 . A A . 17 PHL CB 1 1
9 2123 1 1 17 PHL CD1 C 9.717 3.084 -5.375 1.00 . A A . 17 PHL CD1 1 1
9 2124 1 1 17 PHL CD2 C 10.934 4.023 -7.161 1.00 . A A . 17 PHL CD2 1 1
9 2125 1 1 17 PHL CE1 C 8.612 3.919 -5.690 1.00 . A A . 17 PHL CE1 1 1
9 2126 1 1 17 PHL CE2 C 9.829 4.858 -7.476 1.00 . A A . 17 PHL CE2 1 1
9 2127 1 1 17 PHL CG C 10.854 3.154 -6.118 1.00 . A A . 17 PHL CG 1 1
9 2128 1 1 17 PHL CZ C 8.691 4.788 -6.733 1.00 . A A . 17 PHL CZ 1 1
9 2129 1 1 17 PHL H2 H 10.574 0.292 -6.296 1.00 . A A . 17 PHL H2 1 1
9 2130 1 1 17 PHL HA H 12.678 1.648 -7.798 1.00 . A A . 17 PHL HA 1 1
9 2131 1 1 17 PHL HB2 H 11.846 1.745 -4.838 1.00 . A A . 17 PHL HB2 1 1
9 2132 1 1 17 PHL HB3 H 12.926 2.878 -5.625 1.00 . A A . 17 PHL HB3 1 1
9 2133 1 1 17 PHL HC1 H 13.660 -0.484 -7.085 1.00 . A A . 17 PHL HC1 1 1
9 2134 1 1 17 PHL HC2 H 13.115 -0.191 -5.410 1.00 . A A . 17 PHL HC2 1 1
9 2135 1 1 17 PHL HD1 H 9.654 2.387 -4.539 1.00 . A A . 17 PHL HD1 1 1
9 2136 1 1 17 PHL HD2 H 11.845 4.079 -7.757 1.00 . A A . 17 PHL HD2 1 1
9 2137 1 1 17 PHL HE1 H 7.701 3.864 -5.094 1.00 . A A . 17 PHL HE1 1 1
9 2138 1 1 17 PHL HE2 H 9.892 5.554 -8.312 1.00 . A A . 17 PHL HE2 1 1
9 2139 1 1 17 PHL HO H 15.090 1.276 -6.917 1.00 . A A . 17 PHL HO 1 1
9 2140 1 1 17 PHL HZ H 7.843 5.429 -6.974 1.00 . A A . 17 PHL HZ 1 1
9 2141 1 1 17 PHL N N 11.131 0.477 -7.106 1.00 . A A . 17 PHL N 1 1
9 2142 1 1 17 PHL O O 14.668 0.977 -6.061 1.00 . A A . 17 PHL O 1 1
10 2143 1 1 1 ACE C C -9.798 2.653 4.131 1.00 . A A . 1 ACE C 1 1
10 2144 1 1 1 ACE CH3 C -11.157 2.140 4.461 1.00 . A A . 1 ACE CH3 1 1
10 2145 1 1 1 ACE H1 H -11.082 1.111 4.813 1.00 . A A . 1 ACE H1 1 1
10 2146 1 1 1 ACE H2 H -11.600 2.760 5.242 1.00 . A A . 1 ACE H2 1 1
10 2147 1 1 1 ACE H3 H -11.785 2.175 3.571 1.00 . A A . 1 ACE H3 1 1
10 2148 1 1 1 ACE O O -9.165 2.182 3.187 1.00 . A A . 1 ACE O 1 1
10 2149 1 1 2 TRP C C -7.023 3.020 5.003 1.00 . A A . 2 TRP C 1 1
10 2150 1 1 2 TRP CA C -8.017 4.159 4.769 1.00 . A A . 2 TRP CA 1 1
10 2151 1 1 2 TRP CB C -7.794 5.349 5.705 1.00 . A A . 2 TRP CB 1 1
10 2152 1 1 2 TRP CD1 C -9.342 7.400 5.467 1.00 . A A . 2 TRP CD1 1 1
10 2153 1 1 2 TRP CD2 C -7.600 7.455 4.099 1.00 . A A . 2 TRP CD2 1 1
10 2154 1 1 2 TRP CE2 C -8.339 8.598 3.872 1.00 . A A . 2 TRP CE2 1 1
10 2155 1 1 2 TRP CE3 C -6.420 7.191 3.381 1.00 . A A . 2 TRP CE3 1 1
10 2156 1 1 2 TRP CG C -8.257 6.689 5.131 1.00 . A A . 2 TRP CG 1 1
10 2157 1 1 2 TRP CH2 C -6.810 9.325 2.200 1.00 . A A . 2 TRP CH2 1 1
10 2158 1 1 2 TRP CZ2 C -7.982 9.567 2.927 1.00 . A A . 2 TRP CZ2 1 1
10 2159 1 1 2 TRP CZ3 C -6.076 8.169 2.441 1.00 . A A . 2 TRP CZ3 1 1
10 2160 1 1 2 TRP H H -9.901 4.039 5.649 1.00 . A A . 2 TRP H 1 1
10 2161 1 1 2 TRP HA H -7.921 4.535 3.751 1.00 . A A . 2 TRP HA 1 1
10 2162 1 1 2 TRP HB2 H -8.321 5.165 6.642 1.00 . A A . 2 TRP HB2 1 1
10 2163 1 1 2 TRP HB3 H -6.732 5.415 5.946 1.00 . A A . 2 TRP HB3 1 1
10 2164 1 1 2 TRP HD1 H -10.063 7.098 6.226 1.00 . A A . 2 TRP HD1 1 1
10 2165 1 1 2 TRP HE1 H -10.217 9.317 4.807 1.00 . A A . 2 TRP HE1 1 1
10 2166 1 1 2 TRP HE3 H -5.819 6.296 3.542 1.00 . A A . 2 TRP HE3 1 1
10 2167 1 1 2 TRP HH2 H -6.474 10.040 1.449 1.00 . A A . 2 TRP HH2 1 1
10 2168 1 1 2 TRP HZ2 H -8.583 10.462 2.767 1.00 . A A . 2 TRP HZ2 1 1
10 2169 1 1 2 TRP HZ3 H -5.169 8.013 1.857 1.00 . A A . 2 TRP HZ3 1 1
10 2170 1 1 2 TRP N N -9.359 3.623 4.920 1.00 . A A . 2 TRP N 1 1
10 2171 1 1 2 TRP NE1 N -9.432 8.564 4.730 1.00 . A A . 2 TRP NE1 1 1
10 2172 1 1 2 TRP O O -6.071 2.856 4.241 1.00 . A A . 2 TRP O 1 1
10 2173 1 1 3 ILE C C -6.317 0.139 5.360 1.00 . A A . 3 ILE C 1 1
10 2174 1 1 3 ILE CA C -6.367 1.204 6.459 1.00 . A A . 3 ILE CA 1 1
10 2175 1 1 3 ILE CB C -6.754 0.652 7.832 1.00 . A A . 3 ILE CB 1 1
10 2176 1 1 3 ILE CD1 C -4.372 0.618 8.657 1.00 . A A . 3 ILE CD1 1 1
10 2177 1 1 3 ILE CG1 C -5.634 -0.212 8.412 1.00 . A A . 3 ILE CG1 1 1
10 2178 1 1 3 ILE CG2 C -8.083 -0.102 7.765 1.00 . A A . 3 ILE CG2 1 1
10 2179 1 1 3 ILE H H -8.088 2.363 6.637 1.00 . A A . 3 ILE H 1 1
10 2180 1 1 3 ILE HA H -5.375 1.646 6.556 1.00 . A A . 3 ILE HA 1 1
10 2181 1 1 3 ILE HB H -6.896 1.493 8.510 1.00 . A A . 3 ILE HB 1 1
10 2182 1 1 3 ILE HD11 H -4.653 1.611 9.007 1.00 . A A . 3 ILE HD11 1 1
10 2183 1 1 3 ILE HD12 H -3.755 0.128 9.410 1.00 . A A . 3 ILE HD12 1 1
10 2184 1 1 3 ILE HD13 H -3.809 0.706 7.728 1.00 . A A . 3 ILE HD13 1 1
10 2185 1 1 3 ILE HG12 H -5.964 -0.663 9.349 1.00 . A A . 3 ILE HG12 1 1
10 2186 1 1 3 ILE HG13 H -5.408 -1.030 7.728 1.00 . A A . 3 ILE HG13 1 1
10 2187 1 1 3 ILE HG21 H -8.452 -0.281 8.775 1.00 . A A . 3 ILE HG21 1 1
10 2188 1 1 3 ILE HG22 H -8.812 0.493 7.213 1.00 . A A . 3 ILE HG22 1 1
10 2189 1 1 3 ILE HG23 H -7.935 -1.056 7.259 1.00 . A A . 3 ILE HG23 1 1
10 2190 1 1 3 ILE N N -7.278 2.263 6.059 1.00 . A A . 3 ILE N 1 1
10 2191 1 1 3 ILE O O -5.288 -0.507 5.164 1.00 . A A . 3 ILE O 1 1
10 2192 1 1 4 GLN C C -6.745 -0.516 2.382 1.00 . A A . 4 GLN C 1 1
10 2193 1 1 4 GLN CA C -7.538 -0.987 3.602 1.00 . A A . 4 GLN CA 1 1
10 2194 1 1 4 GLN CB C -8.999 -1.256 3.236 1.00 . A A . 4 GLN CB 1 1
10 2195 1 1 4 GLN CD C -11.157 -2.287 4.035 1.00 . A A . 4 GLN CD 1 1
10 2196 1 1 4 GLN CG C -9.638 -2.239 4.219 1.00 . A A . 4 GLN CG 1 1
10 2197 1 1 4 GLN H H -8.272 0.519 4.841 1.00 . A A . 4 GLN H 1 1
10 2198 1 1 4 GLN HA H -7.097 -1.900 4.001 1.00 . A A . 4 GLN HA 1 1
10 2199 1 1 4 GLN HB2 H -9.556 -0.319 3.240 1.00 . A A . 4 GLN HB2 1 1
10 2200 1 1 4 GLN HB3 H -9.057 -1.656 2.224 1.00 . A A . 4 GLN HB3 1 1
10 2201 1 1 4 GLN HE21 H -11.311 -3.047 5.906 1.00 . A A . 4 GLN HE21 1 1
10 2202 1 1 4 GLN HE22 H -12.811 -2.832 5.068 1.00 . A A . 4 GLN HE22 1 1
10 2203 1 1 4 GLN HG2 H -9.219 -3.233 4.068 1.00 . A A . 4 GLN HG2 1 1
10 2204 1 1 4 GLN HG3 H -9.401 -1.944 5.240 1.00 . A A . 4 GLN HG3 1 1
10 2205 1 1 4 GLN N N -7.441 -0.011 4.674 1.00 . A A . 4 GLN N 1 1
10 2206 1 1 4 GLN NE2 N -11.814 -2.761 5.090 1.00 . A A . 4 GLN NE2 1 1
10 2207 1 1 4 GLN O O -5.904 -1.249 1.863 1.00 . A A . 4 GLN O 1 1
10 2208 1 1 4 GLN OE1 O -11.696 -1.918 3.005 1.00 . A A . 4 GLN OE1 1 1
10 2209 1 1 5 . C C -4.729 1.246 1.213 1.00 . A A . 5 DIV C 1 1
10 2210 1 1 5 . CA C -6.230 1.362 0.947 1.00 . A A . 5 DIV CA 1 1
10 2211 1 1 5 . CB1 C -6.516 0.746 -0.424 1.00 . A A . 5 DIV CB1 1 1
10 2212 1 1 5 . CB2 C -6.596 2.846 0.941 1.00 . A A . 5 DIV CB2 1 1
10 2213 1 1 5 . CG1 C -7.977 0.897 -0.854 1.00 . A A . 5 DIV CG1 1 1
10 2214 1 1 5 . H H -7.814 1.241 2.296 1.00 . A A . 5 DIV H 1 1
10 2215 1 1 5 . HB11 H -6.285 -0.319 -0.398 1.00 . A A . 5 DIV HB11 1 1
10 2216 1 1 5 . HB12 H -5.897 1.232 -1.177 1.00 . A A . 5 DIV HB12 1 1
10 2217 1 1 5 . HB21 H -6.138 3.329 0.077 1.00 . A A . 5 DIV HB21 1 1
10 2218 1 1 5 . HB22 H -7.680 2.952 0.883 1.00 . A A . 5 DIV HB22 1 1
10 2219 1 1 5 . HB23 H -6.233 3.315 1.855 1.00 . A A . 5 DIV HB23 1 1
10 2220 1 1 5 . HG11 H -8.162 0.277 -1.731 1.00 . A A . 5 DIV HG11 1 1
10 2221 1 1 5 . HG12 H -8.630 0.579 -0.040 1.00 . A A . 5 DIV HG12 1 1
10 2222 1 1 5 . HG13 H -8.179 1.938 -1.097 1.00 . A A . 5 DIV HG13 1 1
10 2223 1 1 5 . N N -7.040 0.704 1.959 1.00 . A A . 5 DIV N 1 1
10 2224 1 1 5 . O O -3.956 0.923 0.312 1.00 . A A . 5 DIV O 1 1
10 2225 1 1 6 ILE C C -2.456 0.022 2.720 1.00 . A A . 6 ILE C 1 1
10 2226 1 1 6 ILE CA C -2.962 1.461 2.852 1.00 . A A . 6 ILE CA 1 1
10 2227 1 1 6 ILE CB C -2.776 2.052 4.251 1.00 . A A . 6 ILE CB 1 1
10 2228 1 1 6 ILE CD1 C -3.296 4.124 5.591 1.00 . A A . 6 ILE CD1 1 1
10 2229 1 1 6 ILE CG1 C -2.893 3.578 4.220 1.00 . A A . 6 ILE CG1 1 1
10 2230 1 1 6 ILE CG2 C -1.455 1.591 4.870 1.00 . A A . 6 ILE CG2 1 1
10 2231 1 1 6 ILE H H -4.995 1.769 3.187 1.00 . A A . 6 ILE H 1 1
10 2232 1 1 6 ILE HA H -2.401 2.088 2.159 1.00 . A A . 6 ILE HA 1 1
10 2233 1 1 6 ILE HB H -3.578 1.681 4.888 1.00 . A A . 6 ILE HB 1 1
10 2234 1 1 6 ILE HD11 H -4.286 3.752 5.853 1.00 . A A . 6 ILE HD11 1 1
10 2235 1 1 6 ILE HD12 H -2.575 3.797 6.340 1.00 . A A . 6 ILE HD12 1 1
10 2236 1 1 6 ILE HD13 H -3.315 5.214 5.556 1.00 . A A . 6 ILE HD13 1 1
10 2237 1 1 6 ILE HG12 H -1.940 4.013 3.916 1.00 . A A . 6 ILE HG12 1 1
10 2238 1 1 6 ILE HG13 H -3.630 3.875 3.475 1.00 . A A . 6 ILE HG13 1 1
10 2239 1 1 6 ILE HG21 H -0.642 1.767 4.166 1.00 . A A . 6 ILE HG21 1 1
10 2240 1 1 6 ILE HG22 H -1.269 2.151 5.786 1.00 . A A . 6 ILE HG22 1 1
10 2241 1 1 6 ILE HG23 H -1.514 0.527 5.100 1.00 . A A . 6 ILE HG23 1 1
10 2242 1 1 6 ILE N N -4.359 1.516 2.457 1.00 . A A . 6 ILE N 1 1
10 2243 1 1 6 ILE O O -1.436 -0.225 2.079 1.00 . A A . 6 ILE O 1 1
10 2244 1 1 7 THR C C -2.536 -2.867 2.054 1.00 . A A . 7 THR C 1 1
10 2245 1 1 7 THR CA C -2.745 -2.267 3.445 1.00 . A A . 7 THR CA 1 1
10 2246 1 1 7 THR CB C -3.765 -3.033 4.291 1.00 . A A . 7 THR CB 1 1
10 2247 1 1 7 THR CG2 C -3.443 -4.524 4.387 1.00 . A A . 7 THR CG2 1 1
10 2248 1 1 7 THR H H -4.078 -0.698 3.764 1.00 . A A . 7 THR H 1 1
10 2249 1 1 7 THR HA H -1.777 -2.277 3.947 1.00 . A A . 7 THR HA 1 1
10 2250 1 1 7 THR HB H -4.777 -2.875 3.916 1.00 . A A . 7 THR HB 1 1
10 2251 1 1 7 THR HG1 H -3.950 -1.631 5.708 1.00 . A A . 7 THR HG1 1 1
10 2252 1 1 7 THR HG21 H -3.531 -4.980 3.402 1.00 . A A . 7 THR HG21 1 1
10 2253 1 1 7 THR HG22 H -2.426 -4.654 4.759 1.00 . A A . 7 THR HG22 1 1
10 2254 1 1 7 THR HG23 H -4.143 -5.004 5.074 1.00 . A A . 7 THR HG23 1 1
10 2255 1 1 7 THR N N -3.193 -0.888 3.340 1.00 . A A . 7 THR N 1 1
10 2256 1 1 7 THR O O -1.570 -3.595 1.826 1.00 . A A . 7 THR O 1 1
10 2257 1 1 7 THR OG1 O -3.556 -2.545 5.613 1.00 . A A . 7 THR OG1 1 1
10 2258 1 1 8 ABA C C -2.187 -2.523 -0.980 1.00 . A A . 8 AIB C 1 1
10 2259 1 1 8 ABA CA C -3.394 -3.051 -0.200 1.00 . A A . 8 AIB CA 1 1
10 2260 1 1 8 ABA H H -4.236 -1.944 1.351 1.00 . A A . 8 AIB H 1 1
10 2261 1 1 8 ABA N N -3.458 -2.543 1.160 1.00 . A A . 8 AIB N 1 1
10 2262 1 1 8 ABA O O -1.600 -3.245 -1.785 1.00 . A A . 8 AIB O 1 1
10 2263 1 1 9 LEU C C 0.540 -0.854 -0.829 1.00 . A A . 9 LEU C 1 1
10 2264 1 1 9 LEU CA C -0.821 -0.591 -1.476 1.00 . A A . 9 LEU CA 1 1
10 2265 1 1 9 LEU CB C -1.153 0.894 -1.627 1.00 . A A . 9 LEU CB 1 1
10 2266 1 1 9 LEU CD1 C -2.868 2.656 -2.190 1.00 . A A . 9 LEU CD1 1 1
10 2267 1 1 9 LEU CD2 C -2.158 0.960 -3.939 1.00 . A A . 9 LEU CD2 1 1
10 2268 1 1 9 LEU CG C -2.400 1.222 -2.451 1.00 . A A . 9 LEU CG 1 1
10 2269 1 1 9 LEU H H -2.277 -0.720 0.008 1.00 . A A . 9 LEU H 1 1
10 2270 1 1 9 LEU HA H -0.817 -1.023 -2.477 1.00 . A A . 9 LEU HA 1 1
10 2271 1 1 9 LEU HB2 H -1.278 1.321 -0.631 1.00 . A A . 9 LEU HB2 1 1
10 2272 1 1 9 LEU HB3 H -0.299 1.394 -2.082 1.00 . A A . 9 LEU HB3 1 1
10 2273 1 1 9 LEU HD11 H -3.876 2.786 -2.586 1.00 . A A . 9 LEU HD11 1 1
10 2274 1 1 9 LEU HD12 H -2.872 2.847 -1.118 1.00 . A A . 9 LEU HD12 1 1
10 2275 1 1 9 LEU HD13 H -2.191 3.354 -2.682 1.00 . A A . 9 LEU HD13 1 1
10 2276 1 1 9 LEU HD21 H -1.957 -0.100 -4.092 1.00 . A A . 9 LEU HD21 1 1
10 2277 1 1 9 LEU HD22 H -3.042 1.249 -4.508 1.00 . A A . 9 LEU HD22 1 1
10 2278 1 1 9 LEU HD23 H -1.302 1.546 -4.276 1.00 . A A . 9 LEU HD23 1 1
10 2279 1 1 9 LEU HG H -3.205 0.558 -2.134 1.00 . A A . 9 LEU HG 1 1
10 2280 1 1 9 LEU N N -1.854 -1.269 -0.713 1.00 . A A . 9 LEU N 1 1
10 2281 1 1 9 LEU O O 1.577 -0.726 -1.480 1.00 . A A . 9 LEU O 1 1
10 2282 1 1 10 ABA C C 2.844 -2.023 0.560 1.00 . A A . 10 AIB C 1 1
10 2283 1 1 10 ABA CA C 1.702 -1.276 1.250 1.00 . A A . 10 AIB CA 1 1
10 2284 1 1 10 ABA H H -0.346 -1.463 0.926 1.00 . A A . 10 AIB H 1 1
10 2285 1 1 10 ABA N N 0.494 -1.215 0.445 1.00 . A A . 10 AIB N 1 1
10 2286 1 1 10 ABA O O 3.945 -1.493 0.421 1.00 . A A . 10 AIB O 1 1
10 2287 1 1 11 HYP C C 3.973 -3.746 -1.806 1.00 . A A . 11 HYP C 1 1
10 2288 1 1 11 HYP CA C 3.559 -4.163 -0.393 1.00 . A A . 11 HYP CA 1 1
10 2289 1 1 11 HYP CB C 2.942 -5.551 -0.341 1.00 . A A . 11 HYP CB 1 1
10 2290 1 1 11 HYP CD C 1.204 -3.881 0.136 1.00 . A A . 11 HYP CD 1 1
10 2291 1 1 11 HYP CG C 1.442 -5.337 -0.227 1.00 . A A . 11 HYP CG 1 1
10 2292 1 1 11 HYP HA H 4.460 -4.097 0.216 1.00 . A A . 11 HYP HA 1 1
10 2293 1 1 11 HYP HB2 H 3.188 -6.123 -1.236 1.00 . A A . 11 HYP HB2 1 1
10 2294 1 1 11 HYP HB3 H 3.322 -6.115 0.511 1.00 . A A . 11 HYP HB3 1 1
10 2295 1 1 11 HYP HD1 H 1.436 -5.776 1.784 1.00 . A A . 11 HYP HD1 1 1
10 2296 1 1 11 HYP HD22 H 0.546 -3.394 -0.583 1.00 . A A . 11 HYP HD22 1 1
10 2297 1 1 11 HYP HD23 H 0.731 -3.788 1.114 1.00 . A A . 11 HYP HD23 1 1
10 2298 1 1 11 HYP HG H 0.915 -5.623 -1.137 1.00 . A A . 11 HYP HG 1 1
10 2299 1 1 11 HYP N N 2.534 -3.276 0.131 1.00 . A A . 11 HYP N 1 1
10 2300 1 1 11 HYP O O 4.983 -4.218 -2.325 1.00 . A A . 11 HYP O 1 1
10 2301 1 1 11 HYP OD1 O 1.002 -6.130 0.955 1.00 . A A . 11 HYP OD1 1 1
10 2302 1 1 12 GLN C C 4.318 -1.303 -3.883 1.00 . A A . 12 GLN C 1 1
10 2303 1 1 12 GLN CA C 3.357 -2.489 -3.778 1.00 . A A . 12 GLN CA 1 1
10 2304 1 1 12 GLN CB C 2.018 -2.170 -4.445 1.00 . A A . 12 GLN CB 1 1
10 2305 1 1 12 GLN CD C -0.277 -3.044 -5.021 1.00 . A A . 12 GLN CD 1 1
10 2306 1 1 12 GLN CG C 1.076 -3.376 -4.388 1.00 . A A . 12 GLN CG 1 1
10 2307 1 1 12 GLN H H 2.407 -2.414 -1.927 1.00 . A A . 12 GLN H 1 1
10 2308 1 1 12 GLN HA H 3.796 -3.364 -4.260 1.00 . A A . 12 GLN HA 1 1
10 2309 1 1 12 GLN HB2 H 1.553 -1.318 -3.947 1.00 . A A . 12 GLN HB2 1 1
10 2310 1 1 12 GLN HB3 H 2.182 -1.882 -5.483 1.00 . A A . 12 GLN HB3 1 1
10 2311 1 1 12 GLN HE21 H -1.018 -4.748 -4.214 1.00 . A A . 12 GLN HE21 1 1
10 2312 1 1 12 GLN HE22 H -2.145 -3.815 -5.143 1.00 . A A . 12 GLN HE22 1 1
10 2313 1 1 12 GLN HG2 H 1.529 -4.219 -4.909 1.00 . A A . 12 GLN HG2 1 1
10 2314 1 1 12 GLN HG3 H 0.932 -3.680 -3.352 1.00 . A A . 12 GLN HG3 1 1
10 2315 1 1 12 GLN N N 3.171 -2.866 -2.389 1.00 . A A . 12 GLN N 1 1
10 2316 1 1 12 GLN NE2 N -1.224 -3.944 -4.772 1.00 . A A . 12 GLN NE2 1 1
10 2317 1 1 12 GLN O O 5.036 -1.166 -4.873 1.00 . A A . 12 GLN O 1 1
10 2318 1 1 12 GLN OE1 O -0.449 -2.038 -5.690 1.00 . A A . 12 GLN OE1 1 1
10 2319 1 1 13 ABA C C 6.450 0.685 -3.317 1.00 . A A . 13 AIB C 1 1
10 2320 1 1 13 ABA CA C 4.983 0.807 -2.904 1.00 . A A . 13 AIB CA 1 1
10 2321 1 1 13 ABA H H 3.831 -0.667 -1.987 1.00 . A A . 13 AIB H 1 1
10 2322 1 1 13 ABA N N 4.299 -0.475 -2.849 1.00 . A A . 13 AIB N 1 1
10 2323 1 1 13 ABA O O 6.900 1.367 -4.236 1.00 . A A . 13 AIB O 1 1
10 2324 1 1 14 HYP C C 9.097 -0.856 -3.990 1.00 . A A . 14 HYP C 1 1
10 2325 1 1 14 HYP CA C 8.627 -0.234 -2.674 1.00 . A A . 14 HYP CA 1 1
10 2326 1 1 14 HYP CB C 9.073 -1.022 -1.452 1.00 . A A . 14 HYP CB 1 1
10 2327 1 1 14 HYP CD C 6.636 -1.227 -1.697 1.00 . A A . 14 HYP CD 1 1
10 2328 1 1 14 HYP CG C 7.854 -1.804 -0.993 1.00 . A A . 14 HYP CG 1 1
10 2329 1 1 14 HYP HA H 9.019 0.783 -2.665 1.00 . A A . 14 HYP HA 1 1
10 2330 1 1 14 HYP HB2 H 9.897 -1.691 -1.699 1.00 . A A . 14 HYP HB2 1 1
10 2331 1 1 14 HYP HB3 H 9.428 -0.354 -0.666 1.00 . A A . 14 HYP HB3 1 1
10 2332 1 1 14 HYP HD1 H 7.394 -2.302 0.951 1.00 . A A . 14 HYP HD1 1 1
10 2333 1 1 14 HYP HD22 H 6.096 -1.998 -2.246 1.00 . A A . 14 HYP HD22 1 1
10 2334 1 1 14 HYP HD23 H 5.937 -0.791 -0.985 1.00 . A A . 14 HYP HD23 1 1
10 2335 1 1 14 HYP HG H 7.961 -2.874 -1.171 1.00 . A A . 14 HYP HG 1 1
10 2336 1 1 14 HYP N N 7.177 -0.212 -2.598 1.00 . A A . 14 HYP N 1 1
10 2337 1 1 14 HYP O O 10.200 -0.570 -4.457 1.00 . A A . 14 HYP O 1 1
10 2338 1 1 14 HYP OD1 O 7.680 -1.483 0.452 1.00 . A A . 14 HYP OD1 1 1
10 2339 1 1 15 ABA C C 9.584 -2.090 -6.608 1.00 . A A . 15 AIB C 1 1
10 2340 1 1 15 ABA CA C 8.684 -2.682 -5.521 1.00 . A A . 15 AIB CA 1 1
10 2341 1 1 15 ABA H H 7.259 -1.707 -4.355 1.00 . A A . 15 AIB H 1 1
10 2342 1 1 15 ABA N N 8.240 -1.695 -4.552 1.00 . A A . 15 AIB N 1 1
10 2343 1 1 15 ABA O O 10.706 -2.553 -6.810 1.00 . A A . 15 AIB O 1 1
10 2344 1 1 16 PRO C C 10.915 0.176 -8.320 1.00 . A A . 16 PRO C 1 1
10 2345 1 1 16 PRO CA C 9.620 -0.605 -8.554 1.00 . A A . 16 PRO CA 1 1
10 2346 1 1 16 PRO CB C 8.533 0.231 -9.211 1.00 . A A . 16 PRO CB 1 1
10 2347 1 1 16 PRO CD C 7.876 -0.269 -6.896 1.00 . A A . 16 PRO CD 1 1
10 2348 1 1 16 PRO CG C 7.569 0.608 -8.099 1.00 . A A . 16 PRO CG 1 1
10 2349 1 1 16 PRO HA H 9.873 -1.393 -9.117 1.00 . A A . 16 PRO HA 1 1
10 2350 1 1 16 PRO HB2 H 8.954 1.119 -9.682 1.00 . A A . 16 PRO HB2 1 1
10 2351 1 1 16 PRO HB3 H 8.025 -0.335 -9.993 1.00 . A A . 16 PRO HB3 1 1
10 2352 1 1 16 PRO HD2 H 8.085 0.332 -6.011 1.00 . A A . 16 PRO HD2 1 1
10 2353 1 1 16 PRO HD3 H 7.033 -0.915 -6.652 1.00 . A A . 16 PRO HD3 1 1
10 2354 1 1 16 PRO HG2 H 7.677 1.662 -7.840 1.00 . A A . 16 PRO HG2 1 1
10 2355 1 1 16 PRO HG3 H 6.537 0.465 -8.422 1.00 . A A . 16 PRO HG3 1 1
10 2356 1 1 16 PRO N N 9.044 -1.049 -7.296 1.00 . A A . 16 PRO N 1 1
10 2357 1 1 16 PRO O O 11.655 0.454 -9.262 1.00 . A A . 16 PRO O 1 1
10 2358 1 1 17 PHL C C 13.408 0.351 -6.102 1.00 . A A . 17 PHL C 1 1
10 2359 1 1 17 PHL CA C 12.331 1.266 -6.691 1.00 . A A . 17 PHL CA 1 1
10 2360 1 1 17 PHL CB C 11.902 2.278 -5.627 1.00 . A A . 17 PHL CB 1 1
10 2361 1 1 17 PHL CD1 C 9.509 3.018 -5.606 1.00 . A A . 17 PHL CD1 1 1
10 2362 1 1 17 PHL CD2 C 11.032 4.227 -6.937 1.00 . A A . 17 PHL CD2 1 1
10 2363 1 1 17 PHL CE1 C 8.461 3.882 -6.020 1.00 . A A . 17 PHL CE1 1 1
10 2364 1 1 17 PHL CE2 C 9.983 5.091 -7.351 1.00 . A A . 17 PHL CE2 1 1
10 2365 1 1 17 PHL CG C 10.772 3.209 -6.073 1.00 . A A . 17 PHL CG 1 1
10 2366 1 1 17 PHL CZ C 8.720 4.900 -6.884 1.00 . A A . 17 PHL CZ 1 1
10 2367 1 1 17 PHL H2 H 10.547 0.267 -6.297 1.00 . A A . 17 PHL H2 1 1
10 2368 1 1 17 PHL HA H 12.711 1.733 -7.599 1.00 . A A . 17 PHL HA 1 1
10 2369 1 1 17 PHL HB2 H 11.583 1.739 -4.734 1.00 . A A . 17 PHL HB2 1 1
10 2370 1 1 17 PHL HB3 H 12.765 2.881 -5.343 1.00 . A A . 17 PHL HB3 1 1
10 2371 1 1 17 PHL HC1 H 13.544 -0.507 -6.762 1.00 . A A . 17 PHL HC1 1 1
10 2372 1 1 17 PHL HC2 H 13.088 0.016 -5.116 1.00 . A A . 17 PHL HC2 1 1
10 2373 1 1 17 PHL HD1 H 9.302 2.202 -4.914 1.00 . A A . 17 PHL HD1 1 1
10 2374 1 1 17 PHL HD2 H 12.043 4.379 -7.312 1.00 . A A . 17 PHL HD2 1 1
10 2375 1 1 17 PHL HE1 H 7.449 3.729 -5.646 1.00 . A A . 17 PHL HE1 1 1
10 2376 1 1 17 PHL HE2 H 10.190 5.906 -8.044 1.00 . A A . 17 PHL HE2 1 1
10 2377 1 1 17 PHL HO H 14.668 1.567 -5.133 1.00 . A A . 17 PHL HO 1 1
10 2378 1 1 17 PHL HZ H 7.915 5.562 -7.202 1.00 . A A . 17 PHL HZ 1 1
10 2379 1 1 17 PHL N N 11.148 0.508 -7.058 1.00 . A A . 17 PHL N 1 1
10 2380 1 1 17 PHL O O 14.660 1.019 -5.969 1.00 . A A . 17 PHL O 1 1
11 2381 1 1 1 ACE C C -9.717 2.726 4.198 1.00 . A A . 1 ACE C 1 1
11 2382 1 1 1 ACE CH3 C -11.065 2.264 4.636 1.00 . A A . 1 ACE CH3 1 1
11 2383 1 1 1 ACE H1 H -11.514 1.657 3.850 1.00 . A A . 1 ACE H1 1 1
11 2384 1 1 1 ACE H2 H -10.967 1.669 5.543 1.00 . A A . 1 ACE H2 1 1
11 2385 1 1 1 ACE H3 H -11.699 3.130 4.834 1.00 . A A . 1 ACE H3 1 1
11 2386 1 1 1 ACE O O -9.144 2.175 3.260 1.00 . A A . 1 ACE O 1 1
11 2387 1 1 2 TRP C C -6.860 3.249 4.915 1.00 . A A . 2 TRP C 1 1
11 2388 1 1 2 TRP CA C -7.918 4.299 4.570 1.00 . A A . 2 TRP CA 1 1
11 2389 1 1 2 TRP CB C -7.698 5.629 5.293 1.00 . A A . 2 TRP CB 1 1
11 2390 1 1 2 TRP CD1 C -6.062 6.643 3.573 1.00 . A A . 2 TRP CD1 1 1
11 2391 1 1 2 TRP CD2 C -5.451 6.993 5.674 1.00 . A A . 2 TRP CD2 1 1
11 2392 1 1 2 TRP CE2 C -4.500 7.580 4.864 1.00 . A A . 2 TRP CE2 1 1
11 2393 1 1 2 TRP CE3 C -5.349 7.039 7.075 1.00 . A A . 2 TRP CE3 1 1
11 2394 1 1 2 TRP CG C -6.454 6.391 4.830 1.00 . A A . 2 TRP CG 1 1
11 2395 1 1 2 TRP CH2 C -3.258 8.315 6.757 1.00 . A A . 2 TRP CH2 1 1
11 2396 1 1 2 TRP CZ2 C -3.380 8.257 5.363 1.00 . A A . 2 TRP CZ2 1 1
11 2397 1 1 2 TRP CZ3 C -4.224 7.718 7.558 1.00 . A A . 2 TRP CZ3 1 1
11 2398 1 1 2 TRP H H -9.694 4.183 5.651 1.00 . A A . 2 TRP H 1 1
11 2399 1 1 2 TRP HA H -7.898 4.511 3.501 1.00 . A A . 2 TRP HA 1 1
11 2400 1 1 2 TRP HB2 H -8.574 6.260 5.145 1.00 . A A . 2 TRP HB2 1 1
11 2401 1 1 2 TRP HB3 H -7.618 5.440 6.363 1.00 . A A . 2 TRP HB3 1 1
11 2402 1 1 2 TRP HD1 H -6.605 6.322 2.685 1.00 . A A . 2 TRP HD1 1 1
11 2403 1 1 2 TRP HE1 H -4.352 7.694 2.656 1.00 . A A . 2 TRP HE1 1 1
11 2404 1 1 2 TRP HE3 H -6.087 6.584 7.736 1.00 . A A . 2 TRP HE3 1 1
11 2405 1 1 2 TRP HH2 H -2.409 8.827 7.211 1.00 . A A . 2 TRP HH2 1 1
11 2406 1 1 2 TRP HZ2 H -2.643 8.712 4.702 1.00 . A A . 2 TRP HZ2 1 1
11 2407 1 1 2 TRP HZ3 H -4.097 7.784 8.639 1.00 . A A . 2 TRP HZ3 1 1
11 2408 1 1 2 TRP N N -9.223 3.743 4.888 1.00 . A A . 2 TRP N 1 1
11 2409 1 1 2 TRP NE1 N -4.884 7.361 3.546 1.00 . A A . 2 TRP NE1 1 1
11 2410 1 1 2 TRP O O -5.845 3.136 4.227 1.00 . A A . 2 TRP O 1 1
11 2411 1 1 3 ILE C C -6.188 0.325 5.463 1.00 . A A . 3 ILE C 1 1
11 2412 1 1 3 ILE CA C -6.197 1.497 6.445 1.00 . A A . 3 ILE CA 1 1
11 2413 1 1 3 ILE CB C -6.523 1.091 7.884 1.00 . A A . 3 ILE CB 1 1
11 2414 1 1 3 ILE CD1 C -4.279 -0.045 8.063 1.00 . A A . 3 ILE CD1 1 1
11 2415 1 1 3 ILE CG1 C -5.246 0.945 8.715 1.00 . A A . 3 ILE CG1 1 1
11 2416 1 1 3 ILE CG2 C -7.375 -0.179 7.916 1.00 . A A . 3 ILE CG2 1 1
11 2417 1 1 3 ILE H H -7.970 2.589 6.517 1.00 . A A . 3 ILE H 1 1
11 2418 1 1 3 ILE HA H -5.205 1.949 6.454 1.00 . A A . 3 ILE HA 1 1
11 2419 1 1 3 ILE HB H -7.113 1.886 8.338 1.00 . A A . 3 ILE HB 1 1
11 2420 1 1 3 ILE HD11 H -3.857 0.398 7.162 1.00 . A A . 3 ILE HD11 1 1
11 2421 1 1 3 ILE HD12 H -3.476 -0.281 8.762 1.00 . A A . 3 ILE HD12 1 1
11 2422 1 1 3 ILE HD13 H -4.814 -0.959 7.803 1.00 . A A . 3 ILE HD13 1 1
11 2423 1 1 3 ILE HG12 H -4.763 1.917 8.818 1.00 . A A . 3 ILE HG12 1 1
11 2424 1 1 3 ILE HG13 H -5.498 0.606 9.719 1.00 . A A . 3 ILE HG13 1 1
11 2425 1 1 3 ILE HG21 H -6.836 -0.991 7.429 1.00 . A A . 3 ILE HG21 1 1
11 2426 1 1 3 ILE HG22 H -7.586 -0.450 8.950 1.00 . A A . 3 ILE HG22 1 1
11 2427 1 1 3 ILE HG23 H -8.313 0.000 7.389 1.00 . A A . 3 ILE HG23 1 1
11 2428 1 1 3 ILE N N -7.132 2.507 5.978 1.00 . A A . 3 ILE N 1 1
11 2429 1 1 3 ILE O O -5.169 -0.344 5.299 1.00 . A A . 3 ILE O 1 1
11 2430 1 1 4 GLN C C -6.718 -0.529 2.552 1.00 . A A . 4 GLN C 1 1
11 2431 1 1 4 GLN CA C -7.455 -0.933 3.831 1.00 . A A . 4 GLN CA 1 1
11 2432 1 1 4 GLN CB C -8.923 -1.247 3.541 1.00 . A A . 4 GLN CB 1 1
11 2433 1 1 4 GLN CD C -11.056 -2.018 4.646 1.00 . A A . 4 GLN CD 1 1
11 2434 1 1 4 GLN CG C -9.529 -2.111 4.650 1.00 . A A . 4 GLN CG 1 1
11 2435 1 1 4 GLN H H -8.169 0.637 4.999 1.00 . A A . 4 GLN H 1 1
11 2436 1 1 4 GLN HA H -6.981 -1.811 4.269 1.00 . A A . 4 GLN HA 1 1
11 2437 1 1 4 GLN HB2 H -9.488 -0.319 3.450 1.00 . A A . 4 GLN HB2 1 1
11 2438 1 1 4 GLN HB3 H -9.007 -1.767 2.586 1.00 . A A . 4 GLN HB3 1 1
11 2439 1 1 4 GLN HE21 H -11.092 -3.459 3.224 1.00 . A A . 4 GLN HE21 1 1
11 2440 1 1 4 GLN HE22 H -12.643 -2.863 3.713 1.00 . A A . 4 GLN HE22 1 1
11 2441 1 1 4 GLN HG2 H -9.222 -3.148 4.516 1.00 . A A . 4 GLN HG2 1 1
11 2442 1 1 4 GLN HG3 H -9.144 -1.788 5.618 1.00 . A A . 4 GLN HG3 1 1
11 2443 1 1 4 GLN N N -7.334 0.111 4.834 1.00 . A A . 4 GLN N 1 1
11 2444 1 1 4 GLN NE2 N -11.645 -2.849 3.790 1.00 . A A . 4 GLN NE2 1 1
11 2445 1 1 4 GLN O O -5.917 -1.298 2.023 1.00 . A A . 4 GLN O 1 1
11 2446 1 1 4 GLN OE1 O -11.659 -1.245 5.371 1.00 . A A . 4 GLN OE1 1 1
11 2447 1 1 5 . C C -4.736 1.158 1.221 1.00 . A A . 5 DIV C 1 1
11 2448 1 1 5 . CA C -6.247 1.279 1.015 1.00 . A A . 5 DIV CA 1 1
11 2449 1 1 5 . CB1 C -6.599 0.603 -0.311 1.00 . A A . 5 DIV CB1 1 1
11 2450 1 1 5 . CB2 C -6.599 2.765 0.957 1.00 . A A . 5 DIV CB2 1 1
11 2451 1 1 5 . CG1 C -8.081 0.728 -0.670 1.00 . A A . 5 DIV CG1 1 1
11 2452 1 1 5 . H H -7.766 1.240 2.441 1.00 . A A . 5 DIV H 1 1
11 2453 1 1 5 . HB11 H -6.359 -0.459 -0.251 1.00 . A A . 5 DIV HB11 1 1
11 2454 1 1 5 . HB12 H -6.023 1.059 -1.116 1.00 . A A . 5 DIV HB12 1 1
11 2455 1 1 5 . HB21 H -6.182 3.200 0.048 1.00 . A A . 5 DIV HB21 1 1
11 2456 1 1 5 . HB22 H -7.683 2.880 0.950 1.00 . A A . 5 DIV HB22 1 1
11 2457 1 1 5 . HB23 H -6.184 3.272 1.828 1.00 . A A . 5 DIV HB23 1 1
11 2458 1 1 5 . HG11 H -8.310 1.765 -0.913 1.00 . A A . 5 DIV HG11 1 1
11 2459 1 1 5 . HG12 H -8.301 0.096 -1.531 1.00 . A A . 5 DIV HG12 1 1
11 2460 1 1 5 . HG13 H -8.688 0.413 0.177 1.00 . A A . 5 DIV HG13 1 1
11 2461 1 1 5 . N N -7.016 0.678 2.092 1.00 . A A . 5 DIV N 1 1
11 2462 1 1 5 . O O -4.009 0.773 0.306 1.00 . A A . 5 DIV O 1 1
11 2463 1 1 6 ILE C C -2.443 -0.052 2.670 1.00 . A A . 6 ILE C 1 1
11 2464 1 1 6 ILE CA C -2.899 1.405 2.774 1.00 . A A . 6 ILE CA 1 1
11 2465 1 1 6 ILE CB C -2.643 2.031 4.147 1.00 . A A . 6 ILE CB 1 1
11 2466 1 1 6 ILE CD1 C -2.842 4.177 5.458 1.00 . A A . 6 ILE CD1 1 1
11 2467 1 1 6 ILE CG1 C -2.679 3.559 4.067 1.00 . A A . 6 ILE CG1 1 1
11 2468 1 1 6 ILE CG2 C -1.333 1.519 4.748 1.00 . A A . 6 ILE CG2 1 1
11 2469 1 1 6 ILE H H -4.903 1.821 3.162 1.00 . A A . 6 ILE H 1 1
11 2470 1 1 6 ILE HA H -2.346 1.994 2.043 1.00 . A A . 6 ILE HA 1 1
11 2471 1 1 6 ILE HB H -3.447 1.724 4.817 1.00 . A A . 6 ILE HB 1 1
11 2472 1 1 6 ILE HD11 H -3.645 3.666 5.990 1.00 . A A . 6 ILE HD11 1 1
11 2473 1 1 6 ILE HD12 H -1.911 4.069 6.015 1.00 . A A . 6 ILE HD12 1 1
11 2474 1 1 6 ILE HD13 H -3.086 5.234 5.359 1.00 . A A . 6 ILE HD13 1 1
11 2475 1 1 6 ILE HG12 H -1.760 3.924 3.609 1.00 . A A . 6 ILE HG12 1 1
11 2476 1 1 6 ILE HG13 H -3.503 3.874 3.427 1.00 . A A . 6 ILE HG13 1 1
11 2477 1 1 6 ILE HG21 H -1.120 2.061 5.670 1.00 . A A . 6 ILE HG21 1 1
11 2478 1 1 6 ILE HG22 H -1.425 0.454 4.965 1.00 . A A . 6 ILE HG22 1 1
11 2479 1 1 6 ILE HG23 H -0.521 1.676 4.039 1.00 . A A . 6 ILE HG23 1 1
11 2480 1 1 6 ILE N N -4.307 1.494 2.429 1.00 . A A . 6 ILE N 1 1
11 2481 1 1 6 ILE O O -1.505 -0.361 1.936 1.00 . A A . 6 ILE O 1 1
11 2482 1 1 7 THR C C -2.535 -2.921 2.148 1.00 . A A . 7 THR C 1 1
11 2483 1 1 7 THR CA C -2.711 -2.295 3.533 1.00 . A A . 7 THR CA 1 1
11 2484 1 1 7 THR CB C -3.737 -3.023 4.403 1.00 . A A . 7 THR CB 1 1
11 2485 1 1 7 THR CG2 C -3.415 -4.510 4.570 1.00 . A A . 7 THR CG2 1 1
11 2486 1 1 7 THR H H -3.952 -0.669 3.925 1.00 . A A . 7 THR H 1 1
11 2487 1 1 7 THR HA H -1.737 -2.320 4.021 1.00 . A A . 7 THR HA 1 1
11 2488 1 1 7 THR HB H -4.746 -2.885 4.013 1.00 . A A . 7 THR HB 1 1
11 2489 1 1 7 THR HG1 H -4.309 -2.715 6.296 1.00 . A A . 7 THR HG1 1 1
11 2490 1 1 7 THR HG21 H -2.349 -4.631 4.763 1.00 . A A . 7 THR HG21 1 1
11 2491 1 1 7 THR HG22 H -3.984 -4.913 5.406 1.00 . A A . 7 THR HG22 1 1
11 2492 1 1 7 THR HG23 H -3.681 -5.043 3.658 1.00 . A A . 7 THR HG23 1 1
11 2493 1 1 7 THR N N -3.128 -0.908 3.412 1.00 . A A . 7 THR N 1 1
11 2494 1 1 7 THR O O -1.544 -3.604 1.893 1.00 . A A . 7 THR O 1 1
11 2495 1 1 7 THR OG1 O -3.539 -2.477 5.705 1.00 . A A . 7 THR OG1 1 1
11 2496 1 1 8 ABA C C -2.373 -2.760 -0.920 1.00 . A A . 8 AIB C 1 1
11 2497 1 1 8 ABA CA C -3.516 -3.261 -0.036 1.00 . A A . 8 AIB CA 1 1
11 2498 1 1 8 ABA H H -4.288 -2.068 1.488 1.00 . A A . 8 AIB H 1 1
11 2499 1 1 8 ABA N N -3.512 -2.666 1.290 1.00 . A A . 8 AIB N 1 1
11 2500 1 1 8 ABA O O -1.848 -3.507 -1.745 1.00 . A A . 8 AIB O 1 1
11 2501 1 1 9 LEU C C 0.353 -1.040 -0.985 1.00 . A A . 9 LEU C 1 1
11 2502 1 1 9 LEU CA C -1.045 -0.848 -1.575 1.00 . A A . 9 LEU CA 1 1
11 2503 1 1 9 LEU CB C -1.421 0.619 -1.799 1.00 . A A . 9 LEU CB 1 1
11 2504 1 1 9 LEU CD1 C -3.093 2.343 -2.567 1.00 . A A . 9 LEU CD1 1 1
11 2505 1 1 9 LEU CD2 C -2.533 0.362 -4.048 1.00 . A A . 9 LEU CD2 1 1
11 2506 1 1 9 LEU CG C -2.693 0.868 -2.613 1.00 . A A . 9 LEU CG 1 1
11 2507 1 1 9 LEU H H -2.391 -0.925 0.014 1.00 . A A . 9 LEU H 1 1
11 2508 1 1 9 LEU HA H -1.082 -1.341 -2.546 1.00 . A A . 9 LEU HA 1 1
11 2509 1 1 9 LEU HB2 H -1.538 1.096 -0.826 1.00 . A A . 9 LEU HB2 1 1
11 2510 1 1 9 LEU HB3 H -0.590 1.113 -2.300 1.00 . A A . 9 LEU HB3 1 1
11 2511 1 1 9 LEU HD11 H -3.252 2.645 -1.531 1.00 . A A . 9 LEU HD11 1 1
11 2512 1 1 9 LEU HD12 H -2.300 2.949 -3.005 1.00 . A A . 9 LEU HD12 1 1
11 2513 1 1 9 LEU HD13 H -4.014 2.488 -3.131 1.00 . A A . 9 LEU HD13 1 1
11 2514 1 1 9 LEU HD21 H -1.487 0.443 -4.348 1.00 . A A . 9 LEU HD21 1 1
11 2515 1 1 9 LEU HD22 H -2.847 -0.680 -4.104 1.00 . A A . 9 LEU HD22 1 1
11 2516 1 1 9 LEU HD23 H -3.149 0.963 -4.717 1.00 . A A . 9 LEU HD23 1 1
11 2517 1 1 9 LEU HG H -3.505 0.299 -2.161 1.00 . A A . 9 LEU HG 1 1
11 2518 1 1 9 LEU N N -2.022 -1.498 -0.718 1.00 . A A . 9 LEU N 1 1
11 2519 1 1 9 LEU O O 1.354 -0.853 -1.676 1.00 . A A . 9 LEU O 1 1
11 2520 1 1 10 ABA C C 2.764 -2.120 0.314 1.00 . A A . 10 AIB C 1 1
11 2521 1 1 10 ABA CA C 1.620 -1.412 1.042 1.00 . A A . 10 AIB CA 1 1
11 2522 1 1 10 ABA H H -0.428 -1.711 0.797 1.00 . A A . 10 AIB H 1 1
11 2523 1 1 10 ABA N N 0.379 -1.413 0.286 1.00 . A A . 10 AIB N 1 1
11 2524 1 1 10 ABA O O 3.846 -1.558 0.154 1.00 . A A . 10 AIB O 1 1
11 2525 1 1 11 HYP C C 3.955 -3.827 -2.033 1.00 . A A . 11 HYP C 1 1
11 2526 1 1 11 HYP CA C 3.521 -4.249 -0.628 1.00 . A A . 11 HYP CA 1 1
11 2527 1 1 11 HYP CB C 2.922 -5.645 -0.586 1.00 . A A . 11 HYP CB 1 1
11 2528 1 1 11 HYP CD C 1.155 -3.998 -0.138 1.00 . A A . 11 HYP CD 1 1
11 2529 1 1 11 HYP CG C 1.417 -5.451 -0.498 1.00 . A A . 11 HYP CG 1 1
11 2530 1 1 11 HYP HA H 4.411 -4.173 -0.003 1.00 . A A . 11 HYP HA 1 1
11 2531 1 1 11 HYP HB2 H 3.190 -6.213 -1.477 1.00 . A A . 11 HYP HB2 1 1
11 2532 1 1 11 HYP HB3 H 3.295 -6.205 0.272 1.00 . A A . 11 HYP HB3 1 1
11 2533 1 1 11 HYP HD1 H 1.047 -7.227 0.475 1.00 . A A . 11 HYP HD1 1 1
11 2534 1 1 11 HYP HD22 H 0.504 -3.520 -0.868 1.00 . A A . 11 HYP HD22 1 1
11 2535 1 1 11 HYP HD23 H 0.665 -3.912 0.831 1.00 . A A . 11 HYP HD23 1 1
11 2536 1 1 11 HYP HG H 0.910 -5.742 -1.418 1.00 . A A . 11 HYP HG 1 1
11 2537 1 1 11 HYP N N 2.477 -3.377 -0.119 1.00 . A A . 11 HYP N 1 1
11 2538 1 1 11 HYP O O 4.991 -4.269 -2.527 1.00 . A A . 11 HYP O 1 1
11 2539 1 1 11 HYP OD1 O 0.967 -6.251 0.676 1.00 . A A . 11 HYP OD1 1 1
11 2540 1 1 12 GLN C C 4.307 -1.339 -4.036 1.00 . A A . 12 GLN C 1 1
11 2541 1 1 12 GLN CA C 3.378 -2.555 -4.008 1.00 . A A . 12 GLN CA 1 1
11 2542 1 1 12 GLN CB C 2.061 -2.256 -4.727 1.00 . A A . 12 GLN CB 1 1
11 2543 1 1 12 GLN CD C 0.978 -4.474 -4.209 1.00 . A A . 12 GLN CD 1 1
11 2544 1 1 12 GLN CG C 1.456 -3.531 -5.316 1.00 . A A . 12 GLN CG 1 1
11 2545 1 1 12 GLN H H 2.330 -2.575 -2.207 1.00 . A A . 12 GLN H 1 1
11 2546 1 1 12 GLN HA H 3.864 -3.403 -4.491 1.00 . A A . 12 GLN HA 1 1
11 2547 1 1 12 GLN HB2 H 1.356 -1.802 -4.029 1.00 . A A . 12 GLN HB2 1 1
11 2548 1 1 12 GLN HB3 H 2.233 -1.529 -5.521 1.00 . A A . 12 GLN HB3 1 1
11 2549 1 1 12 GLN HE21 H -0.813 -3.529 -4.243 1.00 . A A . 12 GLN HE21 1 1
11 2550 1 1 12 GLN HE22 H -0.678 -4.822 -3.098 1.00 . A A . 12 GLN HE22 1 1
11 2551 1 1 12 GLN HG2 H 0.618 -3.274 -5.965 1.00 . A A . 12 GLN HG2 1 1
11 2552 1 1 12 GLN HG3 H 2.196 -4.037 -5.935 1.00 . A A . 12 GLN HG3 1 1
11 2553 1 1 12 GLN N N 3.140 -2.975 -2.637 1.00 . A A . 12 GLN N 1 1
11 2554 1 1 12 GLN NE2 N -0.274 -4.256 -3.817 1.00 . A A . 12 GLN NE2 1 1
11 2555 1 1 12 GLN O O 5.098 -1.180 -4.964 1.00 . A A . 12 GLN O 1 1
11 2556 1 1 12 GLN OE1 O 1.699 -5.338 -3.741 1.00 . A A . 12 GLN OE1 1 1
11 2557 1 1 13 ABA C C 6.320 0.700 -3.375 1.00 . A A . 13 AIB C 1 1
11 2558 1 1 13 ABA CA C 4.839 0.781 -3.002 1.00 . A A . 13 AIB CA 1 1
11 2559 1 1 13 ABA H H 3.640 -0.717 -2.191 1.00 . A A . 13 AIB H 1 1
11 2560 1 1 13 ABA N N 4.180 -0.514 -3.008 1.00 . A A . 13 AIB N 1 1
11 2561 1 1 13 ABA O O 6.766 1.362 -4.311 1.00 . A A . 13 AIB O 1 1
11 2562 1 1 14 HYP C C 9.060 -0.730 -3.907 1.00 . A A . 14 HYP C 1 1
11 2563 1 1 14 HYP CA C 8.514 -0.092 -2.628 1.00 . A A . 14 HYP CA 1 1
11 2564 1 1 14 HYP CB C 8.952 -0.818 -1.367 1.00 . A A . 14 HYP CB 1 1
11 2565 1 1 14 HYP CD C 6.538 -1.150 -1.689 1.00 . A A . 14 HYP CD 1 1
11 2566 1 1 14 HYP CG C 7.756 -1.645 -0.925 1.00 . A A . 14 HYP CG 1 1
11 2567 1 1 14 HYP HA H 8.856 0.943 -2.638 1.00 . A A . 14 HYP HA 1 1
11 2568 1 1 14 HYP HB2 H 9.816 -1.455 -1.564 1.00 . A A . 14 HYP HB2 1 1
11 2569 1 1 14 HYP HB3 H 9.247 -0.112 -0.592 1.00 . A A . 14 HYP HB3 1 1
11 2570 1 1 14 HYP HD1 H 6.651 -1.685 0.811 1.00 . A A . 14 HYP HD1 1 1
11 2571 1 1 14 HYP HD22 H 6.054 -1.962 -2.232 1.00 . A A . 14 HYP HD22 1 1
11 2572 1 1 14 HYP HD23 H 5.793 -0.727 -1.015 1.00 . A A . 14 HYP HD23 1 1
11 2573 1 1 14 HYP HG H 7.920 -2.713 -1.065 1.00 . A A . 14 HYP HG 1 1
11 2574 1 1 14 HYP N N 7.062 -0.138 -2.603 1.00 . A A . 14 HYP N 1 1
11 2575 1 1 14 HYP O O 10.169 -0.415 -4.337 1.00 . A A . 14 HYP O 1 1
11 2576 1 1 14 HYP OD1 O 7.516 -1.289 0.501 1.00 . A A . 14 HYP OD1 1 1
11 2577 1 1 15 ABA C C 9.709 -2.037 -6.455 1.00 . A A . 15 AIB C 1 1
11 2578 1 1 15 ABA CA C 8.778 -2.620 -5.389 1.00 . A A . 15 AIB CA 1 1
11 2579 1 1 15 ABA H H 7.269 -1.652 -4.329 1.00 . A A . 15 AIB H 1 1
11 2580 1 1 15 ABA N N 8.257 -1.615 -4.478 1.00 . A A . 15 AIB N 1 1
11 2581 1 1 15 ABA O O 10.852 -2.470 -6.591 1.00 . A A . 15 AIB O 1 1
11 2582 1 1 16 PRO C C 11.047 0.240 -8.146 1.00 . A A . 16 PRO C 1 1
11 2583 1 1 16 PRO CA C 9.801 -0.600 -8.435 1.00 . A A . 16 PRO CA 1 1
11 2584 1 1 16 PRO CB C 8.723 0.173 -9.177 1.00 . A A . 16 PRO CB 1 1
11 2585 1 1 16 PRO CD C 7.950 -0.296 -6.892 1.00 . A A . 16 PRO CD 1 1
11 2586 1 1 16 PRO CG C 7.679 0.538 -8.134 1.00 . A A . 16 PRO CG 1 1
11 2587 1 1 16 PRO HA H 10.120 -1.389 -8.960 1.00 . A A . 16 PRO HA 1 1
11 2588 1 1 16 PRO HB2 H 9.135 1.067 -9.646 1.00 . A A . 16 PRO HB2 1 1
11 2589 1 1 16 PRO HB3 H 8.287 -0.431 -9.972 1.00 . A A . 16 PRO HB3 1 1
11 2590 1 1 16 PRO HD2 H 8.081 0.334 -6.013 1.00 . A A . 16 PRO HD2 1 1
11 2591 1 1 16 PRO HD3 H 7.120 -0.971 -6.680 1.00 . A A . 16 PRO HD3 1 1
11 2592 1 1 16 PRO HG2 H 7.730 1.601 -7.898 1.00 . A A . 16 PRO HG2 1 1
11 2593 1 1 16 PRO HG3 H 6.677 0.343 -8.513 1.00 . A A . 16 PRO HG3 1 1
11 2594 1 1 16 PRO N N 9.170 -1.036 -7.202 1.00 . A A . 16 PRO N 1 1
11 2595 1 1 16 PRO O O 11.844 0.506 -9.045 1.00 . A A . 16 PRO O 1 1
11 2596 1 1 17 PHL C C 13.383 0.613 -5.802 1.00 . A A . 17 PHL C 1 1
11 2597 1 1 17 PHL CA C 12.300 1.458 -6.474 1.00 . A A . 17 PHL CA 1 1
11 2598 1 1 17 PHL CB C 11.762 2.474 -5.464 1.00 . A A . 17 PHL CB 1 1
11 2599 1 1 17 PHL CD1 C 10.934 4.379 -6.864 1.00 . A A . 17 PHL CD1 1 1
11 2600 1 1 17 PHL CD2 C 9.352 3.132 -5.642 1.00 . A A . 17 PHL CD2 1 1
11 2601 1 1 17 PHL CE1 C 9.894 5.201 -7.371 1.00 . A A . 17 PHL CE1 1 1
11 2602 1 1 17 PHL CE2 C 8.312 3.956 -6.149 1.00 . A A . 17 PHL CE2 1 1
11 2603 1 1 17 PHL CG C 10.641 3.361 -6.011 1.00 . A A . 17 PHL CG 1 1
11 2604 1 1 17 PHL CZ C 8.606 4.974 -7.003 1.00 . A A . 17 PHL CZ 1 1
11 2605 1 1 17 PHL H2 H 10.533 0.401 -6.160 1.00 . A A . 17 PHL H2 1 1
11 2606 1 1 17 PHL HA H 12.709 1.922 -7.372 1.00 . A A . 17 PHL HA 1 1
11 2607 1 1 17 PHL HB2 H 11.393 1.939 -4.588 1.00 . A A . 17 PHL HB2 1 1
11 2608 1 1 17 PHL HB3 H 12.582 3.109 -5.130 1.00 . A A . 17 PHL HB3 1 1
11 2609 1 1 17 PHL HC1 H 13.671 -0.195 -6.475 1.00 . A A . 17 PHL HC1 1 1
11 2610 1 1 17 PHL HC2 H 12.985 0.201 -4.874 1.00 . A A . 17 PHL HC2 1 1
11 2611 1 1 17 PHL HD1 H 11.967 4.562 -7.159 1.00 . A A . 17 PHL HD1 1 1
11 2612 1 1 17 PHL HD2 H 9.117 2.317 -4.958 1.00 . A A . 17 PHL HD2 1 1
11 2613 1 1 17 PHL HE1 H 10.129 6.018 -8.055 1.00 . A A . 17 PHL HE1 1 1
11 2614 1 1 17 PHL HE2 H 7.279 3.773 -5.854 1.00 . A A . 17 PHL HE2 1 1
11 2615 1 1 17 PHL HO H 15.223 1.275 -6.219 1.00 . A A . 17 PHL HO 1 1
11 2616 1 1 17 PHL HZ H 7.807 5.605 -7.392 1.00 . A A . 17 PHL HZ 1 1
11 2617 1 1 17 PHL N N 11.177 0.635 -6.888 1.00 . A A . 17 PHL N 1 1
11 2618 1 1 17 PHL O O 14.544 1.378 -5.494 1.00 . A A . 17 PHL O 1 1
12 2619 1 1 1 ACE C C -9.616 2.939 4.141 1.00 . A A . 1 ACE C 1 1
12 2620 1 1 1 ACE CH3 C -10.991 2.596 4.600 1.00 . A A . 1 ACE CH3 1 1
12 2621 1 1 1 ACE H1 H -11.404 1.815 3.962 1.00 . A A . 1 ACE H1 1 1
12 2622 1 1 1 ACE H2 H -10.952 2.240 5.630 1.00 . A A . 1 ACE H2 1 1
12 2623 1 1 1 ACE H3 H -11.624 3.482 4.546 1.00 . A A . 1 ACE H3 1 1
12 2624 1 1 1 ACE O O -9.090 2.313 3.222 1.00 . A A . 1 ACE O 1 1
12 2625 1 1 2 TRP C C -6.737 3.225 4.823 1.00 . A A . 2 TRP C 1 1
12 2626 1 1 2 TRP CA C -7.691 4.367 4.468 1.00 . A A . 2 TRP CA 1 1
12 2627 1 1 2 TRP CB C -7.345 5.678 5.175 1.00 . A A . 2 TRP CB 1 1
12 2628 1 1 2 TRP CD1 C -8.762 7.781 4.695 1.00 . A A . 2 TRP CD1 1 1
12 2629 1 1 2 TRP CD2 C -7.160 7.445 3.201 1.00 . A A . 2 TRP CD2 1 1
12 2630 1 1 2 TRP CE2 C -7.837 8.589 2.831 1.00 . A A . 2 TRP CE2 1 1
12 2631 1 1 2 TRP CE3 C -6.077 6.958 2.450 1.00 . A A . 2 TRP CE3 1 1
12 2632 1 1 2 TRP CG C -7.767 6.931 4.406 1.00 . A A . 2 TRP CG 1 1
12 2633 1 1 2 TRP CH2 C -6.428 8.878 0.934 1.00 . A A . 2 TRP CH2 1 1
12 2634 1 1 2 TRP CZ2 C -7.504 9.344 1.699 1.00 . A A . 2 TRP CZ2 1 1
12 2635 1 1 2 TRP CZ3 C -5.757 7.723 1.321 1.00 . A A . 2 TRP CZ3 1 1
12 2636 1 1 2 TRP H H -9.482 4.455 5.527 1.00 . A A . 2 TRP H 1 1
12 2637 1 1 2 TRP HA H -7.653 4.565 3.396 1.00 . A A . 2 TRP HA 1 1
12 2638 1 1 2 TRP HB2 H -7.824 5.687 6.156 1.00 . A A . 2 TRP HB2 1 1
12 2639 1 1 2 TRP HB3 H -6.270 5.713 5.347 1.00 . A A . 2 TRP HB3 1 1
12 2640 1 1 2 TRP HD1 H -9.425 7.680 5.554 1.00 . A A . 2 TRP HD1 1 1
12 2641 1 1 2 TRP HE1 H -9.560 9.620 3.771 1.00 . A A . 2 TRP HE1 1 1
12 2642 1 1 2 TRP HE3 H -5.527 6.057 2.721 1.00 . A A . 2 TRP HE3 1 1
12 2643 1 1 2 TRP HH2 H -6.117 9.418 0.041 1.00 . A A . 2 TRP HH2 1 1
12 2644 1 1 2 TRP HZ2 H -8.054 10.245 1.428 1.00 . A A . 2 TRP HZ2 1 1
12 2645 1 1 2 TRP HZ3 H -4.925 7.389 0.702 1.00 . A A . 2 TRP HZ3 1 1
12 2646 1 1 2 TRP N N -9.041 3.940 4.792 1.00 . A A . 2 TRP N 1 1
12 2647 1 1 2 TRP NE1 N -8.841 8.800 3.767 1.00 . A A . 2 TRP NE1 1 1
12 2648 1 1 2 TRP O O -5.768 2.976 4.107 1.00 . A A . 2 TRP O 1 1
12 2649 1 1 3 ILE C C -6.260 0.291 5.544 1.00 . A A . 3 ILE C 1 1
12 2650 1 1 3 ILE CA C -6.168 1.524 6.446 1.00 . A A . 3 ILE CA 1 1
12 2651 1 1 3 ILE CB C -6.485 1.237 7.914 1.00 . A A . 3 ILE CB 1 1
12 2652 1 1 3 ILE CD1 C -4.257 1.680 9.008 1.00 . A A . 3 ILE CD1 1 1
12 2653 1 1 3 ILE CG1 C -5.697 2.168 8.838 1.00 . A A . 3 ILE CG1 1 1
12 2654 1 1 3 ILE CG2 C -6.250 -0.237 8.248 1.00 . A A . 3 ILE CG2 1 1
12 2655 1 1 3 ILE H H -7.869 2.726 6.468 1.00 . A A . 3 ILE H 1 1
12 2656 1 1 3 ILE HA H -5.147 1.906 6.405 1.00 . A A . 3 ILE HA 1 1
12 2657 1 1 3 ILE HB H -7.543 1.440 8.081 1.00 . A A . 3 ILE HB 1 1
12 2658 1 1 3 ILE HD11 H -3.656 2.471 9.457 1.00 . A A . 3 ILE HD11 1 1
12 2659 1 1 3 ILE HD12 H -4.245 0.803 9.655 1.00 . A A . 3 ILE HD12 1 1
12 2660 1 1 3 ILE HD13 H -3.844 1.419 8.034 1.00 . A A . 3 ILE HD13 1 1
12 2661 1 1 3 ILE HG12 H -5.696 3.178 8.428 1.00 . A A . 3 ILE HG12 1 1
12 2662 1 1 3 ILE HG13 H -6.184 2.219 9.811 1.00 . A A . 3 ILE HG13 1 1
12 2663 1 1 3 ILE HG21 H -6.994 -0.848 7.739 1.00 . A A . 3 ILE HG21 1 1
12 2664 1 1 3 ILE HG22 H -5.252 -0.529 7.919 1.00 . A A . 3 ILE HG22 1 1
12 2665 1 1 3 ILE HG23 H -6.333 -0.383 9.326 1.00 . A A . 3 ILE HG23 1 1
12 2666 1 1 3 ILE N N -7.042 2.563 5.929 1.00 . A A . 3 ILE N 1 1
12 2667 1 1 3 ILE O O -5.306 -0.478 5.440 1.00 . A A . 3 ILE O 1 1
12 2668 1 1 4 GLN C C -6.845 -0.595 2.652 1.00 . A A . 4 GLN C 1 1
12 2669 1 1 4 GLN CA C -7.606 -0.917 3.940 1.00 . A A . 4 GLN CA 1 1
12 2670 1 1 4 GLN CB C -9.094 -1.141 3.656 1.00 . A A . 4 GLN CB 1 1
12 2671 1 1 4 GLN CD C -11.211 -2.245 4.465 1.00 . A A . 4 GLN CD 1 1
12 2672 1 1 4 GLN CG C -9.694 -2.150 4.636 1.00 . A A . 4 GLN CG 1 1
12 2673 1 1 4 GLN H H -8.214 0.727 5.066 1.00 . A A . 4 GLN H 1 1
12 2674 1 1 4 GLN HA H -7.192 -1.814 4.401 1.00 . A A . 4 GLN HA 1 1
12 2675 1 1 4 GLN HB2 H -9.628 -0.193 3.730 1.00 . A A . 4 GLN HB2 1 1
12 2676 1 1 4 GLN HB3 H -9.223 -1.500 2.634 1.00 . A A . 4 GLN HB3 1 1
12 2677 1 1 4 GLN HE21 H -11.134 -4.115 5.236 1.00 . A A . 4 GLN HE21 1 1
12 2678 1 1 4 GLN HE22 H -12.714 -3.560 4.793 1.00 . A A . 4 GLN HE22 1 1
12 2679 1 1 4 GLN HG2 H -9.245 -3.130 4.476 1.00 . A A . 4 GLN HG2 1 1
12 2680 1 1 4 GLN HG3 H -9.457 -1.854 5.658 1.00 . A A . 4 GLN HG3 1 1
12 2681 1 1 4 GLN N N -7.417 0.142 4.917 1.00 . A A . 4 GLN N 1 1
12 2682 1 1 4 GLN NE2 N -11.730 -3.403 4.865 1.00 . A A . 4 GLN NE2 1 1
12 2683 1 1 4 GLN O O -6.088 -1.424 2.151 1.00 . A A . 4 GLN O 1 1
12 2684 1 1 4 GLN OE1 O -11.868 -1.327 4.002 1.00 . A A . 4 GLN OE1 1 1
12 2685 1 1 5 . C C -4.796 0.911 1.195 1.00 . A A . 5 DIV C 1 1
12 2686 1 1 5 . CA C -6.303 1.113 1.028 1.00 . A A . 5 DIV CA 1 1
12 2687 1 1 5 . CB1 C -6.737 0.398 -0.252 1.00 . A A . 5 DIV CB1 1 1
12 2688 1 1 5 . CB2 C -6.568 2.614 0.907 1.00 . A A . 5 DIV CB2 1 1
12 2689 1 1 5 . CG1 C -8.206 0.647 -0.607 1.00 . A A . 5 DIV CG1 1 1
12 2690 1 1 5 . H H -7.763 1.242 2.509 1.00 . A A . 5 DIV H 1 1
12 2691 1 1 5 . HB11 H -6.602 -0.676 -0.131 1.00 . A A . 5 DIV HB11 1 1
12 2692 1 1 5 . HB12 H -6.131 0.748 -1.088 1.00 . A A . 5 DIV HB12 1 1
12 2693 1 1 5 . HB21 H -6.154 2.979 -0.033 1.00 . A A . 5 DIV HB21 1 1
12 2694 1 1 5 . HB22 H -7.643 2.796 0.924 1.00 . A A . 5 DIV HB22 1 1
12 2695 1 1 5 . HB23 H -6.097 3.135 1.740 1.00 . A A . 5 DIV HB23 1 1
12 2696 1 1 5 . HG11 H -8.508 -0.038 -1.398 1.00 . A A . 5 DIV HG11 1 1
12 2697 1 1 5 . HG12 H -8.825 0.480 0.274 1.00 . A A . 5 DIV HG12 1 1
12 2698 1 1 5 . HG13 H -8.328 1.674 -0.948 1.00 . A A . 5 DIV HG13 1 1
12 2699 1 1 5 . N N -7.071 0.612 2.155 1.00 . A A . 5 DIV N 1 1
12 2700 1 1 5 . O O -4.127 0.418 0.287 1.00 . A A . 5 DIV O 1 1
12 2701 1 1 6 ILE C C -2.305 -0.027 2.762 1.00 . A A . 6 ILE C 1 1
12 2702 1 1 6 ILE CA C -2.871 1.384 2.581 1.00 . A A . 6 ILE CA 1 1
12 2703 1 1 6 ILE CB C -2.560 2.325 3.745 1.00 . A A . 6 ILE CB 1 1
12 2704 1 1 6 ILE CD1 C -0.965 4.075 4.616 1.00 . A A . 6 ILE CD1 1 1
12 2705 1 1 6 ILE CG1 C -1.190 2.985 3.567 1.00 . A A . 6 ILE CG1 1 1
12 2706 1 1 6 ILE CG2 C -2.674 1.597 5.085 1.00 . A A . 6 ILE CG2 1 1
12 2707 1 1 6 ILE H H -4.867 1.558 3.148 1.00 . A A . 6 ILE H 1 1
12 2708 1 1 6 ILE HA H -2.428 1.820 1.686 1.00 . A A . 6 ILE HA 1 1
12 2709 1 1 6 ILE HB H -3.302 3.123 3.747 1.00 . A A . 6 ILE HB 1 1
12 2710 1 1 6 ILE HD11 H -0.839 3.614 5.597 1.00 . A A . 6 ILE HD11 1 1
12 2711 1 1 6 ILE HD12 H -0.069 4.643 4.364 1.00 . A A . 6 ILE HD12 1 1
12 2712 1 1 6 ILE HD13 H -1.826 4.744 4.636 1.00 . A A . 6 ILE HD13 1 1
12 2713 1 1 6 ILE HG12 H -0.407 2.231 3.647 1.00 . A A . 6 ILE HG12 1 1
12 2714 1 1 6 ILE HG13 H -1.118 3.416 2.568 1.00 . A A . 6 ILE HG13 1 1
12 2715 1 1 6 ILE HG21 H -1.808 0.950 5.223 1.00 . A A . 6 ILE HG21 1 1
12 2716 1 1 6 ILE HG22 H -2.714 2.327 5.894 1.00 . A A . 6 ILE HG22 1 1
12 2717 1 1 6 ILE HG23 H -3.583 0.994 5.095 1.00 . A A . 6 ILE HG23 1 1
12 2718 1 1 6 ILE N N -4.305 1.301 2.362 1.00 . A A . 6 ILE N 1 1
12 2719 1 1 6 ILE O O -1.161 -0.292 2.395 1.00 . A A . 6 ILE O 1 1
12 2720 1 1 7 THR C C -2.654 -2.995 2.163 1.00 . A A . 7 THR C 1 1
12 2721 1 1 7 THR CA C -2.748 -2.282 3.513 1.00 . A A . 7 THR CA 1 1
12 2722 1 1 7 THR CB C -3.753 -2.925 4.472 1.00 . A A . 7 THR CB 1 1
12 2723 1 1 7 THR CG2 C -3.516 -4.427 4.646 1.00 . A A . 7 THR CG2 1 1
12 2724 1 1 7 THR H H -4.048 -0.660 3.654 1.00 . A A . 7 THR H 1 1
12 2725 1 1 7 THR HA H -1.754 -2.306 3.959 1.00 . A A . 7 THR HA 1 1
12 2726 1 1 7 THR HB H -4.775 -2.727 4.155 1.00 . A A . 7 THR HB 1 1
12 2727 1 1 7 THR HG1 H -3.857 -1.478 5.850 1.00 . A A . 7 THR HG1 1 1
12 2728 1 1 7 THR HG21 H -4.175 -4.811 5.425 1.00 . A A . 7 THR HG21 1 1
12 2729 1 1 7 THR HG22 H -3.727 -4.939 3.707 1.00 . A A . 7 THR HG22 1 1
12 2730 1 1 7 THR HG23 H -2.478 -4.601 4.929 1.00 . A A . 7 THR HG23 1 1
12 2731 1 1 7 THR N N -3.133 -0.893 3.328 1.00 . A A . 7 THR N 1 1
12 2732 1 1 7 THR O O -1.720 -3.760 1.924 1.00 . A A . 7 THR O 1 1
12 2733 1 1 7 THR OG1 O -3.423 -2.373 5.743 1.00 . A A . 7 THR OG1 1 1
12 2734 1 1 8 ABA C C -2.474 -2.794 -0.885 1.00 . A A . 8 AIB C 1 1
12 2735 1 1 8 ABA CA C -3.642 -3.280 -0.025 1.00 . A A . 8 AIB CA 1 1
12 2736 1 1 8 ABA H H -4.410 -2.127 1.530 1.00 . A A . 8 AIB H 1 1
12 2737 1 1 8 ABA N N -3.634 -2.719 1.315 1.00 . A A . 8 AIB N 1 1
12 2738 1 1 8 ABA O O -1.894 -3.566 -1.646 1.00 . A A . 8 AIB O 1 1
12 2739 1 1 9 LEU C C 0.215 -1.074 -1.004 1.00 . A A . 9 LEU C 1 1
12 2740 1 1 9 LEU CA C -1.183 -0.875 -1.595 1.00 . A A . 9 LEU CA 1 1
12 2741 1 1 9 LEU CB C -1.549 0.592 -1.828 1.00 . A A . 9 LEU CB 1 1
12 2742 1 1 9 LEU CD1 C -3.323 2.284 -2.418 1.00 . A A . 9 LEU CD1 1 1
12 2743 1 1 9 LEU CD2 C -2.670 0.486 -4.085 1.00 . A A . 9 LEU CD2 1 1
12 2744 1 1 9 LEU CG C -2.842 0.844 -2.607 1.00 . A A . 9 LEU CG 1 1
12 2745 1 1 9 LEU H H -2.567 -0.919 -0.039 1.00 . A A . 9 LEU H 1 1
12 2746 1 1 9 LEU HA H -1.223 -1.376 -2.562 1.00 . A A . 9 LEU HA 1 1
12 2747 1 1 9 LEU HB2 H -1.631 1.083 -0.859 1.00 . A A . 9 LEU HB2 1 1
12 2748 1 1 9 LEU HB3 H -0.728 1.070 -2.361 1.00 . A A . 9 LEU HB3 1 1
12 2749 1 1 9 LEU HD11 H -2.562 2.972 -2.783 1.00 . A A . 9 LEU HD11 1 1
12 2750 1 1 9 LEU HD12 H -4.247 2.434 -2.976 1.00 . A A . 9 LEU HD12 1 1
12 2751 1 1 9 LEU HD13 H -3.504 2.470 -1.360 1.00 . A A . 9 LEU HD13 1 1
12 2752 1 1 9 LEU HD21 H -1.802 1.009 -4.487 1.00 . A A . 9 LEU HD21 1 1
12 2753 1 1 9 LEU HD22 H -2.524 -0.589 -4.184 1.00 . A A . 9 LEU HD22 1 1
12 2754 1 1 9 LEU HD23 H -3.562 0.784 -4.636 1.00 . A A . 9 LEU HD23 1 1
12 2755 1 1 9 LEU HG H -3.616 0.190 -2.205 1.00 . A A . 9 LEU HG 1 1
12 2756 1 1 9 LEU N N -2.163 -1.515 -0.733 1.00 . A A . 9 LEU N 1 1
12 2757 1 1 9 LEU O O 1.214 -0.964 -1.714 1.00 . A A . 9 LEU O 1 1
12 2758 1 1 10 ABA C C 2.625 -2.074 0.267 1.00 . A A . 10 AIB C 1 1
12 2759 1 1 10 ABA CA C 1.492 -1.380 1.027 1.00 . A A . 10 AIB CA 1 1
12 2760 1 1 10 ABA H H -0.571 -1.581 0.829 1.00 . A A . 10 AIB H 1 1
12 2761 1 1 10 ABA N N 0.241 -1.363 0.288 1.00 . A A . 10 AIB N 1 1
12 2762 1 1 10 ABA O O 3.671 -1.477 0.022 1.00 . A A . 10 AIB O 1 1
12 2763 1 1 11 HYP C C 3.916 -3.908 -1.925 1.00 . A A . 11 HYP C 1 1
12 2764 1 1 11 HYP CA C 3.442 -4.247 -0.511 1.00 . A A . 11 HYP CA 1 1
12 2765 1 1 11 HYP CB C 2.860 -5.648 -0.399 1.00 . A A . 11 HYP CB 1 1
12 2766 1 1 11 HYP CD C 1.058 -4.001 -0.115 1.00 . A A . 11 HYP CD 1 1
12 2767 1 1 11 HYP CG C 1.350 -5.471 -0.373 1.00 . A A . 11 HYP CG 1 1
12 2768 1 1 11 HYP HA H 4.309 -4.117 0.136 1.00 . A A . 11 HYP HA 1 1
12 2769 1 1 11 HYP HB2 H 3.167 -6.265 -1.243 1.00 . A A . 11 HYP HB2 1 1
12 2770 1 1 11 HYP HB3 H 3.211 -6.145 0.505 1.00 . A A . 11 HYP HB3 1 1
12 2771 1 1 11 HYP HD1 H 1.289 -5.811 1.655 1.00 . A A . 11 HYP HD1 1 1
12 2772 1 1 11 HYP HD22 H 0.425 -3.581 -0.897 1.00 . A A . 11 HYP HD22 1 1
12 2773 1 1 11 HYP HD23 H 0.533 -3.862 0.829 1.00 . A A . 11 HYP HD23 1 1
12 2774 1 1 11 HYP HG H 0.880 -5.828 -1.289 1.00 . A A . 11 HYP HG 1 1
12 2775 1 1 11 HYP N N 2.370 -3.360 -0.094 1.00 . A A . 11 HYP N 1 1
12 2776 1 1 11 HYP O O 4.955 -4.393 -2.369 1.00 . A A . 11 HYP O 1 1
12 2777 1 1 11 HYP OD1 O 0.872 -6.201 0.834 1.00 . A A . 11 HYP OD1 1 1
12 2778 1 1 12 GLN C C 4.415 -1.476 -3.930 1.00 . A A . 12 GLN C 1 1
12 2779 1 1 12 GLN CA C 3.456 -2.668 -3.951 1.00 . A A . 12 GLN CA 1 1
12 2780 1 1 12 GLN CB C 2.189 -2.340 -4.743 1.00 . A A . 12 GLN CB 1 1
12 2781 1 1 12 GLN CD C 0.888 -4.415 -4.145 1.00 . A A . 12 GLN CD 1 1
12 2782 1 1 12 GLN CG C 1.532 -3.613 -5.278 1.00 . A A . 12 GLN CG 1 1
12 2783 1 1 12 GLN H H 2.288 -2.685 -2.226 1.00 . A A . 12 GLN H 1 1
12 2784 1 1 12 GLN HA H 3.948 -3.530 -4.403 1.00 . A A . 12 GLN HA 1 1
12 2785 1 1 12 GLN HB2 H 1.486 -1.804 -4.105 1.00 . A A . 12 GLN HB2 1 1
12 2786 1 1 12 GLN HB3 H 2.436 -1.678 -5.573 1.00 . A A . 12 GLN HB3 1 1
12 2787 1 1 12 GLN HE21 H -0.683 -3.139 -4.198 1.00 . A A . 12 GLN HE21 1 1
12 2788 1 1 12 GLN HE22 H -0.796 -4.403 -3.021 1.00 . A A . 12 GLN HE22 1 1
12 2789 1 1 12 GLN HG2 H 0.777 -3.354 -6.020 1.00 . A A . 12 GLN HG2 1 1
12 2790 1 1 12 GLN HG3 H 2.278 -4.227 -5.784 1.00 . A A . 12 GLN HG3 1 1
12 2791 1 1 12 GLN N N 3.131 -3.076 -2.595 1.00 . A A . 12 GLN N 1 1
12 2792 1 1 12 GLN NE2 N -0.295 -3.947 -3.756 1.00 . A A . 12 GLN NE2 1 1
12 2793 1 1 12 GLN O O 5.245 -1.327 -4.826 1.00 . A A . 12 GLN O 1 1
12 2794 1 1 12 GLN OE1 O 1.428 -5.394 -3.657 1.00 . A A . 12 GLN OE1 1 1
12 2795 1 1 13 ABA C C 6.363 0.646 -3.225 1.00 . A A . 13 AIB C 1 1
12 2796 1 1 13 ABA CA C 4.867 0.667 -2.905 1.00 . A A . 13 AIB CA 1 1
12 2797 1 1 13 ABA H H 3.753 -0.885 -2.073 1.00 . A A . 13 AIB H 1 1
12 2798 1 1 13 ABA N N 4.268 -0.657 -2.899 1.00 . A A . 13 AIB N 1 1
12 2799 1 1 13 ABA O O 6.824 1.374 -4.103 1.00 . A A . 13 AIB O 1 1
12 2800 1 1 14 HYP C C 9.124 -0.738 -3.771 1.00 . A A . 14 HYP C 1 1
12 2801 1 1 14 HYP CA C 8.550 -0.161 -2.475 1.00 . A A . 14 HYP CA 1 1
12 2802 1 1 14 HYP CB C 8.973 -0.938 -1.239 1.00 . A A . 14 HYP CB 1 1
12 2803 1 1 14 HYP CD C 6.568 -1.274 -1.618 1.00 . A A . 14 HYP CD 1 1
12 2804 1 1 14 HYP CG C 7.776 -1.793 -0.855 1.00 . A A . 14 HYP CG 1 1
12 2805 1 1 14 HYP HA H 8.882 0.876 -2.433 1.00 . A A . 14 HYP HA 1 1
12 2806 1 1 14 HYP HB2 H 9.845 -1.558 -1.448 1.00 . A A . 14 HYP HB2 1 1
12 2807 1 1 14 HYP HB3 H 9.248 -0.264 -0.429 1.00 . A A . 14 HYP HB3 1 1
12 2808 1 1 14 HYP HD1 H 8.232 -1.893 1.150 1.00 . A A . 14 HYP HD1 1 1
12 2809 1 1 14 HYP HD22 H 6.100 -2.066 -2.204 1.00 . A A . 14 HYP HD22 1 1
12 2810 1 1 14 HYP HD23 H 5.808 -0.888 -0.939 1.00 . A A . 14 HYP HD23 1 1
12 2811 1 1 14 HYP HG H 7.952 -2.853 -1.038 1.00 . A A . 14 HYP HG 1 1
12 2812 1 1 14 HYP N N 7.098 -0.220 -2.477 1.00 . A A . 14 HYP N 1 1
12 2813 1 1 14 HYP O O 10.273 -0.469 -4.119 1.00 . A A . 14 HYP O 1 1
12 2814 1 1 14 HYP OD1 O 7.508 -1.502 0.582 1.00 . A A . 14 HYP OD1 1 1
12 2815 1 1 15 ABA C C 9.719 -1.829 -6.469 1.00 . A A . 15 AIB C 1 1
12 2816 1 1 15 ABA CA C 8.802 -2.471 -5.426 1.00 . A A . 15 AIB CA 1 1
12 2817 1 1 15 ABA H H 7.305 -1.512 -4.341 1.00 . A A . 15 AIB H 1 1
12 2818 1 1 15 ABA N N 8.298 -1.521 -4.450 1.00 . A A . 15 AIB N 1 1
12 2819 1 1 15 ABA O O 10.844 -2.281 -6.674 1.00 . A A . 15 AIB O 1 1
12 2820 1 1 16 PRO C C 11.044 0.369 -8.271 1.00 . A A . 16 PRO C 1 1
12 2821 1 1 16 PRO CA C 9.695 -0.341 -8.413 1.00 . A A . 16 PRO CA 1 1
12 2822 1 1 16 PRO CB C 8.611 0.553 -8.991 1.00 . A A . 16 PRO CB 1 1
12 2823 1 1 16 PRO CD C 8.095 0.081 -6.635 1.00 . A A . 16 PRO CD 1 1
12 2824 1 1 16 PRO CG C 7.750 0.979 -7.812 1.00 . A A . 16 PRO CG 1 1
12 2825 1 1 16 PRO HA H 9.866 -1.139 -8.992 1.00 . A A . 16 PRO HA 1 1
12 2826 1 1 16 PRO HB2 H 9.044 1.420 -9.489 1.00 . A A . 16 PRO HB2 1 1
12 2827 1 1 16 PRO HB3 H 8.020 0.020 -9.735 1.00 . A A . 16 PRO HB3 1 1
12 2828 1 1 16 PRO HD2 H 8.398 0.666 -5.767 1.00 . A A . 16 PRO HD2 1 1
12 2829 1 1 16 PRO HD3 H 7.238 -0.520 -6.331 1.00 . A A . 16 PRO HD3 1 1
12 2830 1 1 16 PRO HG2 H 7.933 2.024 -7.563 1.00 . A A . 16 PRO HG2 1 1
12 2831 1 1 16 PRO HG3 H 6.692 0.891 -8.062 1.00 . A A . 16 PRO HG3 1 1
12 2832 1 1 16 PRO N N 9.188 -0.758 -7.116 1.00 . A A . 16 PRO N 1 1
12 2833 1 1 16 PRO O O 11.743 0.583 -9.260 1.00 . A A . 16 PRO O 1 1
12 2834 1 1 17 PHL C C 13.704 0.568 -6.283 1.00 . A A . 17 PHL C 1 1
12 2835 1 1 17 PHL CA C 12.572 1.479 -6.760 1.00 . A A . 17 PHL CA 1 1
12 2836 1 1 17 PHL CB C 12.229 2.471 -5.649 1.00 . A A . 17 PHL CB 1 1
12 2837 1 1 17 PHL CD1 C 11.031 4.262 -6.927 1.00 . A A . 17 PHL CD1 1 1
12 2838 1 1 17 PHL CD2 C 9.862 3.158 -5.206 1.00 . A A . 17 PHL CD2 1 1
12 2839 1 1 17 PHL CE1 C 9.886 5.057 -7.196 1.00 . A A . 17 PHL CE1 1 1
12 2840 1 1 17 PHL CE2 C 8.717 3.953 -5.475 1.00 . A A . 17 PHL CE2 1 1
12 2841 1 1 17 PHL CG C 10.996 3.329 -5.938 1.00 . A A . 17 PHL CG 1 1
12 2842 1 1 17 PHL CZ C 8.753 4.886 -6.463 1.00 . A A . 17 PHL CZ 1 1
12 2843 1 1 17 PHL H2 H 10.824 0.480 -6.228 1.00 . A A . 17 PHL H2 1 1
12 2844 1 1 17 PHL HA H 12.866 1.963 -7.693 1.00 . A A . 17 PHL HA 1 1
12 2845 1 1 17 PHL HB2 H 12.068 1.922 -4.721 1.00 . A A . 17 PHL HB2 1 1
12 2846 1 1 17 PHL HB3 H 13.084 3.128 -5.485 1.00 . A A . 17 PHL HB3 1 1
12 2847 1 1 17 PHL HC1 H 13.931 -0.157 -7.067 1.00 . A A . 17 PHL HC1 1 1
12 2848 1 1 17 PHL HC2 H 13.386 0.051 -5.378 1.00 . A A . 17 PHL HC2 1 1
12 2849 1 1 17 PHL HD1 H 11.940 4.398 -7.514 1.00 . A A . 17 PHL HD1 1 1
12 2850 1 1 17 PHL HD2 H 9.833 2.411 -4.413 1.00 . A A . 17 PHL HD2 1 1
12 2851 1 1 17 PHL HE1 H 9.916 5.805 -7.989 1.00 . A A . 17 PHL HE1 1 1
12 2852 1 1 17 PHL HE2 H 7.808 3.817 -4.888 1.00 . A A . 17 PHL HE2 1 1
12 2853 1 1 17 PHL HO H 15.301 1.641 -6.837 1.00 . A A . 17 PHL HO 1 1
12 2854 1 1 17 PHL HZ H 7.873 5.496 -6.670 1.00 . A A . 17 PHL HZ 1 1
12 2855 1 1 17 PHL N N 11.368 0.714 -7.034 1.00 . A A . 17 PHL N 1 1
12 2856 1 1 17 PHL O O 14.892 1.300 -5.991 1.00 . A A . 17 PHL O 1 1
13 2857 1 1 1 ACE C C -9.695 2.693 4.092 1.00 . A A . 1 ACE C 1 1
13 2858 1 1 1 ACE CH3 C -11.056 2.215 4.471 1.00 . A A . 1 ACE CH3 1 1
13 2859 1 1 1 ACE H1 H -11.049 1.885 5.509 1.00 . A A . 1 ACE H1 1 1
13 2860 1 1 1 ACE H2 H -11.772 3.027 4.351 1.00 . A A . 1 ACE H2 1 1
13 2861 1 1 1 ACE H3 H -11.340 1.382 3.827 1.00 . A A . 1 ACE H3 1 1
13 2862 1 1 1 ACE O O -9.096 2.184 3.146 1.00 . A A . 1 ACE O 1 1
13 2863 1 1 2 TRP C C -6.856 3.178 4.900 1.00 . A A . 2 TRP C 1 1
13 2864 1 1 2 TRP CA C -7.907 4.245 4.584 1.00 . A A . 2 TRP CA 1 1
13 2865 1 1 2 TRP CB C -7.705 5.537 5.377 1.00 . A A . 2 TRP CB 1 1
13 2866 1 1 2 TRP CD1 C -5.578 6.182 6.689 1.00 . A A . 2 TRP CD1 1 1
13 2867 1 1 2 TRP CD2 C -5.271 6.133 4.496 1.00 . A A . 2 TRP CD2 1 1
13 2868 1 1 2 TRP CE2 C -4.069 6.487 5.073 1.00 . A A . 2 TRP CE2 1 1
13 2869 1 1 2 TRP CE3 C -5.406 6.012 3.102 1.00 . A A . 2 TRP CE3 1 1
13 2870 1 1 2 TRP CG C -6.238 5.938 5.549 1.00 . A A . 2 TRP CG 1 1
13 2871 1 1 2 TRP CH2 C -3.022 6.638 2.941 1.00 . A A . 2 TRP CH2 1 1
13 2872 1 1 2 TRP CZ2 C -2.911 6.751 4.332 1.00 . A A . 2 TRP CZ2 1 1
13 2873 1 1 2 TRP CZ3 C -4.240 6.279 2.375 1.00 . A A . 2 TRP CZ3 1 1
13 2874 1 1 2 TRP H H -9.710 4.079 5.614 1.00 . A A . 2 TRP H 1 1
13 2875 1 1 2 TRP HA H -7.861 4.510 3.527 1.00 . A A . 2 TRP HA 1 1
13 2876 1 1 2 TRP HB2 H -8.235 6.346 4.876 1.00 . A A . 2 TRP HB2 1 1
13 2877 1 1 2 TRP HB3 H -8.157 5.421 6.362 1.00 . A A . 2 TRP HB3 1 1
13 2878 1 1 2 TRP HD1 H -6.025 6.123 7.682 1.00 . A A . 2 TRP HD1 1 1
13 2879 1 1 2 TRP HE1 H -3.511 6.764 7.201 1.00 . A A . 2 TRP HE1 1 1
13 2880 1 1 2 TRP HE3 H -6.345 5.733 2.622 1.00 . A A . 2 TRP HE3 1 1
13 2881 1 1 2 TRP HH2 H -2.158 6.830 2.305 1.00 . A A . 2 TRP HH2 1 1
13 2882 1 1 2 TRP HZ2 H -1.972 7.030 4.812 1.00 . A A . 2 TRP HZ2 1 1
13 2883 1 1 2 TRP HZ3 H -4.290 6.200 1.290 1.00 . A A . 2 TRP HZ3 1 1
13 2884 1 1 2 TRP N N -9.218 3.674 4.842 1.00 . A A . 2 TRP N 1 1
13 2885 1 1 2 TRP NE1 N -4.262 6.519 6.450 1.00 . A A . 2 TRP NE1 1 1
13 2886 1 1 2 TRP O O -5.836 3.085 4.219 1.00 . A A . 2 TRP O 1 1
13 2887 1 1 3 ILE C C -6.214 0.235 5.321 1.00 . A A . 3 ILE C 1 1
13 2888 1 1 3 ILE CA C -6.226 1.357 6.362 1.00 . A A . 3 ILE CA 1 1
13 2889 1 1 3 ILE CB C -6.576 0.882 7.773 1.00 . A A . 3 ILE CB 1 1
13 2890 1 1 3 ILE CD1 C -4.455 1.842 8.745 1.00 . A A . 3 ILE CD1 1 1
13 2891 1 1 3 ILE CG1 C -5.983 1.818 8.829 1.00 . A A . 3 ILE CG1 1 1
13 2892 1 1 3 ILE CG2 C -6.144 -0.570 7.986 1.00 . A A . 3 ILE CG2 1 1
13 2893 1 1 3 ILE H H -7.981 2.473 6.472 1.00 . A A . 3 ILE H 1 1
13 2894 1 1 3 ILE HA H -5.230 1.796 6.407 1.00 . A A . 3 ILE HA 1 1
13 2895 1 1 3 ILE HB H -7.659 0.915 7.886 1.00 . A A . 3 ILE HB 1 1
13 2896 1 1 3 ILE HD11 H -4.143 2.603 8.031 1.00 . A A . 3 ILE HD11 1 1
13 2897 1 1 3 ILE HD12 H -4.041 2.072 9.727 1.00 . A A . 3 ILE HD12 1 1
13 2898 1 1 3 ILE HD13 H -4.094 0.867 8.418 1.00 . A A . 3 ILE HD13 1 1
13 2899 1 1 3 ILE HG12 H -6.374 2.825 8.687 1.00 . A A . 3 ILE HG12 1 1
13 2900 1 1 3 ILE HG13 H -6.291 1.492 9.822 1.00 . A A . 3 ILE HG13 1 1
13 2901 1 1 3 ILE HG21 H -6.855 -1.236 7.498 1.00 . A A . 3 ILE HG21 1 1
13 2902 1 1 3 ILE HG22 H -5.153 -0.720 7.559 1.00 . A A . 3 ILE HG22 1 1
13 2903 1 1 3 ILE HG23 H -6.116 -0.787 9.054 1.00 . A A . 3 ILE HG23 1 1
13 2904 1 1 3 ILE N N -7.143 2.399 5.933 1.00 . A A . 3 ILE N 1 1
13 2905 1 1 3 ILE O O -5.181 -0.392 5.090 1.00 . A A . 3 ILE O 1 1
13 2906 1 1 4 GLN C C -6.746 -0.595 2.434 1.00 . A A . 4 GLN C 1 1
13 2907 1 1 4 GLN CA C -7.506 -1.006 3.696 1.00 . A A . 4 GLN CA 1 1
13 2908 1 1 4 GLN CB C -8.978 -1.283 3.384 1.00 . A A . 4 GLN CB 1 1
13 2909 1 1 4 GLN CD C -11.097 -2.343 4.250 1.00 . A A . 4 GLN CD 1 1
13 2910 1 1 4 GLN CG C -9.574 -2.275 4.385 1.00 . A A . 4 GLN CG 1 1
13 2911 1 1 4 GLN H H -8.213 0.523 4.921 1.00 . A A . 4 GLN H 1 1
13 2912 1 1 4 GLN HA H -7.058 -1.903 4.123 1.00 . A A . 4 GLN HA 1 1
13 2913 1 1 4 GLN HB2 H -9.542 -0.350 3.413 1.00 . A A . 4 GLN HB2 1 1
13 2914 1 1 4 GLN HB3 H -9.072 -1.681 2.373 1.00 . A A . 4 GLN HB3 1 1
13 2915 1 1 4 GLN HE21 H -10.855 -3.625 2.701 1.00 . A A . 4 GLN HE21 1 1
13 2916 1 1 4 GLN HE22 H -12.498 -3.248 3.101 1.00 . A A . 4 GLN HE22 1 1
13 2917 1 1 4 GLN HG2 H -9.147 -3.264 4.220 1.00 . A A . 4 GLN HG2 1 1
13 2918 1 1 4 GLN HG3 H -9.309 -1.978 5.400 1.00 . A A . 4 GLN HG3 1 1
13 2919 1 1 4 GLN N N -7.375 0.016 4.720 1.00 . A A . 4 GLN N 1 1
13 2920 1 1 4 GLN NE2 N -11.518 -3.138 3.269 1.00 . A A . 4 GLN NE2 1 1
13 2921 1 1 4 GLN O O -6.008 -1.395 1.861 1.00 . A A . 4 GLN O 1 1
13 2922 1 1 4 GLN OE1 O -11.840 -1.716 4.986 1.00 . A A . 4 GLN OE1 1 1
13 2923 1 1 5 . C C -4.640 1.033 1.201 1.00 . A A . 5 DIV C 1 1
13 2924 1 1 5 . CA C -6.139 1.248 0.990 1.00 . A A . 5 DIV CA 1 1
13 2925 1 1 5 . CB1 C -6.518 0.645 -0.364 1.00 . A A . 5 DIV CB1 1 1
13 2926 1 1 5 . CB2 C -6.405 2.753 0.987 1.00 . A A . 5 DIV CB2 1 1
13 2927 1 1 5 . CG1 C -7.974 0.912 -0.750 1.00 . A A . 5 DIV CG1 1 1
13 2928 1 1 5 . H H -7.657 1.251 2.418 1.00 . A A . 5 DIV H 1 1
13 2929 1 1 5 . HB11 H -6.375 -0.435 -0.332 1.00 . A A . 5 DIV HB11 1 1
13 2930 1 1 5 . HB12 H -5.886 1.072 -1.141 1.00 . A A . 5 DIV HB12 1 1
13 2931 1 1 5 . HB21 H -5.950 3.204 1.869 1.00 . A A . 5 DIV HB21 1 1
13 2932 1 1 5 . HB22 H -5.971 3.196 0.089 1.00 . A A . 5 DIV HB22 1 1
13 2933 1 1 5 . HB23 H -7.480 2.934 0.999 1.00 . A A . 5 DIV HB23 1 1
13 2934 1 1 5 . HG11 H -8.099 1.967 -0.992 1.00 . A A . 5 DIV HG11 1 1
13 2935 1 1 5 . HG12 H -8.237 0.307 -1.618 1.00 . A A . 5 DIV HG12 1 1
13 2936 1 1 5 . HG13 H -8.626 0.652 0.084 1.00 . A A . 5 DIV HG13 1 1
13 2937 1 1 5 . N N -6.952 0.652 2.037 1.00 . A A . 5 DIV N 1 1
13 2938 1 1 5 . O O -3.935 0.610 0.287 1.00 . A A . 5 DIV O 1 1
13 2939 1 1 6 ILE C C -2.232 -0.047 2.811 1.00 . A A . 6 ILE C 1 1
13 2940 1 1 6 ILE CA C -2.774 1.380 2.699 1.00 . A A . 6 ILE CA 1 1
13 2941 1 1 6 ILE CB C -2.503 2.239 3.937 1.00 . A A . 6 ILE CB 1 1
13 2942 1 1 6 ILE CD1 C -1.020 4.005 4.957 1.00 . A A . 6 ILE CD1 1 1
13 2943 1 1 6 ILE CG1 C -1.307 3.165 3.710 1.00 . A A . 6 ILE CG1 1 1
13 2944 1 1 6 ILE CG2 C -2.326 1.367 5.181 1.00 . A A . 6 ILE CG2 1 1
13 2945 1 1 6 ILE H H -4.791 1.542 3.190 1.00 . A A . 6 ILE H 1 1
13 2946 1 1 6 ILE HA H -2.287 1.869 1.856 1.00 . A A . 6 ILE HA 1 1
13 2947 1 1 6 ILE HB H -3.374 2.872 4.109 1.00 . A A . 6 ILE HB 1 1
13 2948 1 1 6 ILE HD11 H -0.382 4.847 4.689 1.00 . A A . 6 ILE HD11 1 1
13 2949 1 1 6 ILE HD12 H -1.959 4.377 5.368 1.00 . A A . 6 ILE HD12 1 1
13 2950 1 1 6 ILE HD13 H -0.516 3.389 5.701 1.00 . A A . 6 ILE HD13 1 1
13 2951 1 1 6 ILE HG12 H -0.428 2.574 3.456 1.00 . A A . 6 ILE HG12 1 1
13 2952 1 1 6 ILE HG13 H -1.506 3.822 2.863 1.00 . A A . 6 ILE HG13 1 1
13 2953 1 1 6 ILE HG21 H -1.376 0.837 5.121 1.00 . A A . 6 ILE HG21 1 1
13 2954 1 1 6 ILE HG22 H -2.334 1.997 6.070 1.00 . A A . 6 ILE HG22 1 1
13 2955 1 1 6 ILE HG23 H -3.142 0.646 5.239 1.00 . A A . 6 ILE HG23 1 1
13 2956 1 1 6 ILE N N -4.197 1.333 2.413 1.00 . A A . 6 ILE N 1 1
13 2957 1 1 6 ILE O O -1.073 -0.302 2.489 1.00 . A A . 6 ILE O 1 1
13 2958 1 1 7 THR C C -2.568 -2.954 1.980 1.00 . A A . 7 THR C 1 1
13 2959 1 1 7 THR CA C -2.741 -2.344 3.372 1.00 . A A . 7 THR CA 1 1
13 2960 1 1 7 THR CB C -3.811 -3.043 4.213 1.00 . A A . 7 THR CB 1 1
13 2961 1 1 7 THR CG2 C -3.573 -4.551 4.328 1.00 . A A . 7 THR CG2 1 1
13 2962 1 1 7 THR H H -4.028 -0.717 3.564 1.00 . A A . 7 THR H 1 1
13 2963 1 1 7 THR HA H -1.777 -2.417 3.875 1.00 . A A . 7 THR HA 1 1
13 2964 1 1 7 THR HB H -4.808 -2.835 3.826 1.00 . A A . 7 THR HB 1 1
13 2965 1 1 7 THR HG1 H -3.979 -1.640 5.630 1.00 . A A . 7 THR HG1 1 1
13 2966 1 1 7 THR HG21 H -3.697 -5.013 3.349 1.00 . A A . 7 THR HG21 1 1
13 2967 1 1 7 THR HG22 H -2.561 -4.732 4.689 1.00 . A A . 7 THR HG22 1 1
13 2968 1 1 7 THR HG23 H -4.291 -4.979 5.026 1.00 . A A . 7 THR HG23 1 1
13 2969 1 1 7 THR N N -3.099 -0.940 3.268 1.00 . A A . 7 THR N 1 1
13 2970 1 1 7 THR O O -1.621 -3.703 1.739 1.00 . A A . 7 THR O 1 1
13 2971 1 1 7 THR OG1 O -3.588 -2.555 5.534 1.00 . A A . 7 THR OG1 1 1
13 2972 1 1 8 ABA C C -2.226 -2.531 -1.039 1.00 . A A . 8 AIB C 1 1
13 2973 1 1 8 ABA CA C -3.432 -3.080 -0.275 1.00 . A A . 8 AIB CA 1 1
13 2974 1 1 8 ABA H H -4.279 -2.028 1.310 1.00 . A A . 8 AIB H 1 1
13 2975 1 1 8 ABA N N -3.496 -2.612 1.099 1.00 . A A . 8 AIB N 1 1
13 2976 1 1 8 ABA O O -1.632 -3.230 -1.858 1.00 . A A . 8 AIB O 1 1
13 2977 1 1 9 LEU C C 0.502 -0.890 -0.842 1.00 . A A . 9 LEU C 1 1
13 2978 1 1 9 LEU CA C -0.857 -0.585 -1.478 1.00 . A A . 9 LEU CA 1 1
13 2979 1 1 9 LEU CB C -1.171 0.909 -1.571 1.00 . A A . 9 LEU CB 1 1
13 2980 1 1 9 LEU CD1 C -2.852 2.711 -2.103 1.00 . A A . 9 LEU CD1 1 1
13 2981 1 1 9 LEU CD2 C -2.108 1.088 -3.905 1.00 . A A . 9 LEU CD2 1 1
13 2982 1 1 9 LEU CG C -2.390 1.287 -2.414 1.00 . A A . 9 LEU CG 1 1
13 2983 1 1 9 LEU H H -2.331 -0.747 -0.016 1.00 . A A . 9 LEU H 1 1
13 2984 1 1 9 LEU HA H -0.857 -0.978 -2.495 1.00 . A A . 9 LEU HA 1 1
13 2985 1 1 9 LEU HB2 H -1.321 1.291 -0.561 1.00 . A A . 9 LEU HB2 1 1
13 2986 1 1 9 LEU HB3 H -0.299 1.419 -1.979 1.00 . A A . 9 LEU HB3 1 1
13 2987 1 1 9 LEU HD11 H -2.049 3.412 -2.332 1.00 . A A . 9 LEU HD11 1 1
13 2988 1 1 9 LEU HD12 H -3.726 2.951 -2.709 1.00 . A A . 9 LEU HD12 1 1
13 2989 1 1 9 LEU HD13 H -3.111 2.787 -1.048 1.00 . A A . 9 LEU HD13 1 1
13 2990 1 1 9 LEU HD21 H -1.985 0.026 -4.114 1.00 . A A . 9 LEU HD21 1 1
13 2991 1 1 9 LEU HD22 H -2.942 1.479 -4.489 1.00 . A A . 9 LEU HD22 1 1
13 2992 1 1 9 LEU HD23 H -1.195 1.619 -4.176 1.00 . A A . 9 LEU HD23 1 1
13 2993 1 1 9 LEU HG H -3.210 0.618 -2.151 1.00 . A A . 9 LEU HG 1 1
13 2994 1 1 9 LEU N N -1.898 -1.281 -0.742 1.00 . A A . 9 LEU N 1 1
13 2995 1 1 9 LEU O O 1.537 -0.772 -1.495 1.00 . A A . 9 LEU O 1 1
13 2996 1 1 10 ABA C C 2.804 -2.081 0.504 1.00 . A A . 10 AIB C 1 1
13 2997 1 1 10 ABA CA C 1.661 -1.366 1.226 1.00 . A A . 10 AIB CA 1 1
13 2998 1 1 10 ABA H H -0.391 -1.523 0.901 1.00 . A A . 10 AIB H 1 1
13 2999 1 1 10 ABA N N 0.452 -1.275 0.424 1.00 . A A . 10 AIB N 1 1
13 3000 1 1 10 ABA O O 3.900 -1.538 0.378 1.00 . A A . 10 AIB O 1 1
13 3001 1 1 11 HYP C C 3.974 -3.742 -1.885 1.00 . A A . 11 HYP C 1 1
13 3002 1 1 11 HYP CA C 3.536 -4.195 -0.491 1.00 . A A . 11 HYP CA 1 1
13 3003 1 1 11 HYP CB C 2.919 -5.584 -0.485 1.00 . A A . 11 HYP CB 1 1
13 3004 1 1 11 HYP CD C 1.174 -3.927 0.006 1.00 . A A . 11 HYP CD 1 1
13 3005 1 1 11 HYP CG C 1.417 -5.373 -0.392 1.00 . A A . 11 HYP CG 1 1
13 3006 1 1 11 HYP HA H 4.426 -4.146 0.135 1.00 . A A . 11 HYP HA 1 1
13 3007 1 1 11 HYP HB2 H 3.181 -6.133 -1.391 1.00 . A A . 11 HYP HB2 1 1
13 3008 1 1 11 HYP HB3 H 3.285 -6.171 0.357 1.00 . A A . 11 HYP HB3 1 1
13 3009 1 1 11 HYP HD1 H 0.999 -7.169 0.525 1.00 . A A . 11 HYP HD1 1 1
13 3010 1 1 11 HYP HD22 H 0.527 -3.423 -0.713 1.00 . A A . 11 HYP HD22 1 1
13 3011 1 1 11 HYP HD23 H 0.684 -3.860 0.977 1.00 . A A . 11 HYP HD23 1 1
13 3012 1 1 11 HYP HG H 0.906 -5.634 -1.319 1.00 . A A . 11 HYP HG 1 1
13 3013 1 1 11 HYP N N 2.502 -3.324 0.039 1.00 . A A . 11 HYP N 1 1
13 3014 1 1 11 HYP O O 5.016 -4.168 -2.382 1.00 . A A . 11 HYP O 1 1
13 3015 1 1 11 HYP OD1 O 0.957 -6.198 0.761 1.00 . A A . 11 HYP OD1 1 1
13 3016 1 1 12 GLN C C 4.338 -1.261 -3.881 1.00 . A A . 12 GLN C 1 1
13 3017 1 1 12 GLN CA C 3.385 -2.457 -3.848 1.00 . A A . 12 GLN CA 1 1
13 3018 1 1 12 GLN CB C 2.063 -2.124 -4.544 1.00 . A A . 12 GLN CB 1 1
13 3019 1 1 12 GLN CD C -0.129 -3.045 -5.383 1.00 . A A . 12 GLN CD 1 1
13 3020 1 1 12 GLN CG C 1.145 -3.347 -4.591 1.00 . A A . 12 GLN CG 1 1
13 3021 1 1 12 GLN H H 2.356 -2.480 -2.037 1.00 . A A . 12 GLN H 1 1
13 3022 1 1 12 GLN HA H 3.844 -3.311 -4.343 1.00 . A A . 12 GLN HA 1 1
13 3023 1 1 12 GLN HB2 H 1.565 -1.311 -4.016 1.00 . A A . 12 GLN HB2 1 1
13 3024 1 1 12 GLN HB3 H 2.260 -1.773 -5.557 1.00 . A A . 12 GLN HB3 1 1
13 3025 1 1 12 GLN HE21 H -1.186 -3.247 -3.669 1.00 . A A . 12 GLN HE21 1 1
13 3026 1 1 12 GLN HE22 H -2.122 -2.869 -5.076 1.00 . A A . 12 GLN HE22 1 1
13 3027 1 1 12 GLN HG2 H 1.673 -4.184 -5.048 1.00 . A A . 12 GLN HG2 1 1
13 3028 1 1 12 GLN HG3 H 0.885 -3.650 -3.577 1.00 . A A . 12 GLN HG3 1 1
13 3029 1 1 12 GLN N N 3.157 -2.882 -2.476 1.00 . A A . 12 GLN N 1 1
13 3030 1 1 12 GLN NE2 N -1.237 -3.054 -4.649 1.00 . A A . 12 GLN NE2 1 1
13 3031 1 1 12 GLN O O 5.117 -1.110 -4.821 1.00 . A A . 12 GLN O 1 1
13 3032 1 1 12 GLN OE1 O -0.107 -2.820 -6.582 1.00 . A A . 12 GLN OE1 1 1
13 3033 1 1 13 ABA C C 6.383 0.773 -3.230 1.00 . A A . 13 AIB C 1 1
13 3034 1 1 13 ABA CA C 4.902 0.855 -2.854 1.00 . A A . 13 AIB CA 1 1
13 3035 1 1 13 ABA H H 3.737 -0.652 -2.009 1.00 . A A . 13 AIB H 1 1
13 3036 1 1 13 ABA N N 4.247 -0.442 -2.843 1.00 . A A . 13 AIB N 1 1
13 3037 1 1 13 ABA O O 6.832 1.455 -4.150 1.00 . A A . 13 AIB O 1 1
13 3038 1 1 14 HYP C C 9.033 -0.780 -3.861 1.00 . A A . 14 HYP C 1 1
13 3039 1 1 14 HYP CA C 8.569 -0.107 -2.567 1.00 . A A . 14 HYP CA 1 1
13 3040 1 1 14 HYP CB C 9.029 -0.840 -1.317 1.00 . A A . 14 HYP CB 1 1
13 3041 1 1 14 HYP CD C 6.592 -1.068 -1.534 1.00 . A A . 14 HYP CD 1 1
13 3042 1 1 14 HYP CG C 7.818 -1.609 -0.816 1.00 . A A . 14 HYP CG 1 1
13 3043 1 1 14 HYP HA H 8.954 0.912 -2.604 1.00 . A A . 14 HYP HA 1 1
13 3044 1 1 14 HYP HB2 H 9.855 -1.515 -1.543 1.00 . A A . 14 HYP HB2 1 1
13 3045 1 1 14 HYP HB3 H 9.387 -0.139 -0.563 1.00 . A A . 14 HYP HB3 1 1
13 3046 1 1 14 HYP HD1 H 7.513 -0.242 0.693 1.00 . A A . 14 HYP HD1 1 1
13 3047 1 1 14 HYP HD22 H 6.051 -1.864 -2.046 1.00 . A A . 14 HYP HD22 1 1
13 3048 1 1 14 HYP HD23 H 5.896 -0.607 -0.834 1.00 . A A . 14 HYP HD23 1 1
13 3049 1 1 14 HYP HG H 7.930 -2.685 -0.950 1.00 . A A . 14 HYP HG 1 1
13 3050 1 1 14 HYP N N 7.119 -0.089 -2.480 1.00 . A A . 14 HYP N 1 1
13 3051 1 1 14 HYP O O 10.148 -0.543 -4.323 1.00 . A A . 14 HYP O 1 1
13 3052 1 1 14 HYP OD1 O 7.655 -1.229 0.615 1.00 . A A . 14 HYP OD1 1 1
13 3053 1 1 15 ABA C C 9.448 -2.101 -6.474 1.00 . A A . 15 AIB C 1 1
13 3054 1 1 15 ABA CA C 8.577 -2.640 -5.339 1.00 . A A . 15 AIB CA 1 1
13 3055 1 1 15 ABA H H 7.171 -1.579 -4.225 1.00 . A A . 15 AIB H 1 1
13 3056 1 1 15 ABA N N 8.154 -1.607 -4.408 1.00 . A A . 15 AIB N 1 1
13 3057 1 1 15 ABA O O 10.542 -2.607 -6.718 1.00 . A A . 15 AIB O 1 1
13 3058 1 1 16 PRO C C 10.789 0.122 -8.237 1.00 . A A . 16 PRO C 1 1
13 3059 1 1 16 PRO CA C 9.470 -0.631 -8.433 1.00 . A A . 16 PRO CA 1 1
13 3060 1 1 16 PRO CB C 8.388 0.224 -9.071 1.00 . A A . 16 PRO CB 1 1
13 3061 1 1 16 PRO CD C 7.777 -0.242 -6.736 1.00 . A A . 16 PRO CD 1 1
13 3062 1 1 16 PRO CG C 7.459 0.633 -7.938 1.00 . A A . 16 PRO CG 1 1
13 3063 1 1 16 PRO HA H 9.692 -1.428 -8.995 1.00 . A A . 16 PRO HA 1 1
13 3064 1 1 16 PRO HB2 H 8.817 1.099 -9.558 1.00 . A A . 16 PRO HB2 1 1
13 3065 1 1 16 PRO HB3 H 7.848 -0.335 -9.835 1.00 . A A . 16 PRO HB3 1 1
13 3066 1 1 16 PRO HD2 H 8.021 0.360 -5.861 1.00 . A A . 16 PRO HD2 1 1
13 3067 1 1 16 PRO HD3 H 6.925 -0.868 -6.466 1.00 . A A . 16 PRO HD3 1 1
13 3068 1 1 16 PRO HG2 H 7.599 1.685 -7.691 1.00 . A A . 16 PRO HG2 1 1
13 3069 1 1 16 PRO HG3 H 6.418 0.510 -8.235 1.00 . A A . 16 PRO HG3 1 1
13 3070 1 1 16 PRO N N 8.916 -1.052 -7.158 1.00 . A A . 16 PRO N 1 1
13 3071 1 1 16 PRO O O 11.556 0.293 -9.182 1.00 . A A . 16 PRO O 1 1
13 3072 1 1 17 PHL C C 13.259 0.398 -6.019 1.00 . A A . 17 PHL C 1 1
13 3073 1 1 17 PHL CA C 12.211 1.299 -6.675 1.00 . A A . 17 PHL CA 1 1
13 3074 1 1 17 PHL CB C 11.800 2.388 -5.682 1.00 . A A . 17 PHL CB 1 1
13 3075 1 1 17 PHL CD1 C 9.426 3.172 -5.534 1.00 . A A . 17 PHL CD1 1 1
13 3076 1 1 17 PHL CD2 C 10.801 4.109 -7.202 1.00 . A A . 17 PHL CD2 1 1
13 3077 1 1 17 PHL CE1 C 8.342 3.976 -5.974 1.00 . A A . 17 PHL CE1 1 1
13 3078 1 1 17 PHL CE2 C 9.716 4.914 -7.643 1.00 . A A . 17 PHL CE2 1 1
13 3079 1 1 17 PHL CG C 10.633 3.256 -6.157 1.00 . A A . 17 PHL CG 1 1
13 3080 1 1 17 PHL CZ C 8.510 4.830 -7.020 1.00 . A A . 17 PHL CZ 1 1
13 3081 1 1 17 PHL H2 H 10.388 0.392 -6.236 1.00 . A A . 17 PHL H2 1 1
13 3082 1 1 17 PHL HA H 12.608 1.697 -7.608 1.00 . A A . 17 PHL HA 1 1
13 3083 1 1 17 PHL HB2 H 11.530 1.921 -4.735 1.00 . A A . 17 PHL HB2 1 1
13 3084 1 1 17 PHL HB3 H 12.659 3.030 -5.487 1.00 . A A . 17 PHL HB3 1 1
13 3085 1 1 17 PHL HC1 H 14.157 0.983 -5.823 1.00 . A A . 17 PHL HC1 1 1
13 3086 1 1 17 PHL HC2 H 13.490 -0.426 -6.695 1.00 . A A . 17 PHL HC2 1 1
13 3087 1 1 17 PHL HD1 H 9.291 2.487 -4.697 1.00 . A A . 17 PHL HD1 1 1
13 3088 1 1 17 PHL HD2 H 11.767 4.177 -7.701 1.00 . A A . 17 PHL HD2 1 1
13 3089 1 1 17 PHL HE1 H 7.375 3.909 -5.476 1.00 . A A . 17 PHL HE1 1 1
13 3090 1 1 17 PHL HE2 H 9.851 5.599 -8.480 1.00 . A A . 17 PHL HE2 1 1
13 3091 1 1 17 PHL HO H 11.921 -0.608 -4.921 1.00 . A A . 17 PHL HO 1 1
13 3092 1 1 17 PHL HZ H 7.679 5.448 -7.358 1.00 . A A . 17 PHL HZ 1 1
13 3093 1 1 17 PHL N N 11.010 0.549 -7.002 1.00 . A A . 17 PHL N 1 1
13 3094 1 1 17 PHL O O 12.798 -0.147 -4.786 1.00 . A A . 17 PHL O 1 1
14 3095 1 1 1 ACE C C -9.721 2.794 3.974 1.00 . A A . 1 ACE C 1 1
14 3096 1 1 1 ACE CH3 C -11.122 2.372 4.253 1.00 . A A . 1 ACE CH3 1 1
14 3097 1 1 1 ACE H1 H -11.543 1.899 3.365 1.00 . A A . 1 ACE H1 1 1
14 3098 1 1 1 ACE H2 H -11.130 1.661 5.080 1.00 . A A . 1 ACE H2 1 1
14 3099 1 1 1 ACE H3 H -11.718 3.244 4.518 1.00 . A A . 1 ACE H3 1 1
14 3100 1 1 1 ACE O O -9.073 2.254 3.078 1.00 . A A . 1 ACE O 1 1
14 3101 1 1 2 TRP C C -6.940 3.136 4.953 1.00 . A A . 2 TRP C 1 1
14 3102 1 1 2 TRP CA C -7.907 4.267 4.601 1.00 . A A . 2 TRP CA 1 1
14 3103 1 1 2 TRP CB C -7.693 5.523 5.448 1.00 . A A . 2 TRP CB 1 1
14 3104 1 1 2 TRP CD1 C -5.773 6.482 4.013 1.00 . A A . 2 TRP CD1 1 1
14 3105 1 1 2 TRP CD2 C -5.458 6.754 6.189 1.00 . A A . 2 TRP CD2 1 1
14 3106 1 1 2 TRP CE2 C -4.371 7.305 5.543 1.00 . A A . 2 TRP CE2 1 1
14 3107 1 1 2 TRP CE3 C -5.561 6.766 7.592 1.00 . A A . 2 TRP CE3 1 1
14 3108 1 1 2 TRP CG C -6.357 6.225 5.191 1.00 . A A . 2 TRP CG 1 1
14 3109 1 1 2 TRP CH2 C -3.384 7.932 7.615 1.00 . A A . 2 TRP CH2 1 1
14 3110 1 1 2 TRP CZ2 C -3.303 7.908 6.218 1.00 . A A . 2 TRP CZ2 1 1
14 3111 1 1 2 TRP CZ3 C -4.486 7.373 8.251 1.00 . A A . 2 TRP CZ3 1 1
14 3112 1 1 2 TRP H H -9.799 4.202 5.473 1.00 . A A . 2 TRP H 1 1
14 3113 1 1 2 TRP HA H -7.775 4.560 3.560 1.00 . A A . 2 TRP HA 1 1
14 3114 1 1 2 TRP HB2 H -8.504 6.224 5.252 1.00 . A A . 2 TRP HB2 1 1
14 3115 1 1 2 TRP HB3 H -7.752 5.253 6.502 1.00 . A A . 2 TRP HB3 1 1
14 3116 1 1 2 TRP HD1 H -6.196 6.209 3.046 1.00 . A A . 2 TRP HD1 1 1
14 3117 1 1 2 TRP HE1 H -3.894 7.456 3.383 1.00 . A A . 2 TRP HE1 1 1
14 3118 1 1 2 TRP HE3 H -6.409 6.338 8.125 1.00 . A A . 2 TRP HE3 1 1
14 3119 1 1 2 TRP HH2 H -2.586 8.387 8.202 1.00 . A A . 2 TRP HH2 1 1
14 3120 1 1 2 TRP HZ2 H -2.455 8.336 5.684 1.00 . A A . 2 TRP HZ2 1 1
14 3121 1 1 2 TRP HZ3 H -4.515 7.409 9.340 1.00 . A A . 2 TRP HZ3 1 1
14 3122 1 1 2 TRP N N -9.262 3.763 4.752 1.00 . A A . 2 TRP N 1 1
14 3123 1 1 2 TRP NE1 N -4.568 7.134 4.177 1.00 . A A . 2 TRP NE1 1 1
14 3124 1 1 2 TRP O O -5.904 2.978 4.311 1.00 . A A . 2 TRP O 1 1
14 3125 1 1 3 ILE C C -6.372 0.230 5.322 1.00 . A A . 3 ILE C 1 1
14 3126 1 1 3 ILE CA C -6.483 1.278 6.432 1.00 . A A . 3 ILE CA 1 1
14 3127 1 1 3 ILE CB C -7.014 0.718 7.754 1.00 . A A . 3 ILE CB 1 1
14 3128 1 1 3 ILE CD1 C -5.068 1.663 9.051 1.00 . A A . 3 ILE CD1 1 1
14 3129 1 1 3 ILE CG1 C -6.592 1.601 8.931 1.00 . A A . 3 ILE CG1 1 1
14 3130 1 1 3 ILE CG2 C -6.585 -0.737 7.946 1.00 . A A . 3 ILE CG2 1 1
14 3131 1 1 3 ILE H H -8.165 2.504 6.482 1.00 . A A . 3 ILE H 1 1
14 3132 1 1 3 ILE HA H -5.488 1.679 6.629 1.00 . A A . 3 ILE HA 1 1
14 3133 1 1 3 ILE HB H -8.103 0.731 7.716 1.00 . A A . 3 ILE HB 1 1
14 3134 1 1 3 ILE HD11 H -4.638 0.720 8.710 1.00 . A A . 3 ILE HD11 1 1
14 3135 1 1 3 ILE HD12 H -4.688 2.479 8.437 1.00 . A A . 3 ILE HD12 1 1
14 3136 1 1 3 ILE HD13 H -4.793 1.832 10.092 1.00 . A A . 3 ILE HD13 1 1
14 3137 1 1 3 ILE HG12 H -6.991 2.606 8.798 1.00 . A A . 3 ILE HG12 1 1
14 3138 1 1 3 ILE HG13 H -7.017 1.209 9.855 1.00 . A A . 3 ILE HG13 1 1
14 3139 1 1 3 ILE HG21 H -5.541 -0.851 7.652 1.00 . A A . 3 ILE HG21 1 1
14 3140 1 1 3 ILE HG22 H -6.699 -1.015 8.994 1.00 . A A . 3 ILE HG22 1 1
14 3141 1 1 3 ILE HG23 H -7.208 -1.384 7.329 1.00 . A A . 3 ILE HG23 1 1
14 3142 1 1 3 ILE N N -7.314 2.377 5.973 1.00 . A A . 3 ILE N 1 1
14 3143 1 1 3 ILE O O -5.333 -0.410 5.170 1.00 . A A . 3 ILE O 1 1
14 3144 1 1 4 GLN C C -6.698 -0.466 2.315 1.00 . A A . 4 GLN C 1 1
14 3145 1 1 4 GLN CA C -7.518 -0.914 3.526 1.00 . A A . 4 GLN CA 1 1
14 3146 1 1 4 GLN CB C -8.966 -1.206 3.130 1.00 . A A . 4 GLN CB 1 1
14 3147 1 1 4 GLN CD C -11.162 -2.141 3.945 1.00 . A A . 4 GLN CD 1 1
14 3148 1 1 4 GLN CG C -9.649 -2.100 4.167 1.00 . A A . 4 GLN CG 1 1
14 3149 1 1 4 GLN H H -8.283 0.644 4.679 1.00 . A A . 4 GLN H 1 1
14 3150 1 1 4 GLN HA H -7.078 -1.813 3.958 1.00 . A A . 4 GLN HA 1 1
14 3151 1 1 4 GLN HB2 H -9.517 -0.270 3.033 1.00 . A A . 4 GLN HB2 1 1
14 3152 1 1 4 GLN HB3 H -8.990 -1.691 2.154 1.00 . A A . 4 GLN HB3 1 1
14 3153 1 1 4 GLN HE21 H -11.344 -3.154 5.689 1.00 . A A . 4 GLN HE21 1 1
14 3154 1 1 4 GLN HE22 H -12.829 -2.843 4.855 1.00 . A A . 4 GLN HE22 1 1
14 3155 1 1 4 GLN HG2 H -9.242 -3.110 4.106 1.00 . A A . 4 GLN HG2 1 1
14 3156 1 1 4 GLN HG3 H -9.435 -1.731 5.169 1.00 . A A . 4 GLN HG3 1 1
14 3157 1 1 4 GLN N N -7.457 0.088 4.575 1.00 . A A . 4 GLN N 1 1
14 3158 1 1 4 GLN NE2 N -11.834 -2.764 4.910 1.00 . A A . 4 GLN NE2 1 1
14 3159 1 1 4 GLN O O -5.893 -1.232 1.788 1.00 . A A . 4 GLN O 1 1
14 3160 1 1 4 GLN OE1 O -11.686 -1.640 2.964 1.00 . A A . 4 GLN OE1 1 1
14 3161 1 1 5 . C C -4.576 1.250 1.266 1.00 . A A . 5 DIV C 1 1
14 3162 1 1 5 . CA C -6.061 1.420 0.941 1.00 . A A . 5 DIV CA 1 1
14 3163 1 1 5 . CB1 C -6.311 0.836 -0.451 1.00 . A A . 5 DIV CB1 1 1
14 3164 1 1 5 . CB2 C -6.378 2.916 0.948 1.00 . A A . 5 DIV CB2 1 1
14 3165 1 1 5 . CG1 C -7.793 0.581 -0.734 1.00 . A A . 5 DIV CG1 1 1
14 3166 1 1 5 . H H -7.697 1.331 2.228 1.00 . A A . 5 DIV H 1 1
14 3167 1 1 5 . HB11 H -5.786 -0.114 -0.543 1.00 . A A . 5 DIV HB11 1 1
14 3168 1 1 5 . HB12 H -5.943 1.529 -1.207 1.00 . A A . 5 DIV HB12 1 1
14 3169 1 1 5 . HB21 H -7.396 3.071 0.589 1.00 . A A . 5 DIV HB21 1 1
14 3170 1 1 5 . HB22 H -6.289 3.301 1.964 1.00 . A A . 5 DIV HB22 1 1
14 3171 1 1 5 . HB23 H -5.677 3.439 0.297 1.00 . A A . 5 DIV HB23 1 1
14 3172 1 1 5 . HG11 H -8.372 1.461 -0.455 1.00 . A A . 5 DIV HG11 1 1
14 3173 1 1 5 . HG12 H -7.930 0.377 -1.796 1.00 . A A . 5 DIV HG12 1 1
14 3174 1 1 5 . HG13 H -8.132 -0.276 -0.153 1.00 . A A . 5 DIV HG13 1 1
14 3175 1 1 5 . N N -6.932 0.773 1.908 1.00 . A A . 5 DIV N 1 1
14 3176 1 1 5 . O O -3.781 0.902 0.394 1.00 . A A . 5 DIV O 1 1
14 3177 1 1 6 ILE C C -2.447 -0.112 2.798 1.00 . A A . 6 ILE C 1 1
14 3178 1 1 6 ILE CA C -2.877 1.344 2.985 1.00 . A A . 6 ILE CA 1 1
14 3179 1 1 6 ILE CB C -2.734 1.848 4.422 1.00 . A A . 6 ILE CB 1 1
14 3180 1 1 6 ILE CD1 C -3.128 3.898 5.838 1.00 . A A . 6 ILE CD1 1 1
14 3181 1 1 6 ILE CG1 C -2.692 3.377 4.466 1.00 . A A . 6 ILE CG1 1 1
14 3182 1 1 6 ILE CG2 C -1.516 1.221 5.104 1.00 . A A . 6 ILE CG2 1 1
14 3183 1 1 6 ILE H H -4.893 1.814 3.220 1.00 . A A . 6 ILE H 1 1
14 3184 1 1 6 ILE HA H -2.245 1.974 2.359 1.00 . A A . 6 ILE HA 1 1
14 3185 1 1 6 ILE HB H -3.614 1.534 4.984 1.00 . A A . 6 ILE HB 1 1
14 3186 1 1 6 ILE HD11 H -2.880 4.956 5.919 1.00 . A A . 6 ILE HD11 1 1
14 3187 1 1 6 ILE HD12 H -4.204 3.766 5.951 1.00 . A A . 6 ILE HD12 1 1
14 3188 1 1 6 ILE HD13 H -2.610 3.342 6.620 1.00 . A A . 6 ILE HD13 1 1
14 3189 1 1 6 ILE HG12 H -1.682 3.722 4.247 1.00 . A A . 6 ILE HG12 1 1
14 3190 1 1 6 ILE HG13 H -3.344 3.785 3.694 1.00 . A A . 6 ILE HG13 1 1
14 3191 1 1 6 ILE HG21 H -1.316 1.742 6.041 1.00 . A A . 6 ILE HG21 1 1
14 3192 1 1 6 ILE HG22 H -1.717 0.169 5.310 1.00 . A A . 6 ILE HG22 1 1
14 3193 1 1 6 ILE HG23 H -0.650 1.304 4.449 1.00 . A A . 6 ILE HG23 1 1
14 3194 1 1 6 ILE N N -4.246 1.504 2.523 1.00 . A A . 6 ILE N 1 1
14 3195 1 1 6 ILE O O -1.476 -0.392 2.097 1.00 . A A . 6 ILE O 1 1
14 3196 1 1 7 THR C C -2.532 -2.962 2.123 1.00 . A A . 7 THR C 1 1
14 3197 1 1 7 THR CA C -2.787 -2.395 3.521 1.00 . A A . 7 THR CA 1 1
14 3198 1 1 7 THR CB C -3.865 -3.154 4.298 1.00 . A A . 7 THR CB 1 1
14 3199 1 1 7 THR CG2 C -3.459 -4.597 4.604 1.00 . A A . 7 THR CG2 1 1
14 3200 1 1 7 THR H H -4.057 -0.786 3.891 1.00 . A A . 7 THR H 1 1
14 3201 1 1 7 THR HA H -1.843 -2.446 4.065 1.00 . A A . 7 THR HA 1 1
14 3202 1 1 7 THR HB H -4.819 -3.122 3.774 1.00 . A A . 7 THR HB 1 1
14 3203 1 1 7 THR HG1 H -4.783 -2.120 5.744 1.00 . A A . 7 THR HG1 1 1
14 3204 1 1 7 THR HG21 H -2.959 -5.026 3.735 1.00 . A A . 7 THR HG21 1 1
14 3205 1 1 7 THR HG22 H -2.781 -4.612 5.457 1.00 . A A . 7 THR HG22 1 1
14 3206 1 1 7 THR HG23 H -4.348 -5.184 4.836 1.00 . A A . 7 THR HG23 1 1
14 3207 1 1 7 THR N N -3.193 -1.003 3.437 1.00 . A A . 7 THR N 1 1
14 3208 1 1 7 THR O O -1.536 -3.648 1.900 1.00 . A A . 7 THR O 1 1
14 3209 1 1 7 THR OG1 O -3.883 -2.522 5.575 1.00 . A A . 7 THR OG1 1 1
14 3210 1 1 8 ABA C C -2.200 -2.652 -0.932 1.00 . A A . 8 AIB C 1 1
14 3211 1 1 8 ABA CA C -3.383 -3.196 -0.128 1.00 . A A . 8 AIB CA 1 1
14 3212 1 1 8 ABA H H -4.227 -2.050 1.393 1.00 . A A . 8 AIB H 1 1
14 3213 1 1 8 ABA N N -3.450 -2.655 1.219 1.00 . A A . 8 AIB N 1 1
14 3214 1 1 8 ABA O O -1.643 -3.352 -1.777 1.00 . A A . 8 AIB O 1 1
14 3215 1 1 9 LEU C C 0.529 -0.926 -0.780 1.00 . A A . 9 LEU C 1 1
14 3216 1 1 9 LEU CA C -0.842 -0.712 -1.422 1.00 . A A . 9 LEU CA 1 1
14 3217 1 1 9 LEU CB C -1.218 0.762 -1.592 1.00 . A A . 9 LEU CB 1 1
14 3218 1 1 9 LEU CD1 C -2.873 2.515 -2.331 1.00 . A A . 9 LEU CD1 1 1
14 3219 1 1 9 LEU CD2 C -2.261 0.603 -3.883 1.00 . A A . 9 LEU CD2 1 1
14 3220 1 1 9 LEU CG C -2.466 1.043 -2.432 1.00 . A A . 9 LEU CG 1 1
14 3221 1 1 9 LEU H H -2.246 -0.877 0.109 1.00 . A A . 9 LEU H 1 1
14 3222 1 1 9 LEU HA H -0.833 -1.159 -2.416 1.00 . A A . 9 LEU HA 1 1
14 3223 1 1 9 LEU HB2 H -1.365 1.195 -0.602 1.00 . A A . 9 LEU HB2 1 1
14 3224 1 1 9 LEU HB3 H -0.374 1.282 -2.045 1.00 . A A . 9 LEU HB3 1 1
14 3225 1 1 9 LEU HD11 H -3.172 2.741 -1.308 1.00 . A A . 9 LEU HD11 1 1
14 3226 1 1 9 LEU HD12 H -2.029 3.146 -2.611 1.00 . A A . 9 LEU HD12 1 1
14 3227 1 1 9 LEU HD13 H -3.709 2.707 -3.005 1.00 . A A . 9 LEU HD13 1 1
14 3228 1 1 9 LEU HD21 H -1.300 0.972 -4.242 1.00 . A A . 9 LEU HD21 1 1
14 3229 1 1 9 LEU HD22 H -2.274 -0.485 -3.937 1.00 . A A . 9 LEU HD22 1 1
14 3230 1 1 9 LEU HD23 H -3.061 1.008 -4.502 1.00 . A A . 9 LEU HD23 1 1
14 3231 1 1 9 LEU HG H -3.289 0.453 -2.029 1.00 . A A . 9 LEU HG 1 1
14 3232 1 1 9 LEU N N -1.852 -1.407 -0.642 1.00 . A A . 9 LEU N 1 1
14 3233 1 1 9 LEU O O 1.559 -0.726 -1.423 1.00 . A A . 9 LEU O 1 1
14 3234 1 1 10 ABA C C 2.852 -2.140 0.559 1.00 . A A . 10 AIB C 1 1
14 3235 1 1 10 ABA CA C 1.717 -1.403 1.273 1.00 . A A . 10 AIB CA 1 1
14 3236 1 1 10 ABA H H -0.332 -1.606 0.962 1.00 . A A . 10 AIB H 1 1
14 3237 1 1 10 ABA N N 0.500 -1.331 0.481 1.00 . A A . 10 AIB N 1 1
14 3238 1 1 10 ABA O O 3.958 -1.615 0.436 1.00 . A A . 10 AIB O 1 1
14 3239 1 1 11 HYP C C 3.950 -3.793 -1.870 1.00 . A A . 11 HYP C 1 1
14 3240 1 1 11 HYP CA C 3.544 -4.252 -0.469 1.00 . A A . 11 HYP CA 1 1
14 3241 1 1 11 HYP CB C 2.919 -5.637 -0.456 1.00 . A A . 11 HYP CB 1 1
14 3242 1 1 11 HYP CD C 1.197 -3.971 0.090 1.00 . A A . 11 HYP CD 1 1
14 3243 1 1 11 HYP CG C 1.420 -5.418 -0.322 1.00 . A A . 11 HYP CG 1 1
14 3244 1 1 11 HYP HA H 4.450 -4.212 0.135 1.00 . A A . 11 HYP HA 1 1
14 3245 1 1 11 HYP HB2 H 3.154 -6.180 -1.370 1.00 . A A . 11 HYP HB2 1 1
14 3246 1 1 11 HYP HB3 H 3.302 -6.231 0.375 1.00 . A A . 11 HYP HB3 1 1
14 3247 1 1 11 HYP HD1 H 0.151 -6.746 0.604 1.00 . A A . 11 HYP HD1 1 1
14 3248 1 1 11 HYP HD22 H 0.536 -3.459 -0.609 1.00 . A A . 11 HYP HD22 1 1
14 3249 1 1 11 HYP HD23 H 0.732 -3.908 1.074 1.00 . A A . 11 HYP HD23 1 1
14 3250 1 1 11 HYP HG H 0.886 -5.669 -1.238 1.00 . A A . 11 HYP HG 1 1
14 3251 1 1 11 HYP N N 2.530 -3.377 0.094 1.00 . A A . 11 HYP N 1 1
14 3252 1 1 11 HYP O O 4.952 -4.255 -2.413 1.00 . A A . 11 HYP O 1 1
14 3253 1 1 11 HYP OD1 O 0.985 -6.245 0.837 1.00 . A A . 11 HYP OD1 1 1
14 3254 1 1 12 GLN C C 4.287 -1.277 -3.868 1.00 . A A . 12 GLN C 1 1
14 3255 1 1 12 GLN CA C 3.329 -2.467 -3.795 1.00 . A A . 12 GLN CA 1 1
14 3256 1 1 12 GLN CB C 1.984 -2.129 -4.443 1.00 . A A . 12 GLN CB 1 1
14 3257 1 1 12 GLN CD C -0.258 -3.030 -5.164 1.00 . A A . 12 GLN CD 1 1
14 3258 1 1 12 GLN CG C 1.058 -3.347 -4.450 1.00 . A A . 12 GLN CG 1 1
14 3259 1 1 12 GLN H H 2.394 -2.446 -1.934 1.00 . A A . 12 GLN H 1 1
14 3260 1 1 12 GLN HA H 3.766 -3.325 -4.306 1.00 . A A . 12 GLN HA 1 1
14 3261 1 1 12 GLN HB2 H 1.511 -1.311 -3.901 1.00 . A A . 12 GLN HB2 1 1
14 3262 1 1 12 GLN HB3 H 2.145 -1.785 -5.465 1.00 . A A . 12 GLN HB3 1 1
14 3263 1 1 12 GLN HE21 H -0.639 -5.017 -5.242 1.00 . A A . 12 GLN HE21 1 1
14 3264 1 1 12 GLN HE22 H -1.853 -4.002 -5.946 1.00 . A A . 12 GLN HE22 1 1
14 3265 1 1 12 GLN HG2 H 1.552 -4.182 -4.944 1.00 . A A . 12 GLN HG2 1 1
14 3266 1 1 12 GLN HG3 H 0.853 -3.658 -3.425 1.00 . A A . 12 GLN HG3 1 1
14 3267 1 1 12 GLN N N 3.150 -2.888 -2.416 1.00 . A A . 12 GLN N 1 1
14 3268 1 1 12 GLN NE2 N -0.976 -4.105 -5.477 1.00 . A A . 12 GLN NE2 1 1
14 3269 1 1 12 GLN O O 4.995 -1.104 -4.858 1.00 . A A . 12 GLN O 1 1
14 3270 1 1 12 GLN OE1 O -0.599 -1.886 -5.414 1.00 . A A . 12 GLN OE1 1 1
14 3271 1 1 13 ABA C C 6.432 0.677 -3.250 1.00 . A A . 13 AIB C 1 1
14 3272 1 1 13 ABA CA C 4.968 0.793 -2.818 1.00 . A A . 13 AIB CA 1 1
14 3273 1 1 13 ABA H H 3.809 -0.703 -1.948 1.00 . A A . 13 AIB H 1 1
14 3274 1 1 13 ABA N N 4.277 -0.485 -2.806 1.00 . A A . 13 AIB N 1 1
14 3275 1 1 13 ABA O O 6.876 1.387 -4.150 1.00 . A A . 13 AIB O 1 1
14 3276 1 1 14 HYP C C 9.073 -0.843 -3.993 1.00 . A A . 14 HYP C 1 1
14 3277 1 1 14 HYP CA C 8.610 -0.269 -2.652 1.00 . A A . 14 HYP CA 1 1
14 3278 1 1 14 HYP CB C 9.061 -1.101 -1.462 1.00 . A A . 14 HYP CB 1 1
14 3279 1 1 14 HYP CD C 6.623 -1.293 -1.700 1.00 . A A . 14 HYP CD 1 1
14 3280 1 1 14 HYP CG C 7.843 -1.897 -1.024 1.00 . A A . 14 HYP CG 1 1
14 3281 1 1 14 HYP HA H 9.003 0.747 -2.608 1.00 . A A . 14 HYP HA 1 1
14 3282 1 1 14 HYP HB2 H 9.882 -1.762 -1.737 1.00 . A A . 14 HYP HB2 1 1
14 3283 1 1 14 HYP HB3 H 9.422 -0.462 -0.654 1.00 . A A . 14 HYP HB3 1 1
14 3284 1 1 14 HYP HD1 H 6.813 -2.014 0.754 1.00 . A A . 14 HYP HD1 1 1
14 3285 1 1 14 HYP HD22 H 6.077 -2.041 -2.274 1.00 . A A . 14 HYP HD22 1 1
14 3286 1 1 14 HYP HD23 H 5.927 -0.882 -0.969 1.00 . A A . 14 HYP HD23 1 1
14 3287 1 1 14 HYP HG H 7.947 -2.959 -1.242 1.00 . A A . 14 HYP HG 1 1
14 3288 1 1 14 HYP N N 7.159 -0.247 -2.567 1.00 . A A . 14 HYP N 1 1
14 3289 1 1 14 HYP O O 10.168 -0.534 -4.460 1.00 . A A . 14 HYP O 1 1
14 3290 1 1 14 HYP OD1 O 7.677 -1.628 0.432 1.00 . A A . 14 HYP OD1 1 1
14 3291 1 1 15 ABA C C 9.548 -2.045 -6.640 1.00 . A A . 15 AIB C 1 1
14 3292 1 1 15 ABA CA C 8.663 -2.649 -5.549 1.00 . A A . 15 AIB CA 1 1
14 3293 1 1 15 ABA H H 7.232 -1.676 -4.388 1.00 . A A . 15 AIB H 1 1
14 3294 1 1 15 ABA N N 8.215 -1.669 -4.573 1.00 . A A . 15 AIB N 1 1
14 3295 1 1 15 ABA O O 10.669 -2.501 -6.859 1.00 . A A . 15 AIB O 1 1
14 3296 1 1 16 PRO C C 10.852 0.270 -8.307 1.00 . A A . 16 PRO C 1 1
14 3297 1 1 16 PRO CA C 9.570 -0.526 -8.561 1.00 . A A . 16 PRO CA 1 1
14 3298 1 1 16 PRO CB C 8.474 0.303 -9.209 1.00 . A A . 16 PRO CB 1 1
14 3299 1 1 16 PRO CD C 7.813 -0.246 -6.907 1.00 . A A . 16 PRO CD 1 1
14 3300 1 1 16 PRO CG C 7.498 0.648 -8.096 1.00 . A A . 16 PRO CG 1 1
14 3301 1 1 16 PRO HA H 9.839 -1.300 -9.135 1.00 . A A . 16 PRO HA 1 1
14 3302 1 1 16 PRO HB2 H 8.883 1.206 -9.663 1.00 . A A . 16 PRO HB2 1 1
14 3303 1 1 16 PRO HB3 H 7.978 -0.255 -10.003 1.00 . A A . 16 PRO HB3 1 1
14 3304 1 1 16 PRO HD2 H 8.009 0.343 -6.011 1.00 . A A . 16 PRO HD2 1 1
14 3305 1 1 16 PRO HD3 H 6.980 -0.909 -6.678 1.00 . A A . 16 PRO HD3 1 1
14 3306 1 1 16 PRO HG2 H 7.590 1.698 -7.819 1.00 . A A . 16 PRO HG2 1 1
14 3307 1 1 16 PRO HG3 H 6.472 0.494 -8.427 1.00 . A A . 16 PRO HG3 1 1
14 3308 1 1 16 PRO N N 8.996 -1.001 -7.313 1.00 . A A . 16 PRO N 1 1
14 3309 1 1 16 PRO O O 11.611 0.544 -9.235 1.00 . A A . 16 PRO O 1 1
14 3310 1 1 17 PHL C C 13.315 0.573 -6.083 1.00 . A A . 17 PHL C 1 1
14 3311 1 1 17 PHL CA C 12.194 1.436 -6.667 1.00 . A A . 17 PHL CA 1 1
14 3312 1 1 17 PHL CB C 11.709 2.414 -5.595 1.00 . A A . 17 PHL CB 1 1
14 3313 1 1 17 PHL CD1 C 10.666 4.235 -6.962 1.00 . A A . 17 PHL CD1 1 1
14 3314 1 1 17 PHL CD2 C 9.289 3.046 -5.466 1.00 . A A . 17 PHL CD2 1 1
14 3315 1 1 17 PHL CE1 C 9.553 5.022 -7.360 1.00 . A A . 17 PHL CE1 1 1
14 3316 1 1 17 PHL CE2 C 8.176 3.833 -5.863 1.00 . A A . 17 PHL CE2 1 1
14 3317 1 1 17 PHL CG C 10.510 3.263 -6.023 1.00 . A A . 17 PHL CG 1 1
14 3318 1 1 17 PHL CZ C 8.332 4.805 -6.802 1.00 . A A . 17 PHL CZ 1 1
14 3319 1 1 17 PHL H2 H 10.453 0.355 -6.289 1.00 . A A . 17 PHL H2 1 1
14 3320 1 1 17 PHL HA H 12.550 1.930 -7.570 1.00 . A A . 17 PHL HA 1 1
14 3321 1 1 17 PHL HB2 H 11.442 1.852 -4.700 1.00 . A A . 17 PHL HB2 1 1
14 3322 1 1 17 PHL HB3 H 12.531 3.076 -5.323 1.00 . A A . 17 PHL HB3 1 1
14 3323 1 1 17 PHL HC1 H 13.609 -0.173 -6.822 1.00 . A A . 17 PHL HC1 1 1
14 3324 1 1 17 PHL HC2 H 12.951 0.083 -5.181 1.00 . A A . 17 PHL HC2 1 1
14 3325 1 1 17 PHL HD1 H 11.644 4.408 -7.409 1.00 . A A . 17 PHL HD1 1 1
14 3326 1 1 17 PHL HD2 H 9.164 2.267 -4.713 1.00 . A A . 17 PHL HD2 1 1
14 3327 1 1 17 PHL HE1 H 9.677 5.800 -8.113 1.00 . A A . 17 PHL HE1 1 1
14 3328 1 1 17 PHL HE2 H 7.197 3.659 -5.416 1.00 . A A . 17 PHL HE2 1 1
14 3329 1 1 17 PHL HO H 14.691 1.966 -6.496 1.00 . A A . 17 PHL HO 1 1
14 3330 1 1 17 PHL HZ H 7.478 5.410 -7.107 1.00 . A A . 17 PHL HZ 1 1
14 3331 1 1 17 PHL N N 11.052 0.620 -7.045 1.00 . A A . 17 PHL N 1 1
14 3332 1 1 17 PHL O O 14.463 1.348 -5.746 1.00 . A A . 17 PHL O 1 1
15 3333 1 1 1 ACE C C -9.732 2.700 4.079 1.00 . A A . 1 ACE C 1 1
15 3334 1 1 1 ACE CH3 C -11.115 2.262 4.417 1.00 . A A . 1 ACE CH3 1 1
15 3335 1 1 1 ACE H1 H -11.342 1.335 3.890 1.00 . A A . 1 ACE H1 1 1
15 3336 1 1 1 ACE H2 H -11.194 2.098 5.491 1.00 . A A . 1 ACE H2 1 1
15 3337 1 1 1 ACE H3 H -11.825 3.034 4.114 1.00 . A A . 1 ACE H3 1 1
15 3338 1 1 1 ACE O O -9.119 2.173 3.152 1.00 . A A . 1 ACE O 1 1
15 3339 1 1 2 TRP C C -6.906 3.103 4.979 1.00 . A A . 2 TRP C 1 1
15 3340 1 1 2 TRP CA C -7.914 4.199 4.625 1.00 . A A . 2 TRP CA 1 1
15 3341 1 1 2 TRP CB C -7.699 5.488 5.421 1.00 . A A . 2 TRP CB 1 1
15 3342 1 1 2 TRP CD1 C -5.963 6.545 3.831 1.00 . A A . 2 TRP CD1 1 1
15 3343 1 1 2 TRP CD2 C -5.442 6.775 5.971 1.00 . A A . 2 TRP CD2 1 1
15 3344 1 1 2 TRP CE2 C -4.442 7.377 5.236 1.00 . A A . 2 TRP CE2 1 1
15 3345 1 1 2 TRP CE3 C -5.405 6.750 7.377 1.00 . A A . 2 TRP CE3 1 1
15 3346 1 1 2 TRP CG C -6.419 6.240 5.053 1.00 . A A . 2 TRP CG 1 1
15 3347 1 1 2 TRP CH2 C -3.272 7.987 7.218 1.00 . A A . 2 TRP CH2 1 1
15 3348 1 1 2 TRP CZ2 C -3.331 8.000 5.819 1.00 . A A . 2 TRP CZ2 1 1
15 3349 1 1 2 TRP CZ3 C -4.288 7.375 7.944 1.00 . A A . 2 TRP CZ3 1 1
15 3350 1 1 2 TRP H H -9.752 4.086 5.600 1.00 . A A . 2 TRP H 1 1
15 3351 1 1 2 TRP HA H -7.828 4.459 3.570 1.00 . A A . 2 TRP HA 1 1
15 3352 1 1 2 TRP HB2 H -8.554 6.146 5.263 1.00 . A A . 2 TRP HB2 1 1
15 3353 1 1 2 TRP HB3 H -7.675 5.247 6.483 1.00 . A A . 2 TRP HB3 1 1
15 3354 1 1 2 TRP HD1 H -6.471 6.282 2.903 1.00 . A A . 2 TRP HD1 1 1
15 3355 1 1 2 TRP HE1 H -4.188 7.597 3.045 1.00 . A A . 2 TRP HE1 1 1
15 3356 1 1 2 TRP HE3 H -6.183 6.279 7.979 1.00 . A A . 2 TRP HE3 1 1
15 3357 1 1 2 TRP HH2 H -2.435 8.454 7.735 1.00 . A A . 2 TRP HH2 1 1
15 3358 1 1 2 TRP HZ2 H -2.554 8.469 5.216 1.00 . A A . 2 TRP HZ2 1 1
15 3359 1 1 2 TRP HZ3 H -4.210 7.384 9.030 1.00 . A A . 2 TRP HZ3 1 1
15 3360 1 1 2 TRP N N -9.249 3.668 4.844 1.00 . A A . 2 TRP N 1 1
15 3361 1 1 2 TRP NE1 N -4.768 7.233 3.892 1.00 . A A . 2 TRP NE1 1 1
15 3362 1 1 2 TRP O O -5.863 2.985 4.337 1.00 . A A . 2 TRP O 1 1
15 3363 1 1 3 ILE C C -6.302 0.195 5.323 1.00 . A A . 3 ILE C 1 1
15 3364 1 1 3 ILE CA C -6.396 1.241 6.435 1.00 . A A . 3 ILE CA 1 1
15 3365 1 1 3 ILE CB C -6.887 0.677 7.771 1.00 . A A . 3 ILE CB 1 1
15 3366 1 1 3 ILE CD1 C -4.938 1.180 9.289 1.00 . A A . 3 ILE CD1 1 1
15 3367 1 1 3 ILE CG1 C -6.387 1.527 8.941 1.00 . A A . 3 ILE CG1 1 1
15 3368 1 1 3 ILE CG2 C -6.496 -0.794 7.921 1.00 . A A . 3 ILE CG2 1 1
15 3369 1 1 3 ILE H H -8.099 2.439 6.519 1.00 . A A . 3 ILE H 1 1
15 3370 1 1 3 ILE HA H -5.402 1.655 6.606 1.00 . A A . 3 ILE HA 1 1
15 3371 1 1 3 ILE HB H -7.976 0.725 7.780 1.00 . A A . 3 ILE HB 1 1
15 3372 1 1 3 ILE HD11 H -4.536 1.936 9.964 1.00 . A A . 3 ILE HD11 1 1
15 3373 1 1 3 ILE HD12 H -4.903 0.205 9.774 1.00 . A A . 3 ILE HD12 1 1
15 3374 1 1 3 ILE HD13 H -4.341 1.155 8.377 1.00 . A A . 3 ILE HD13 1 1
15 3375 1 1 3 ILE HG12 H -6.461 2.584 8.686 1.00 . A A . 3 ILE HG12 1 1
15 3376 1 1 3 ILE HG13 H -7.022 1.362 9.811 1.00 . A A . 3 ILE HG13 1 1
15 3377 1 1 3 ILE HG21 H -7.076 -1.397 7.223 1.00 . A A . 3 ILE HG21 1 1
15 3378 1 1 3 ILE HG22 H -5.434 -0.911 7.708 1.00 . A A . 3 ILE HG22 1 1
15 3379 1 1 3 ILE HG23 H -6.701 -1.122 8.941 1.00 . A A . 3 ILE HG23 1 1
15 3380 1 1 3 ILE N N -7.252 2.330 5.997 1.00 . A A . 3 ILE N 1 1
15 3381 1 1 3 ILE O O -5.259 -0.433 5.144 1.00 . A A . 3 ILE O 1 1
15 3382 1 1 4 GLN C C -6.696 -0.488 2.323 1.00 . A A . 4 GLN C 1 1
15 3383 1 1 4 GLN CA C -7.475 -0.959 3.551 1.00 . A A . 4 GLN CA 1 1
15 3384 1 1 4 GLN CB C -8.929 -1.273 3.191 1.00 . A A . 4 GLN CB 1 1
15 3385 1 1 4 GLN CD C -11.098 -2.226 4.057 1.00 . A A . 4 GLN CD 1 1
15 3386 1 1 4 GLN CG C -9.584 -2.143 4.265 1.00 . A A . 4 GLN CG 1 1
15 3387 1 1 4 GLN H H -8.237 0.577 4.735 1.00 . A A . 4 GLN H 1 1
15 3388 1 1 4 GLN HA H -7.009 -1.853 3.965 1.00 . A A . 4 GLN HA 1 1
15 3389 1 1 4 GLN HB2 H -9.489 -0.344 3.079 1.00 . A A . 4 GLN HB2 1 1
15 3390 1 1 4 GLN HB3 H -8.967 -1.786 2.230 1.00 . A A . 4 GLN HB3 1 1
15 3391 1 1 4 GLN HE21 H -10.789 -3.761 2.774 1.00 . A A . 4 GLN HE21 1 1
15 3392 1 1 4 GLN HE22 H -12.446 -3.311 3.006 1.00 . A A . 4 GLN HE22 1 1
15 3393 1 1 4 GLN HG2 H -9.154 -3.144 4.240 1.00 . A A . 4 GLN HG2 1 1
15 3394 1 1 4 GLN HG3 H -9.372 -1.730 5.252 1.00 . A A . 4 GLN HG3 1 1
15 3395 1 1 4 GLN N N -7.404 0.038 4.606 1.00 . A A . 4 GLN N 1 1
15 3396 1 1 4 GLN NE2 N -11.475 -3.179 3.209 1.00 . A A . 4 GLN NE2 1 1
15 3397 1 1 4 GLN O O -5.893 -1.236 1.767 1.00 . A A . 4 GLN O 1 1
15 3398 1 1 4 GLN OE1 O -11.872 -1.475 4.628 1.00 . A A . 4 GLN OE1 1 1
15 3399 1 1 5 . C C -4.630 1.269 1.233 1.00 . A A . 5 DIV C 1 1
15 3400 1 1 5 . CA C -6.126 1.420 0.949 1.00 . A A . 5 DIV CA 1 1
15 3401 1 1 5 . CB1 C -6.403 0.846 -0.441 1.00 . A A . 5 DIV CB1 1 1
15 3402 1 1 5 . CB2 C -6.464 2.910 0.979 1.00 . A A . 5 DIV CB2 1 1
15 3403 1 1 5 . CG1 C -7.897 0.715 -0.746 1.00 . A A . 5 DIV CG1 1 1
15 3404 1 1 5 . H H -7.727 1.294 2.276 1.00 . A A . 5 DIV H 1 1
15 3405 1 1 5 . HB11 H -5.961 -0.146 -0.518 1.00 . A A . 5 DIV HB11 1 1
15 3406 1 1 5 . HB12 H -5.966 1.497 -1.197 1.00 . A A . 5 DIV HB12 1 1
15 3407 1 1 5 . HB21 H -7.540 3.040 0.860 1.00 . A A . 5 DIV HB21 1 1
15 3408 1 1 5 . HB22 H -6.152 3.334 1.935 1.00 . A A . 5 DIV HB22 1 1
15 3409 1 1 5 . HB23 H -5.943 3.419 0.168 1.00 . A A . 5 DIV HB23 1 1
15 3410 1 1 5 . HG11 H -8.384 1.680 -0.600 1.00 . A A . 5 DIV HG11 1 1
15 3411 1 1 5 . HG12 H -8.031 0.395 -1.779 1.00 . A A . 5 DIV HG12 1 1
15 3412 1 1 5 . HG13 H -8.342 -0.020 -0.077 1.00 . A A . 5 DIV HG13 1 1
15 3413 1 1 5 . N N -6.960 0.750 1.932 1.00 . A A . 5 DIV N 1 1
15 3414 1 1 5 . O O -3.856 0.924 0.341 1.00 . A A . 5 DIV O 1 1
15 3415 1 1 6 ILE C C -2.447 -0.064 2.707 1.00 . A A . 6 ILE C 1 1
15 3416 1 1 6 ILE CA C -2.886 1.389 2.904 1.00 . A A . 6 ILE CA 1 1
15 3417 1 1 6 ILE CB C -2.708 1.895 4.337 1.00 . A A . 6 ILE CB 1 1
15 3418 1 1 6 ILE CD1 C -3.017 3.938 5.783 1.00 . A A . 6 ILE CD1 1 1
15 3419 1 1 6 ILE CG1 C -2.693 3.425 4.379 1.00 . A A . 6 ILE CG1 1 1
15 3420 1 1 6 ILE CG2 C -1.460 1.291 4.982 1.00 . A A . 6 ILE CG2 1 1
15 3421 1 1 6 ILE H H -4.898 1.844 3.191 1.00 . A A . 6 ILE H 1 1
15 3422 1 1 6 ILE HA H -2.277 2.024 2.260 1.00 . A A . 6 ILE HA 1 1
15 3423 1 1 6 ILE HB H -3.566 1.566 4.923 1.00 . A A . 6 ILE HB 1 1
15 3424 1 1 6 ILE HD11 H -3.096 5.025 5.764 1.00 . A A . 6 ILE HD11 1 1
15 3425 1 1 6 ILE HD12 H -3.963 3.510 6.117 1.00 . A A . 6 ILE HD12 1 1
15 3426 1 1 6 ILE HD13 H -2.223 3.642 6.470 1.00 . A A . 6 ILE HD13 1 1
15 3427 1 1 6 ILE HG12 H -1.713 3.790 4.071 1.00 . A A . 6 ILE HG12 1 1
15 3428 1 1 6 ILE HG13 H -3.418 3.819 3.668 1.00 . A A . 6 ILE HG13 1 1
15 3429 1 1 6 ILE HG21 H -1.278 1.772 5.943 1.00 . A A . 6 ILE HG21 1 1
15 3430 1 1 6 ILE HG22 H -1.611 0.222 5.135 1.00 . A A . 6 ILE HG22 1 1
15 3431 1 1 6 ILE HG23 H -0.602 1.447 4.329 1.00 . A A . 6 ILE HG23 1 1
15 3432 1 1 6 ILE N N -4.267 1.534 2.479 1.00 . A A . 6 ILE N 1 1
15 3433 1 1 6 ILE O O -1.485 -0.334 1.987 1.00 . A A . 6 ILE O 1 1
15 3434 1 1 7 THR C C -2.507 -2.922 2.048 1.00 . A A . 7 THR C 1 1
15 3435 1 1 7 THR CA C -2.744 -2.348 3.447 1.00 . A A . 7 THR CA 1 1
15 3436 1 1 7 THR CB C -3.797 -3.116 4.248 1.00 . A A . 7 THR CB 1 1
15 3437 1 1 7 THR CG2 C -3.456 -4.601 4.389 1.00 . A A . 7 THR CG2 1 1
15 3438 1 1 7 THR H H -4.035 -0.754 3.820 1.00 . A A . 7 THR H 1 1
15 3439 1 1 7 THR HA H -1.791 -2.380 3.972 1.00 . A A . 7 THR HA 1 1
15 3440 1 1 7 THR HB H -4.788 -2.983 3.817 1.00 . A A . 7 THR HB 1 1
15 3441 1 1 7 THR HG1 H -4.374 -1.916 5.743 1.00 . A A . 7 THR HG1 1 1
15 3442 1 1 7 THR HG21 H -3.618 -5.103 3.436 1.00 . A A . 7 THR HG21 1 1
15 3443 1 1 7 THR HG22 H -2.412 -4.708 4.683 1.00 . A A . 7 THR HG22 1 1
15 3444 1 1 7 THR HG23 H -4.096 -5.050 5.150 1.00 . A A . 7 THR HG23 1 1
15 3445 1 1 7 THR N N -3.172 -0.961 3.359 1.00 . A A . 7 THR N 1 1
15 3446 1 1 7 THR O O -1.504 -3.593 1.811 1.00 . A A . 7 THR O 1 1
15 3447 1 1 7 THR OG1 O -3.667 -2.603 5.572 1.00 . A A . 7 THR OG1 1 1
15 3448 1 1 8 ABA C C -2.217 -2.614 -1.002 1.00 . A A . 8 AIB C 1 1
15 3449 1 1 8 ABA CA C -3.387 -3.172 -0.191 1.00 . A A . 8 AIB CA 1 1
15 3450 1 1 8 ABA H H -4.239 -2.057 1.348 1.00 . A A . 8 AIB H 1 1
15 3451 1 1 8 ABA N N -3.447 -2.639 1.160 1.00 . A A . 8 AIB N 1 1
15 3452 1 1 8 ABA O O -1.655 -3.307 -1.849 1.00 . A A . 8 AIB O 1 1
15 3453 1 1 9 LEU C C 0.504 -0.919 -0.857 1.00 . A A . 9 LEU C 1 1
15 3454 1 1 9 LEU CA C -0.868 -0.665 -1.483 1.00 . A A . 9 LEU CA 1 1
15 3455 1 1 9 LEU CB C -1.220 0.819 -1.612 1.00 . A A . 9 LEU CB 1 1
15 3456 1 1 9 LEU CD1 C -2.868 2.609 -2.274 1.00 . A A . 9 LEU CD1 1 1
15 3457 1 1 9 LEU CD2 C -2.246 0.777 -3.915 1.00 . A A . 9 LEU CD2 1 1
15 3458 1 1 9 LEU CG C -2.461 1.144 -2.446 1.00 . A A . 9 LEU CG 1 1
15 3459 1 1 9 LEU H H -2.294 -0.831 0.026 1.00 . A A . 9 LEU H 1 1
15 3460 1 1 9 LEU HA H -0.872 -1.085 -2.489 1.00 . A A . 9 LEU HA 1 1
15 3461 1 1 9 LEU HB2 H -1.362 1.226 -0.611 1.00 . A A . 9 LEU HB2 1 1
15 3462 1 1 9 LEU HB3 H -0.367 1.337 -2.049 1.00 . A A . 9 LEU HB3 1 1
15 3463 1 1 9 LEU HD11 H -2.099 3.252 -2.700 1.00 . A A . 9 LEU HD11 1 1
15 3464 1 1 9 LEU HD12 H -3.814 2.785 -2.785 1.00 . A A . 9 LEU HD12 1 1
15 3465 1 1 9 LEU HD13 H -2.981 2.832 -1.212 1.00 . A A . 9 LEU HD13 1 1
15 3466 1 1 9 LEU HD21 H -2.253 -0.307 -4.024 1.00 . A A . 9 LEU HD21 1 1
15 3467 1 1 9 LEU HD22 H -3.045 1.209 -4.517 1.00 . A A . 9 LEU HD22 1 1
15 3468 1 1 9 LEU HD23 H -1.286 1.170 -4.250 1.00 . A A . 9 LEU HD23 1 1
15 3469 1 1 9 LEU HG H -3.287 0.535 -2.079 1.00 . A A . 9 LEU HG 1 1
15 3470 1 1 9 LEU N N -1.883 -1.364 -0.715 1.00 . A A . 9 LEU N 1 1
15 3471 1 1 9 LEU O O 1.532 -0.737 -1.509 1.00 . A A . 9 LEU O 1 1
15 3472 1 1 10 ABA C C 2.848 -2.087 0.505 1.00 . A A . 10 AIB C 1 1
15 3473 1 1 10 ABA CA C 1.688 -1.374 1.203 1.00 . A A . 10 AIB CA 1 1
15 3474 1 1 10 ABA H H -0.350 -1.645 0.869 1.00 . A A . 10 AIB H 1 1
15 3475 1 1 10 ABA N N 0.478 -1.337 0.400 1.00 . A A . 10 AIB N 1 1
15 3476 1 1 10 ABA O O 3.946 -1.544 0.405 1.00 . A A . 10 AIB O 1 1
15 3477 1 1 11 HYP C C 4.067 -3.736 -1.868 1.00 . A A . 11 HYP C 1 1
15 3478 1 1 11 HYP CA C 3.598 -4.196 -0.487 1.00 . A A . 11 HYP CA 1 1
15 3479 1 1 11 HYP CB C 2.980 -5.585 -0.501 1.00 . A A . 11 HYP CB 1 1
15 3480 1 1 11 HYP CD C 1.225 -3.928 -0.039 1.00 . A A . 11 HYP CD 1 1
15 3481 1 1 11 HYP CG C 1.477 -5.373 -0.438 1.00 . A A . 11 HYP CG 1 1
15 3482 1 1 11 HYP HA H 4.475 -4.151 0.159 1.00 . A A . 11 HYP HA 1 1
15 3483 1 1 11 HYP HB2 H 3.261 -6.129 -1.403 1.00 . A A . 11 HYP HB2 1 1
15 3484 1 1 11 HYP HB3 H 3.327 -6.175 0.347 1.00 . A A . 11 HYP HB3 1 1
15 3485 1 1 11 HYP HD1 H 0.021 -6.411 0.581 1.00 . A A . 11 HYP HD1 1 1
15 3486 1 1 11 HYP HD22 H 0.596 -3.419 -0.768 1.00 . A A . 11 HYP HD22 1 1
15 3487 1 1 11 HYP HD23 H 0.715 -3.866 0.922 1.00 . A A . 11 HYP HD23 1 1
15 3488 1 1 11 HYP HG H 0.986 -5.629 -1.378 1.00 . A A . 11 HYP HG 1 1
15 3489 1 1 11 HYP N N 2.555 -3.326 0.026 1.00 . A A . 11 HYP N 1 1
15 3490 1 1 11 HYP O O 5.112 -4.171 -2.350 1.00 . A A . 11 HYP O 1 1
15 3491 1 1 11 HYP OD1 O 0.991 -6.203 0.700 1.00 . A A . 11 HYP OD1 1 1
15 3492 1 1 12 GLN C C 4.372 -1.196 -3.882 1.00 . A A . 12 GLN C 1 1
15 3493 1 1 12 GLN CA C 3.506 -2.456 -3.842 1.00 . A A . 12 GLN CA 1 1
15 3494 1 1 12 GLN CB C 2.185 -2.236 -4.582 1.00 . A A . 12 GLN CB 1 1
15 3495 1 1 12 GLN CD C 1.364 -4.070 -6.107 1.00 . A A . 12 GLN CD 1 1
15 3496 1 1 12 GLN CG C 1.385 -3.538 -4.673 1.00 . A A . 12 GLN CG 1 1
15 3497 1 1 12 GLN H H 2.480 -2.436 -2.030 1.00 . A A . 12 GLN H 1 1
15 3498 1 1 12 GLN HA H 4.040 -3.287 -4.303 1.00 . A A . 12 GLN HA 1 1
15 3499 1 1 12 GLN HB2 H 1.596 -1.478 -4.066 1.00 . A A . 12 GLN HB2 1 1
15 3500 1 1 12 GLN HB3 H 2.384 -1.858 -5.584 1.00 . A A . 12 GLN HB3 1 1
15 3501 1 1 12 GLN HE21 H 1.989 -5.862 -5.401 1.00 . A A . 12 GLN HE21 1 1
15 3502 1 1 12 GLN HE22 H 1.751 -5.783 -7.115 1.00 . A A . 12 GLN HE22 1 1
15 3503 1 1 12 GLN HG2 H 1.822 -4.284 -4.010 1.00 . A A . 12 GLN HG2 1 1
15 3504 1 1 12 GLN HG3 H 0.364 -3.365 -4.331 1.00 . A A . 12 GLN HG3 1 1
15 3505 1 1 12 GLN N N 3.271 -2.863 -2.467 1.00 . A A . 12 GLN N 1 1
15 3506 1 1 12 GLN NE2 N 1.732 -5.343 -6.217 1.00 . A A . 12 GLN NE2 1 1
15 3507 1 1 12 GLN O O 5.083 -0.957 -4.858 1.00 . A A . 12 GLN O 1 1
15 3508 1 1 12 GLN OE1 O 1.037 -3.370 -7.052 1.00 . A A . 12 GLN OE1 1 1
15 3509 1 1 13 ABA C C 6.432 0.790 -3.152 1.00 . A A . 13 AIB C 1 1
15 3510 1 1 13 ABA CA C 4.955 0.867 -2.762 1.00 . A A . 13 AIB CA 1 1
15 3511 1 1 13 ABA H H 3.772 -0.663 -1.987 1.00 . A A . 13 AIB H 1 1
15 3512 1 1 13 ABA N N 4.287 -0.422 -2.810 1.00 . A A . 13 AIB N 1 1
15 3513 1 1 13 ABA O O 6.883 1.514 -4.038 1.00 . A A . 13 AIB O 1 1
15 3514 1 1 14 HYP C C 9.026 -0.805 -3.903 1.00 . A A . 14 HYP C 1 1
15 3515 1 1 14 HYP CA C 8.610 -0.168 -2.575 1.00 . A A . 14 HYP CA 1 1
15 3516 1 1 14 HYP CB C 9.082 -0.957 -1.365 1.00 . A A . 14 HYP CB 1 1
15 3517 1 1 14 HYP CD C 6.635 -1.118 -1.527 1.00 . A A . 14 HYP CD 1 1
15 3518 1 1 14 HYP CG C 7.863 -1.714 -0.860 1.00 . A A . 14 HYP CG 1 1
15 3519 1 1 14 HYP HA H 9.021 0.842 -2.585 1.00 . A A . 14 HYP HA 1 1
15 3520 1 1 14 HYP HB2 H 9.884 -1.644 -1.634 1.00 . A A . 14 HYP HB2 1 1
15 3521 1 1 14 HYP HB3 H 9.475 -0.294 -0.595 1.00 . A A . 14 HYP HB3 1 1
15 3522 1 1 14 HYP HD1 H 7.639 -0.396 0.704 1.00 . A A . 14 HYP HD1 1 1
15 3523 1 1 14 HYP HD22 H 6.061 -1.880 -2.055 1.00 . A A . 14 HYP HD22 1 1
15 3524 1 1 14 HYP HD23 H 5.966 -0.665 -0.796 1.00 . A A . 14 HYP HD23 1 1
15 3525 1 1 14 HYP HG H 7.944 -2.786 -1.036 1.00 . A A . 14 HYP HG 1 1
15 3526 1 1 14 HYP N N 7.163 -0.119 -2.451 1.00 . A A . 14 HYP N 1 1
15 3527 1 1 14 HYP O O 10.101 -0.516 -4.425 1.00 . A A . 14 HYP O 1 1
15 3528 1 1 14 HYP OD1 O 7.744 -1.383 0.587 1.00 . A A . 14 HYP OD1 1 1
15 3529 1 1 15 ABA C C 9.445 -2.076 -6.495 1.00 . A A . 15 AIB C 1 1
15 3530 1 1 15 ABA CA C 8.559 -2.655 -5.390 1.00 . A A . 15 AIB CA 1 1
15 3531 1 1 15 ABA H H 7.183 -1.685 -4.163 1.00 . A A . 15 AIB H 1 1
15 3532 1 1 15 ABA N N 8.152 -1.662 -4.411 1.00 . A A . 15 AIB N 1 1
15 3533 1 1 15 ABA O O 10.565 -2.540 -6.707 1.00 . A A . 15 AIB O 1 1
15 3534 1 1 16 PRO C C 10.747 0.132 -8.302 1.00 . A A . 16 PRO C 1 1
15 3535 1 1 16 PRO CA C 9.435 -0.636 -8.475 1.00 . A A . 16 PRO CA 1 1
15 3536 1 1 16 PRO CB C 8.337 0.199 -9.115 1.00 . A A . 16 PRO CB 1 1
15 3537 1 1 16 PRO CD C 7.753 -0.239 -6.769 1.00 . A A . 16 PRO CD 1 1
15 3538 1 1 16 PRO CG C 7.415 0.616 -7.980 1.00 . A A . 16 PRO CG 1 1
15 3539 1 1 16 PRO HA H 9.660 -1.439 -9.028 1.00 . A A . 16 PRO HA 1 1
15 3540 1 1 16 PRO HB2 H 8.754 1.071 -9.620 1.00 . A A . 16 PRO HB2 1 1
15 3541 1 1 16 PRO HB3 H 7.797 -0.375 -9.866 1.00 . A A . 16 PRO HB3 1 1
15 3542 1 1 16 PRO HD2 H 7.998 0.378 -5.905 1.00 . A A . 16 PRO HD2 1 1
15 3543 1 1 16 PRO HD3 H 6.910 -0.867 -6.481 1.00 . A A . 16 PRO HD3 1 1
15 3544 1 1 16 PRO HG2 H 7.547 1.673 -7.750 1.00 . A A . 16 PRO HG2 1 1
15 3545 1 1 16 PRO HG3 H 6.373 0.478 -8.266 1.00 . A A . 16 PRO HG3 1 1
15 3546 1 1 16 PRO N N 8.897 -1.043 -7.189 1.00 . A A . 16 PRO N 1 1
15 3547 1 1 16 PRO O O 11.468 0.364 -9.272 1.00 . A A . 16 PRO O 1 1
15 3548 1 1 17 PHL C C 13.309 0.395 -6.178 1.00 . A A . 17 PHL C 1 1
15 3549 1 1 17 PHL CA C 12.205 1.284 -6.754 1.00 . A A . 17 PHL CA 1 1
15 3550 1 1 17 PHL CB C 11.804 2.322 -5.706 1.00 . A A . 17 PHL CB 1 1
15 3551 1 1 17 PHL CD1 C 9.431 3.115 -5.569 1.00 . A A . 17 PHL CD1 1 1
15 3552 1 1 17 PHL CD2 C 10.869 4.175 -7.106 1.00 . A A . 17 PHL CD2 1 1
15 3553 1 1 17 PHL CE1 C 8.370 3.966 -5.976 1.00 . A A . 17 PHL CE1 1 1
15 3554 1 1 17 PHL CE2 C 9.806 5.026 -7.512 1.00 . A A . 17 PHL CE2 1 1
15 3555 1 1 17 PHL CG C 10.659 3.238 -6.143 1.00 . A A . 17 PHL CG 1 1
15 3556 1 1 17 PHL CZ C 8.580 4.903 -6.939 1.00 . A A . 17 PHL CZ 1 1
15 3557 1 1 17 PHL H2 H 10.441 0.287 -6.272 1.00 . A A . 17 PHL H2 1 1
15 3558 1 1 17 PHL HA H 12.550 1.729 -7.688 1.00 . A A . 17 PHL HA 1 1
15 3559 1 1 17 PHL HB2 H 11.511 1.806 -4.791 1.00 . A A . 17 PHL HB2 1 1
15 3560 1 1 17 PHL HB3 H 12.672 2.933 -5.463 1.00 . A A . 17 PHL HB3 1 1
15 3561 1 1 17 PHL HC1 H 14.192 1.005 -5.986 1.00 . A A . 17 PHL HC1 1 1
15 3562 1 1 17 PHL HC2 H 13.547 -0.388 -6.899 1.00 . A A . 17 PHL HC2 1 1
15 3563 1 1 17 PHL HD1 H 9.263 2.364 -4.797 1.00 . A A . 17 PHL HD1 1 1
15 3564 1 1 17 PHL HD2 H 11.852 4.274 -7.566 1.00 . A A . 17 PHL HD2 1 1
15 3565 1 1 17 PHL HE1 H 7.386 3.868 -5.516 1.00 . A A . 17 PHL HE1 1 1
15 3566 1 1 17 PHL HE2 H 9.974 5.777 -8.284 1.00 . A A . 17 PHL HE2 1 1
15 3567 1 1 17 PHL HO H 13.607 -0.880 -4.665 1.00 . A A . 17 PHL HO 1 1
15 3568 1 1 17 PHL HZ H 7.764 5.555 -7.251 1.00 . A A . 17 PHL HZ 1 1
15 3569 1 1 17 PHL N N 11.017 0.506 -7.060 1.00 . A A . 17 PHL N 1 1
15 3570 1 1 17 PHL O O 12.914 -0.222 -4.956 1.00 . A A . 17 PHL O 1 1
16 3571 1 1 1 ACE C C -9.690 2.738 4.007 1.00 . A A . 1 ACE C 1 1
16 3572 1 1 1 ACE CH3 C -11.069 2.323 4.390 1.00 . A A . 1 ACE CH3 1 1
16 3573 1 1 1 ACE H1 H -11.773 3.115 4.132 1.00 . A A . 1 ACE H1 1 1
16 3574 1 1 1 ACE H2 H -11.336 1.411 3.855 1.00 . A A . 1 ACE H2 1 1
16 3575 1 1 1 ACE H3 H -11.109 2.140 5.463 1.00 . A A . 1 ACE H3 1 1
16 3576 1 1 1 ACE O O -9.126 2.216 3.047 1.00 . A A . 1 ACE O 1 1
16 3577 1 1 2 TRP C C -6.836 3.035 4.911 1.00 . A A . 2 TRP C 1 1
16 3578 1 1 2 TRP CA C -7.805 4.158 4.534 1.00 . A A . 2 TRP CA 1 1
16 3579 1 1 2 TRP CB C -7.541 5.457 5.298 1.00 . A A . 2 TRP CB 1 1
16 3580 1 1 2 TRP CD1 C -5.401 6.015 6.629 1.00 . A A . 2 TRP CD1 1 1
16 3581 1 1 2 TRP CD2 C -5.064 5.890 4.442 1.00 . A A . 2 TRP CD2 1 1
16 3582 1 1 2 TRP CE2 C -3.852 6.192 5.030 1.00 . A A . 2 TRP CE2 1 1
16 3583 1 1 2 TRP CE3 C -5.186 5.742 3.050 1.00 . A A . 2 TRP CE3 1 1
16 3584 1 1 2 TRP CG C -6.057 5.779 5.484 1.00 . A A . 2 TRP CG 1 1
16 3585 1 1 2 TRP CH2 C -2.767 6.227 2.912 1.00 . A A . 2 TRP CH2 1 1
16 3586 1 1 2 TRP CZ2 C -2.670 6.370 4.302 1.00 . A A . 2 TRP CZ2 1 1
16 3587 1 1 2 TRP CZ3 C -3.995 5.923 2.335 1.00 . A A . 2 TRP CZ3 1 1
16 3588 1 1 2 TRP H H -9.633 4.118 5.533 1.00 . A A . 2 TRP H 1 1
16 3589 1 1 2 TRP HA H -7.712 4.389 3.473 1.00 . A A . 2 TRP HA 1 1
16 3590 1 1 2 TRP HB2 H -8.017 6.282 4.767 1.00 . A A . 2 TRP HB2 1 1
16 3591 1 1 2 TRP HB3 H -8.014 5.394 6.277 1.00 . A A . 2 TRP HB3 1 1
16 3592 1 1 2 TRP HD1 H -5.866 6.008 7.614 1.00 . A A . 2 TRP HD1 1 1
16 3593 1 1 2 TRP HE1 H -3.312 6.492 7.159 1.00 . A A . 2 TRP HE1 1 1
16 3594 1 1 2 TRP HE3 H -6.130 5.504 2.561 1.00 . A A . 2 TRP HE3 1 1
16 3595 1 1 2 TRP HH2 H -1.885 6.353 2.287 1.00 . A A . 2 TRP HH2 1 1
16 3596 1 1 2 TRP HZ2 H -1.725 6.608 4.790 1.00 . A A . 2 TRP HZ2 1 1
16 3597 1 1 2 TRP HZ3 H -4.034 5.819 1.251 1.00 . A A . 2 TRP HZ3 1 1
16 3598 1 1 2 TRP N N -9.158 3.682 4.768 1.00 . A A . 2 TRP N 1 1
16 3599 1 1 2 TRP NE1 N -4.064 6.270 6.402 1.00 . A A . 2 TRP NE1 1 1
16 3600 1 1 2 TRP O O -5.816 2.843 4.252 1.00 . A A . 2 TRP O 1 1
16 3601 1 1 3 ILE C C -6.370 0.078 5.518 1.00 . A A . 3 ILE C 1 1
16 3602 1 1 3 ILE CA C -6.336 1.265 6.482 1.00 . A A . 3 ILE CA 1 1
16 3603 1 1 3 ILE CB C -6.728 0.905 7.916 1.00 . A A . 3 ILE CB 1 1
16 3604 1 1 3 ILE CD1 C -4.338 0.822 8.717 1.00 . A A . 3 ILE CD1 1 1
16 3605 1 1 3 ILE CG1 C -5.649 0.045 8.579 1.00 . A A . 3 ILE CG1 1 1
16 3606 1 1 3 ILE CG2 C -8.102 0.233 7.956 1.00 . A A . 3 ILE CG2 1 1
16 3607 1 1 3 ILE H H -8.043 2.458 6.476 1.00 . A A . 3 ILE H 1 1
16 3608 1 1 3 ILE HA H -5.318 1.654 6.513 1.00 . A A . 3 ILE HA 1 1
16 3609 1 1 3 ILE HB H -6.804 1.827 8.491 1.00 . A A . 3 ILE HB 1 1
16 3610 1 1 3 ILE HD11 H -4.556 1.877 8.883 1.00 . A A . 3 ILE HD11 1 1
16 3611 1 1 3 ILE HD12 H -3.771 0.430 9.563 1.00 . A A . 3 ILE HD12 1 1
16 3612 1 1 3 ILE HD13 H -3.753 0.710 7.805 1.00 . A A . 3 ILE HD13 1 1
16 3613 1 1 3 ILE HG12 H -5.991 -0.277 9.563 1.00 . A A . 3 ILE HG12 1 1
16 3614 1 1 3 ILE HG13 H -5.483 -0.856 7.989 1.00 . A A . 3 ILE HG13 1 1
16 3615 1 1 3 ILE HG21 H -8.358 -0.007 8.988 1.00 . A A . 3 ILE HG21 1 1
16 3616 1 1 3 ILE HG22 H -8.850 0.910 7.544 1.00 . A A . 3 ILE HG22 1 1
16 3617 1 1 3 ILE HG23 H -8.075 -0.683 7.367 1.00 . A A . 3 ILE HG23 1 1
16 3618 1 1 3 ILE N N -7.191 2.323 5.970 1.00 . A A . 3 ILE N 1 1
16 3619 1 1 3 ILE O O -5.430 -0.715 5.469 1.00 . A A . 3 ILE O 1 1
16 3620 1 1 4 GLN C C -6.745 -0.588 2.506 1.00 . A A . 4 GLN C 1 1
16 3621 1 1 4 GLN CA C -7.576 -1.004 3.722 1.00 . A A . 4 GLN CA 1 1
16 3622 1 1 4 GLN CB C -9.039 -1.230 3.335 1.00 . A A . 4 GLN CB 1 1
16 3623 1 1 4 GLN CD C -11.178 -2.412 3.956 1.00 . A A . 4 GLN CD 1 1
16 3624 1 1 4 GLN CG C -9.668 -2.334 4.188 1.00 . A A . 4 GLN CG 1 1
16 3625 1 1 4 GLN H H -8.261 0.585 4.881 1.00 . A A . 4 GLN H 1 1
16 3626 1 1 4 GLN HA H -7.174 -1.923 4.148 1.00 . A A . 4 GLN HA 1 1
16 3627 1 1 4 GLN HB2 H -9.600 -0.304 3.461 1.00 . A A . 4 GLN HB2 1 1
16 3628 1 1 4 GLN HB3 H -9.103 -1.499 2.280 1.00 . A A . 4 GLN HB3 1 1
16 3629 1 1 4 GLN HE21 H -11.312 -3.647 5.554 1.00 . A A . 4 GLN HE21 1 1
16 3630 1 1 4 GLN HE22 H -12.811 -3.298 4.760 1.00 . A A . 4 GLN HE22 1 1
16 3631 1 1 4 GLN HG2 H -9.209 -3.292 3.946 1.00 . A A . 4 GLN HG2 1 1
16 3632 1 1 4 GLN HG3 H -9.468 -2.142 5.242 1.00 . A A . 4 GLN HG3 1 1
16 3633 1 1 4 GLN N N -7.463 -0.009 4.775 1.00 . A A . 4 GLN N 1 1
16 3634 1 1 4 GLN NE2 N -11.820 -3.183 4.828 1.00 . A A . 4 GLN NE2 1 1
16 3635 1 1 4 GLN O O -5.922 -1.360 2.019 1.00 . A A . 4 GLN O 1 1
16 3636 1 1 4 GLN OE1 O -11.724 -1.813 3.044 1.00 . A A . 4 GLN OE1 1 1
16 3637 1 1 5 . C C -4.676 1.028 1.229 1.00 . A A . 5 DIV C 1 1
16 3638 1 1 5 . CA C -6.176 1.217 0.999 1.00 . A A . 5 DIV CA 1 1
16 3639 1 1 5 . CB1 C -6.534 0.576 -0.343 1.00 . A A . 5 DIV CB1 1 1
16 3640 1 1 5 . CB2 C -6.464 2.718 0.958 1.00 . A A . 5 DIV CB2 1 1
16 3641 1 1 5 . CG1 C -7.983 0.833 -0.761 1.00 . A A . 5 DIV CG1 1 1
16 3642 1 1 5 . H H -7.726 1.218 2.393 1.00 . A A . 5 DIV H 1 1
16 3643 1 1 5 . HB11 H -6.393 -0.502 -0.280 1.00 . A A . 5 DIV HB11 1 1
16 3644 1 1 5 . HB12 H -5.888 0.980 -1.122 1.00 . A A . 5 DIV HB12 1 1
16 3645 1 1 5 . HB21 H -6.054 3.189 1.851 1.00 . A A . 5 DIV HB21 1 1
16 3646 1 1 5 . HB22 H -5.997 3.151 0.073 1.00 . A A . 5 DIV HB22 1 1
16 3647 1 1 5 . HB23 H -7.541 2.880 0.919 1.00 . A A . 5 DIV HB23 1 1
16 3648 1 1 5 . HG11 H -8.238 0.192 -1.604 1.00 . A A . 5 DIV HG11 1 1
16 3649 1 1 5 . HG12 H -8.647 0.614 0.076 1.00 . A A . 5 DIV HG12 1 1
16 3650 1 1 5 . HG13 H -8.099 1.876 -1.053 1.00 . A A . 5 DIV HG13 1 1
16 3651 1 1 5 . N N -6.989 0.633 2.053 1.00 . A A . 5 DIV N 1 1
16 3652 1 1 5 . O O -3.952 0.615 0.323 1.00 . A A . 5 DIV O 1 1
16 3653 1 1 6 ILE C C -2.260 -0.005 2.816 1.00 . A A . 6 ILE C 1 1
16 3654 1 1 6 ILE CA C -2.833 1.412 2.747 1.00 . A A . 6 ILE CA 1 1
16 3655 1 1 6 ILE CB C -2.596 2.233 4.015 1.00 . A A . 6 ILE CB 1 1
16 3656 1 1 6 ILE CD1 C -0.963 3.681 5.279 1.00 . A A . 6 ILE CD1 1 1
16 3657 1 1 6 ILE CG1 C -1.220 2.902 3.987 1.00 . A A . 6 ILE CG1 1 1
16 3658 1 1 6 ILE CG2 C -2.791 1.377 5.268 1.00 . A A . 6 ILE CG2 1 1
16 3659 1 1 6 ILE H H -4.859 1.543 3.213 1.00 . A A . 6 ILE H 1 1
16 3660 1 1 6 ILE HA H -2.349 1.941 1.926 1.00 . A A . 6 ILE HA 1 1
16 3661 1 1 6 ILE HB H -3.340 3.029 4.051 1.00 . A A . 6 ILE HB 1 1
16 3662 1 1 6 ILE HD11 H -0.168 4.410 5.111 1.00 . A A . 6 ILE HD11 1 1
16 3663 1 1 6 ILE HD12 H -1.873 4.199 5.578 1.00 . A A . 6 ILE HD12 1 1
16 3664 1 1 6 ILE HD13 H -0.661 2.990 6.066 1.00 . A A . 6 ILE HD13 1 1
16 3665 1 1 6 ILE HG12 H -0.447 2.146 3.854 1.00 . A A . 6 ILE HG12 1 1
16 3666 1 1 6 ILE HG13 H -1.158 3.577 3.132 1.00 . A A . 6 ILE HG13 1 1
16 3667 1 1 6 ILE HG21 H -2.860 2.022 6.143 1.00 . A A . 6 ILE HG21 1 1
16 3668 1 1 6 ILE HG22 H -3.709 0.797 5.172 1.00 . A A . 6 ILE HG22 1 1
16 3669 1 1 6 ILE HG23 H -1.944 0.700 5.381 1.00 . A A . 6 ILE HG23 1 1
16 3670 1 1 6 ILE N N -4.252 1.341 2.444 1.00 . A A . 6 ILE N 1 1
16 3671 1 1 6 ILE O O -1.105 -0.230 2.456 1.00 . A A . 6 ILE O 1 1
16 3672 1 1 7 THR C C -2.531 -2.933 1.996 1.00 . A A . 7 THR C 1 1
16 3673 1 1 7 THR CA C -2.688 -2.316 3.388 1.00 . A A . 7 THR CA 1 1
16 3674 1 1 7 THR CB C -3.714 -3.041 4.262 1.00 . A A . 7 THR CB 1 1
16 3675 1 1 7 THR CG2 C -3.455 -4.546 4.341 1.00 . A A . 7 THR CG2 1 1
16 3676 1 1 7 THR H H -4.027 -0.731 3.581 1.00 . A A . 7 THR H 1 1
16 3677 1 1 7 THR HA H -1.710 -2.354 3.866 1.00 . A A . 7 THR HA 1 1
16 3678 1 1 7 THR HB H -4.729 -2.837 3.921 1.00 . A A . 7 THR HB 1 1
16 3679 1 1 7 THR HG1 H -4.025 -1.791 5.793 1.00 . A A . 7 THR HG1 1 1
16 3680 1 1 7 THR HG21 H -2.423 -4.723 4.648 1.00 . A A . 7 THR HG21 1 1
16 3681 1 1 7 THR HG22 H -4.132 -4.994 5.068 1.00 . A A . 7 THR HG22 1 1
16 3682 1 1 7 THR HG23 H -3.624 -4.996 3.362 1.00 . A A . 7 THR HG23 1 1
16 3683 1 1 7 THR N N -3.093 -0.924 3.281 1.00 . A A . 7 THR N 1 1
16 3684 1 1 7 THR O O -1.594 -3.693 1.752 1.00 . A A . 7 THR O 1 1
16 3685 1 1 7 THR OG1 O -3.439 -2.572 5.579 1.00 . A A . 7 THR OG1 1 1
16 3686 1 1 8 ABA C C -2.205 -2.473 -1.023 1.00 . A A . 8 AIB C 1 1
16 3687 1 1 8 ABA CA C -3.402 -3.041 -0.258 1.00 . A A . 8 AIB CA 1 1
16 3688 1 1 8 ABA H H -4.245 -2.003 1.339 1.00 . A A . 8 AIB H 1 1
16 3689 1 1 8 ABA N N -3.462 -2.584 1.121 1.00 . A A . 8 AIB N 1 1
16 3690 1 1 8 ABA O O -1.605 -3.162 -1.847 1.00 . A A . 8 AIB O 1 1
16 3691 1 1 9 LEU C C 0.502 -0.808 -0.837 1.00 . A A . 9 LEU C 1 1
16 3692 1 1 9 LEU CA C -0.863 -0.509 -1.461 1.00 . A A . 9 LEU CA 1 1
16 3693 1 1 9 LEU CB C -1.190 0.984 -1.535 1.00 . A A . 9 LEU CB 1 1
16 3694 1 1 9 LEU CD1 C -2.903 2.771 -2.016 1.00 . A A . 9 LEU CD1 1 1
16 3695 1 1 9 LEU CD2 C -2.154 1.194 -3.856 1.00 . A A . 9 LEU CD2 1 1
16 3696 1 1 9 LEU CG C -2.424 1.359 -2.360 1.00 . A A . 9 LEU CG 1 1
16 3697 1 1 9 LEU H H -2.331 -0.694 0.005 1.00 . A A . 9 LEU H 1 1
16 3698 1 1 9 LEU HA H -0.867 -0.891 -2.482 1.00 . A A . 9 LEU HA 1 1
16 3699 1 1 9 LEU HB2 H -1.330 1.356 -0.520 1.00 . A A . 9 LEU HB2 1 1
16 3700 1 1 9 LEU HB3 H -0.328 1.505 -1.951 1.00 . A A . 9 LEU HB3 1 1
16 3701 1 1 9 LEU HD11 H -2.113 3.488 -2.238 1.00 . A A . 9 LEU HD11 1 1
16 3702 1 1 9 LEU HD12 H -3.787 3.009 -2.609 1.00 . A A . 9 LEU HD12 1 1
16 3703 1 1 9 LEU HD13 H -3.153 2.822 -0.957 1.00 . A A . 9 LEU HD13 1 1
16 3704 1 1 9 LEU HD21 H -1.261 1.755 -4.129 1.00 . A A . 9 LEU HD21 1 1
16 3705 1 1 9 LEU HD22 H -2.004 0.138 -4.083 1.00 . A A . 9 LEU HD22 1 1
16 3706 1 1 9 LEU HD23 H -3.007 1.569 -4.423 1.00 . A A . 9 LEU HD23 1 1
16 3707 1 1 9 LEU HG H -3.230 0.673 -2.100 1.00 . A A . 9 LEU HG 1 1
16 3708 1 1 9 LEU N N -1.893 -1.220 -0.724 1.00 . A A . 9 LEU N 1 1
16 3709 1 1 9 LEU O O 1.531 -0.696 -1.503 1.00 . A A . 9 LEU O 1 1
16 3710 1 1 10 ABA C C 2.814 -2.004 0.498 1.00 . A A . 10 AIB C 1 1
16 3711 1 1 10 ABA CA C 1.685 -1.268 1.221 1.00 . A A . 10 AIB CA 1 1
16 3712 1 1 10 ABA H H -0.371 -1.425 0.922 1.00 . A A . 10 AIB H 1 1
16 3713 1 1 10 ABA N N 0.467 -1.182 0.433 1.00 . A A . 10 AIB N 1 1
16 3714 1 1 10 ABA O O 3.913 -1.471 0.349 1.00 . A A . 10 AIB O 1 1
16 3715 1 1 11 HYP C C 3.920 -3.701 -1.896 1.00 . A A . 11 HYP C 1 1
16 3716 1 1 11 HYP CA C 3.516 -4.134 -0.485 1.00 . A A . 11 HYP CA 1 1
16 3717 1 1 11 HYP CB C 2.895 -5.521 -0.446 1.00 . A A . 11 HYP CB 1 1
16 3718 1 1 11 HYP CD C 1.167 -3.851 0.065 1.00 . A A . 11 HYP CD 1 1
16 3719 1 1 11 HYP CG C 1.397 -5.304 -0.319 1.00 . A A . 11 HYP CG 1 1
16 3720 1 1 11 HYP HA H 4.422 -4.079 0.118 1.00 . A A . 11 HYP HA 1 1
16 3721 1 1 11 HYP HB2 H 3.134 -6.082 -1.349 1.00 . A A . 11 HYP HB2 1 1
16 3722 1 1 11 HYP HB3 H 3.280 -6.096 0.397 1.00 . A A . 11 HYP HB3 1 1
16 3723 1 1 11 HYP HD1 H -0.021 -6.003 1.000 1.00 . A A . 11 HYP HD1 1 1
16 3724 1 1 11 HYP HD22 H 0.505 -3.355 -0.644 1.00 . A A . 11 HYP HD22 1 1
16 3725 1 1 11 HYP HD23 H 0.701 -3.770 1.048 1.00 . A A . 11 HYP HD23 1 1
16 3726 1 1 11 HYP HG H 0.863 -5.576 -1.229 1.00 . A A . 11 HYP HG 1 1
16 3727 1 1 11 HYP N N 2.498 -3.251 0.058 1.00 . A A . 11 HYP N 1 1
16 3728 1 1 11 HYP O O 4.938 -4.153 -2.419 1.00 . A A . 11 HYP O 1 1
16 3729 1 1 11 HYP OD1 O 0.963 -6.111 0.857 1.00 . A A . 11 HYP OD1 1 1
16 3730 1 1 12 GLN C C 4.266 -1.259 -3.944 1.00 . A A . 12 GLN C 1 1
16 3731 1 1 12 GLN CA C 3.289 -2.433 -3.856 1.00 . A A . 12 GLN CA 1 1
16 3732 1 1 12 GLN CB C 1.951 -2.083 -4.510 1.00 . A A . 12 GLN CB 1 1
16 3733 1 1 12 GLN CD C -0.347 -2.925 -5.120 1.00 . A A . 12 GLN CD 1 1
16 3734 1 1 12 GLN CG C 1.002 -3.283 -4.491 1.00 . A A . 12 GLN CG 1 1
16 3735 1 1 12 GLN H H 2.328 -2.402 -2.008 1.00 . A A . 12 GLN H 1 1
16 3736 1 1 12 GLN HA H 3.713 -3.304 -4.354 1.00 . A A . 12 GLN HA 1 1
16 3737 1 1 12 GLN HB2 H 1.493 -1.245 -3.985 1.00 . A A . 12 GLN HB2 1 1
16 3738 1 1 12 GLN HB3 H 2.117 -1.763 -5.539 1.00 . A A . 12 GLN HB3 1 1
16 3739 1 1 12 GLN HE21 H -0.886 -4.870 -4.957 1.00 . A A . 12 GLN HE21 1 1
16 3740 1 1 12 GLN HE22 H -2.079 -3.826 -5.657 1.00 . A A . 12 GLN HE22 1 1
16 3741 1 1 12 GLN HG2 H 1.450 -4.115 -5.033 1.00 . A A . 12 GLN HG2 1 1
16 3742 1 1 12 GLN HG3 H 0.850 -3.616 -3.464 1.00 . A A . 12 GLN HG3 1 1
16 3743 1 1 12 GLN N N 3.104 -2.831 -2.471 1.00 . A A . 12 GLN N 1 1
16 3744 1 1 12 GLN NE2 N -1.172 -3.959 -5.256 1.00 . A A . 12 GLN NE2 1 1
16 3745 1 1 12 GLN O O 5.015 -1.140 -4.913 1.00 . A A . 12 GLN O 1 1
16 3746 1 1 12 GLN OE1 O -0.620 -1.785 -5.459 1.00 . A A . 12 GLN OE1 1 1
16 3747 1 1 13 ABA C C 6.378 0.758 -3.338 1.00 . A A . 13 AIB C 1 1
16 3748 1 1 13 ABA CA C 4.894 0.870 -2.982 1.00 . A A . 13 AIB CA 1 1
16 3749 1 1 13 ABA H H 3.750 -0.607 -2.061 1.00 . A A . 13 AIB H 1 1
16 3750 1 1 13 ABA N N 4.227 -0.419 -2.919 1.00 . A A . 13 AIB N 1 1
16 3751 1 1 13 ABA O O 6.853 1.428 -4.253 1.00 . A A . 13 AIB O 1 1
16 3752 1 1 14 HYP C C 9.032 -0.813 -3.906 1.00 . A A . 14 HYP C 1 1
16 3753 1 1 14 HYP CA C 8.538 -0.144 -2.622 1.00 . A A . 14 HYP CA 1 1
16 3754 1 1 14 HYP CB C 8.958 -0.889 -1.364 1.00 . A A . 14 HYP CB 1 1
16 3755 1 1 14 HYP CD C 6.526 -1.097 -1.648 1.00 . A A . 14 HYP CD 1 1
16 3756 1 1 14 HYP CG C 7.728 -1.652 -0.901 1.00 . A A . 14 HYP CG 1 1
16 3757 1 1 14 HYP HA H 8.933 0.872 -2.641 1.00 . A A . 14 HYP HA 1 1
16 3758 1 1 14 HYP HB2 H 9.785 -1.570 -1.572 1.00 . A A . 14 HYP HB2 1 1
16 3759 1 1 14 HYP HB3 H 9.302 -0.196 -0.597 1.00 . A A . 14 HYP HB3 1 1
16 3760 1 1 14 HYP HD1 H 6.722 -1.746 0.892 1.00 . A A . 14 HYP HD1 1 1
16 3761 1 1 14 HYP HD22 H 5.993 -1.883 -2.181 1.00 . A A . 14 HYP HD22 1 1
16 3762 1 1 14 HYP HD23 H 5.815 -0.634 -0.964 1.00 . A A . 14 HYP HD23 1 1
16 3763 1 1 14 HYP HG H 7.835 -2.728 -1.040 1.00 . A A . 14 HYP HG 1 1
16 3764 1 1 14 HYP N N 7.087 -0.115 -2.574 1.00 . A A . 14 HYP N 1 1
16 3765 1 1 14 HYP O O 10.142 -0.544 -4.362 1.00 . A A . 14 HYP O 1 1
16 3766 1 1 14 HYP OD1 O 7.528 -1.280 0.528 1.00 . A A . 14 HYP OD1 1 1
16 3767 1 1 15 ABA C C 9.552 -2.138 -6.476 1.00 . A A . 15 AIB C 1 1
16 3768 1 1 15 ABA CA C 8.642 -2.692 -5.378 1.00 . A A . 15 AIB CA 1 1
16 3769 1 1 15 ABA H H 7.199 -1.675 -4.273 1.00 . A A . 15 AIB H 1 1
16 3770 1 1 15 ABA N N 8.182 -1.671 -4.453 1.00 . A A . 15 AIB N 1 1
16 3771 1 1 15 ABA O O 10.676 -2.605 -6.652 1.00 . A A . 15 AIB O 1 1
16 3772 1 1 16 PRO C C 10.898 0.087 -8.230 1.00 . A A . 16 PRO C 1 1
16 3773 1 1 16 PRO CA C 9.614 -0.713 -8.466 1.00 . A A . 16 PRO CA 1 1
16 3774 1 1 16 PRO CB C 8.534 0.092 -9.170 1.00 . A A . 16 PRO CB 1 1
16 3775 1 1 16 PRO CD C 7.835 -0.342 -6.854 1.00 . A A . 16 PRO CD 1 1
16 3776 1 1 16 PRO CG C 7.543 0.496 -8.088 1.00 . A A . 16 PRO CG 1 1
16 3777 1 1 16 PRO HA H 9.885 -1.514 -9.000 1.00 . A A . 16 PRO HA 1 1
16 3778 1 1 16 PRO HB2 H 8.956 0.971 -9.658 1.00 . A A . 16 PRO HB2 1 1
16 3779 1 1 16 PRO HB3 H 8.046 -0.500 -9.944 1.00 . A A . 16 PRO HB3 1 1
16 3780 1 1 16 PRO HD2 H 8.022 0.287 -5.984 1.00 . A A . 16 PRO HD2 1 1
16 3781 1 1 16 PRO HD3 H 6.994 -0.988 -6.606 1.00 . A A . 16 PRO HD3 1 1
16 3782 1 1 16 PRO HG2 H 7.638 1.557 -7.860 1.00 . A A . 16 PRO HG2 1 1
16 3783 1 1 16 PRO HG3 H 6.520 0.333 -8.427 1.00 . A A . 16 PRO HG3 1 1
16 3784 1 1 16 PRO N N 9.018 -1.123 -7.206 1.00 . A A . 16 PRO N 1 1
16 3785 1 1 16 PRO O O 11.674 0.309 -9.158 1.00 . A A . 16 PRO O 1 1
16 3786 1 1 17 PHL C C 13.310 0.428 -5.951 1.00 . A A . 17 PHL C 1 1
16 3787 1 1 17 PHL CA C 12.240 1.293 -6.621 1.00 . A A . 17 PHL CA 1 1
16 3788 1 1 17 PHL CB C 11.762 2.354 -5.628 1.00 . A A . 17 PHL CB 1 1
16 3789 1 1 17 PHL CD1 C 10.771 4.052 -7.178 1.00 . A A . 17 PHL CD1 1 1
16 3790 1 1 17 PHL CD2 C 9.371 3.095 -5.543 1.00 . A A . 17 PHL CD2 1 1
16 3791 1 1 17 PHL CE1 C 9.685 4.836 -7.649 1.00 . A A . 17 PHL CE1 1 1
16 3792 1 1 17 PHL CE2 C 8.285 3.879 -6.014 1.00 . A A . 17 PHL CE2 1 1
16 3793 1 1 17 PHL CG C 10.592 3.199 -6.135 1.00 . A A . 17 PHL CG 1 1
16 3794 1 1 17 PHL CZ C 8.464 4.732 -7.056 1.00 . A A . 17 PHL CZ 1 1
16 3795 1 1 17 PHL H2 H 10.454 0.295 -6.231 1.00 . A A . 17 PHL H2 1 1
16 3796 1 1 17 PHL HA H 12.644 1.717 -7.542 1.00 . A A . 17 PHL HA 1 1
16 3797 1 1 17 PHL HB2 H 11.468 1.863 -4.700 1.00 . A A . 17 PHL HB2 1 1
16 3798 1 1 17 PHL HB3 H 12.596 3.014 -5.388 1.00 . A A . 17 PHL HB3 1 1
16 3799 1 1 17 PHL HC1 H 13.625 -0.350 -6.646 1.00 . A A . 17 PHL HC1 1 1
16 3800 1 1 17 PHL HC2 H 12.889 -0.023 -5.052 1.00 . A A . 17 PHL HC2 1 1
16 3801 1 1 17 PHL HD1 H 11.749 4.135 -7.653 1.00 . A A . 17 PHL HD1 1 1
16 3802 1 1 17 PHL HD2 H 9.228 2.410 -4.706 1.00 . A A . 17 PHL HD2 1 1
16 3803 1 1 17 PHL HE1 H 9.828 5.521 -8.485 1.00 . A A . 17 PHL HE1 1 1
16 3804 1 1 17 PHL HE2 H 7.308 3.796 -5.538 1.00 . A A . 17 PHL HE2 1 1
16 3805 1 1 17 PHL HO H 14.986 1.429 -6.391 1.00 . A A . 17 PHL HO 1 1
16 3806 1 1 17 PHL HZ H 7.630 5.334 -7.417 1.00 . A A . 17 PHL HZ 1 1
16 3807 1 1 17 PHL N N 11.081 0.497 -6.985 1.00 . A A . 17 PHL N 1 1
16 3808 1 1 17 PHL O O 14.456 1.189 -5.578 1.00 . A A . 17 PHL O 1 1
17 3809 1 1 1 ACE C C -9.670 2.932 4.024 1.00 . A A . 1 ACE C 1 1
17 3810 1 1 1 ACE CH3 C -11.071 2.479 4.250 1.00 . A A . 1 ACE CH3 1 1
17 3811 1 1 1 ACE H1 H -11.532 2.232 3.294 1.00 . A A . 1 ACE H1 1 1
17 3812 1 1 1 ACE H2 H -11.068 1.597 4.892 1.00 . A A . 1 ACE H2 1 1
17 3813 1 1 1 ACE H3 H -11.637 3.276 4.732 1.00 . A A . 1 ACE H3 1 1
17 3814 1 1 1 ACE O O -9.028 2.517 3.060 1.00 . A A . 1 ACE O 1 1
17 3815 1 1 2 TRP C C -6.928 3.001 5.076 1.00 . A A . 2 TRP C 1 1
17 3816 1 1 2 TRP CA C -7.821 4.230 4.891 1.00 . A A . 2 TRP CA 1 1
17 3817 1 1 2 TRP CB C -7.568 5.316 5.937 1.00 . A A . 2 TRP CB 1 1
17 3818 1 1 2 TRP CD1 C -8.943 7.497 5.812 1.00 . A A . 2 TRP CD1 1 1
17 3819 1 1 2 TRP CD2 C -7.142 7.522 4.522 1.00 . A A . 2 TRP CD2 1 1
17 3820 1 1 2 TRP CE2 C -7.781 8.736 4.363 1.00 . A A . 2 TRP CE2 1 1
17 3821 1 1 2 TRP CE3 C -5.955 7.224 3.831 1.00 . A A . 2 TRP CE3 1 1
17 3822 1 1 2 TRP CG C -7.902 6.731 5.460 1.00 . A A . 2 TRP CG 1 1
17 3823 1 1 2 TRP CH2 C -6.126 9.470 2.818 1.00 . A A . 2 TRP CH2 1 1
17 3824 1 1 2 TRP CZ2 C -7.308 9.747 3.517 1.00 . A A . 2 TRP CZ2 1 1
17 3825 1 1 2 TRP CZ3 C -5.496 8.244 2.990 1.00 . A A . 2 TRP CZ3 1 1
17 3826 1 1 2 TRP H H -9.756 4.176 5.662 1.00 . A A . 2 TRP H 1 1
17 3827 1 1 2 TRP HA H -7.639 4.681 3.915 1.00 . A A . 2 TRP HA 1 1
17 3828 1 1 2 TRP HB2 H -8.160 5.095 6.826 1.00 . A A . 2 TRP HB2 1 1
17 3829 1 1 2 TRP HB3 H -6.520 5.281 6.236 1.00 . A A . 2 TRP HB3 1 1
17 3830 1 1 2 TRP HD1 H -9.718 7.193 6.516 1.00 . A A . 2 TRP HD1 1 1
17 3831 1 1 2 TRP HE1 H -9.638 9.524 5.283 1.00 . A A . 2 TRP HE1 1 1
17 3832 1 1 2 TRP HE3 H -5.432 6.273 3.939 1.00 . A A . 2 TRP HE3 1 1
17 3833 1 1 2 TRP HH2 H -5.704 10.215 2.144 1.00 . A A . 2 TRP HH2 1 1
17 3834 1 1 2 TRP HZ2 H -7.831 10.696 3.409 1.00 . A A . 2 TRP HZ2 1 1
17 3835 1 1 2 TRP HZ3 H -4.578 8.065 2.430 1.00 . A A . 2 TRP HZ3 1 1
17 3836 1 1 2 TRP N N -9.205 3.788 4.923 1.00 . A A . 2 TRP N 1 1
17 3837 1 1 2 TRP NE1 N -8.911 8.720 5.173 1.00 . A A . 2 TRP NE1 1 1
17 3838 1 1 2 TRP O O -5.959 2.818 4.341 1.00 . A A . 2 TRP O 1 1
17 3839 1 1 3 ILE C C -6.452 0.061 5.232 1.00 . A A . 3 ILE C 1 1
17 3840 1 1 3 ILE CA C -6.479 1.036 6.411 1.00 . A A . 3 ILE CA 1 1
17 3841 1 1 3 ILE CB C -6.976 0.410 7.716 1.00 . A A . 3 ILE CB 1 1
17 3842 1 1 3 ILE CD1 C -4.650 0.118 8.645 1.00 . A A . 3 ILE CD1 1 1
17 3843 1 1 3 ILE CG1 C -5.955 -0.586 8.270 1.00 . A A . 3 ILE CG1 1 1
17 3844 1 1 3 ILE CG2 C -8.355 -0.226 7.528 1.00 . A A . 3 ILE CG2 1 1
17 3845 1 1 3 ILE H H -8.110 2.315 6.615 1.00 . A A . 3 ILE H 1 1
17 3846 1 1 3 ILE HA H -5.463 1.390 6.590 1.00 . A A . 3 ILE HA 1 1
17 3847 1 1 3 ILE HB H -7.085 1.204 8.455 1.00 . A A . 3 ILE HB 1 1
17 3848 1 1 3 ILE HD11 H -4.107 -0.485 9.372 1.00 . A A . 3 ILE HD11 1 1
17 3849 1 1 3 ILE HD12 H -4.038 0.249 7.752 1.00 . A A . 3 ILE HD12 1 1
17 3850 1 1 3 ILE HD13 H -4.874 1.093 9.078 1.00 . A A . 3 ILE HD13 1 1
17 3851 1 1 3 ILE HG12 H -6.368 -1.085 9.147 1.00 . A A . 3 ILE HG12 1 1
17 3852 1 1 3 ILE HG13 H -5.756 -1.359 7.528 1.00 . A A . 3 ILE HG13 1 1
17 3853 1 1 3 ILE HG21 H -8.723 -0.585 8.489 1.00 . A A . 3 ILE HG21 1 1
17 3854 1 1 3 ILE HG22 H -9.045 0.516 7.128 1.00 . A A . 3 ILE HG22 1 1
17 3855 1 1 3 ILE HG23 H -8.277 -1.063 6.833 1.00 . A A . 3 ILE HG23 1 1
17 3856 1 1 3 ILE N N -7.287 2.191 6.061 1.00 . A A . 3 ILE N 1 1
17 3857 1 1 3 ILE O O -5.475 -0.659 5.040 1.00 . A A . 3 ILE O 1 1
17 3858 1 1 4 GLN C C -6.747 -0.282 2.184 1.00 . A A . 4 GLN C 1 1
17 3859 1 1 4 GLN CA C -7.647 -0.794 3.311 1.00 . A A . 4 GLN CA 1 1
17 3860 1 1 4 GLN CB C -9.100 -0.905 2.844 1.00 . A A . 4 GLN CB 1 1
17 3861 1 1 4 GLN CD C -11.369 -1.876 3.365 1.00 . A A . 4 GLN CD 1 1
17 3862 1 1 4 GLN CG C -9.876 -1.906 3.703 1.00 . A A . 4 GLN CG 1 1
17 3863 1 1 4 GLN H H -8.334 0.653 4.643 1.00 . A A . 4 GLN H 1 1
17 3864 1 1 4 GLN HA H -7.303 -1.773 3.644 1.00 . A A . 4 GLN HA 1 1
17 3865 1 1 4 GLN HB2 H -9.579 0.073 2.897 1.00 . A A . 4 GLN HB2 1 1
17 3866 1 1 4 GLN HB3 H -9.128 -1.218 1.801 1.00 . A A . 4 GLN HB3 1 1
17 3867 1 1 4 GLN HE21 H -11.300 -3.882 3.097 1.00 . A A . 4 GLN HE21 1 1
17 3868 1 1 4 GLN HE22 H -12.851 -3.154 2.845 1.00 . A A . 4 GLN HE22 1 1
17 3869 1 1 4 GLN HG2 H -9.484 -2.910 3.542 1.00 . A A . 4 GLN HG2 1 1
17 3870 1 1 4 GLN HG3 H -9.734 -1.674 4.758 1.00 . A A . 4 GLN HG3 1 1
17 3871 1 1 4 GLN N N -7.539 0.071 4.474 1.00 . A A . 4 GLN N 1 1
17 3872 1 1 4 GLN NE2 N -11.882 -3.069 3.079 1.00 . A A . 4 GLN NE2 1 1
17 3873 1 1 4 GLN O O -5.928 -1.030 1.653 1.00 . A A . 4 GLN O 1 1
17 3874 1 1 4 GLN OE1 O -12.010 -0.840 3.364 1.00 . A A . 4 GLN OE1 1 1
17 3875 1 1 5 . C C -4.550 1.404 1.264 1.00 . A A . 5 DIV C 1 1
17 3876 1 1 5 . CA C -6.023 1.662 0.941 1.00 . A A . 5 DIV CA 1 1
17 3877 1 1 5 . CB1 C -6.282 1.187 -0.490 1.00 . A A . 5 DIV CB1 1 1
17 3878 1 1 5 . CB2 C -6.275 3.165 1.049 1.00 . A A . 5 DIV CB2 1 1
17 3879 1 1 5 . CG1 C -7.714 1.453 -0.957 1.00 . A A . 5 DIV CG1 1 1
17 3880 1 1 5 . H H -7.680 1.553 2.197 1.00 . A A . 5 DIV H 1 1
17 3881 1 1 5 . HB11 H -6.105 0.114 -0.553 1.00 . A A . 5 DIV HB11 1 1
17 3882 1 1 5 . HB12 H -5.608 1.705 -1.172 1.00 . A A . 5 DIV HB12 1 1
17 3883 1 1 5 . HB21 H -5.743 3.680 0.248 1.00 . A A . 5 DIV HB21 1 1
17 3884 1 1 5 . HB22 H -7.344 3.361 0.957 1.00 . A A . 5 DIV HB22 1 1
17 3885 1 1 5 . HB23 H -5.920 3.526 2.014 1.00 . A A . 5 DIV HB23 1 1
17 3886 1 1 5 . HG11 H -7.859 2.525 -1.093 1.00 . A A . 5 DIV HG11 1 1
17 3887 1 1 5 . HG12 H -7.890 0.941 -1.903 1.00 . A A . 5 DIV HG12 1 1
17 3888 1 1 5 . HG13 H -8.415 1.085 -0.209 1.00 . A A . 5 DIV HG13 1 1
17 3889 1 1 5 . N N -6.930 0.987 1.853 1.00 . A A . 5 DIV N 1 1
17 3890 1 1 5 . O O -3.758 1.100 0.374 1.00 . A A . 5 DIV O 1 1
17 3891 1 1 6 ILE C C -2.459 -0.124 2.743 1.00 . A A . 6 ILE C 1 1
17 3892 1 1 6 ILE CA C -2.861 1.331 2.995 1.00 . A A . 6 ILE CA 1 1
17 3893 1 1 6 ILE CB C -2.708 1.769 4.453 1.00 . A A . 6 ILE CB 1 1
17 3894 1 1 6 ILE CD1 C -3.151 3.745 5.955 1.00 . A A . 6 ILE CD1 1 1
17 3895 1 1 6 ILE CG1 C -2.687 3.294 4.568 1.00 . A A . 6 ILE CG1 1 1
17 3896 1 1 6 ILE CG2 C -1.472 1.129 5.089 1.00 . A A . 6 ILE CG2 1 1
17 3897 1 1 6 ILE H H -4.878 1.779 3.261 1.00 . A A . 6 ILE H 1 1
17 3898 1 1 6 ILE HA H -2.218 1.976 2.395 1.00 . A A . 6 ILE HA 1 1
17 3899 1 1 6 ILE HB H -3.576 1.415 5.008 1.00 . A A . 6 ILE HB 1 1
17 3900 1 1 6 ILE HD11 H -4.192 3.456 6.101 1.00 . A A . 6 ILE HD11 1 1
17 3901 1 1 6 ILE HD12 H -2.532 3.271 6.717 1.00 . A A . 6 ILE HD12 1 1
17 3902 1 1 6 ILE HD13 H -3.059 4.828 6.034 1.00 . A A . 6 ILE HD13 1 1
17 3903 1 1 6 ILE HG12 H -1.679 3.663 4.380 1.00 . A A . 6 ILE HG12 1 1
17 3904 1 1 6 ILE HG13 H -3.333 3.729 3.806 1.00 . A A . 6 ILE HG13 1 1
17 3905 1 1 6 ILE HG21 H -1.277 1.598 6.054 1.00 . A A . 6 ILE HG21 1 1
17 3906 1 1 6 ILE HG22 H -1.648 0.063 5.234 1.00 . A A . 6 ILE HG22 1 1
17 3907 1 1 6 ILE HG23 H -0.612 1.270 4.436 1.00 . A A . 6 ILE HG23 1 1
17 3908 1 1 6 ILE N N -4.227 1.537 2.543 1.00 . A A . 6 ILE N 1 1
17 3909 1 1 6 ILE O O -1.515 -0.391 2.001 1.00 . A A . 6 ILE O 1 1
17 3910 1 1 7 THR C C -2.600 -2.940 1.968 1.00 . A A . 7 THR C 1 1
17 3911 1 1 7 THR CA C -2.811 -2.426 3.393 1.00 . A A . 7 THR CA 1 1
17 3912 1 1 7 THR CB C -3.881 -3.201 4.166 1.00 . A A . 7 THR CB 1 1
17 3913 1 1 7 THR CG2 C -3.565 -4.694 4.266 1.00 . A A . 7 THR CG2 1 1
17 3914 1 1 7 THR H H -4.040 -0.812 3.867 1.00 . A A . 7 THR H 1 1
17 3915 1 1 7 THR HA H -1.855 -2.513 3.909 1.00 . A A . 7 THR HA 1 1
17 3916 1 1 7 THR HB H -4.867 -3.040 3.732 1.00 . A A . 7 THR HB 1 1
17 3917 1 1 7 THR HG1 H -4.556 -2.990 6.038 1.00 . A A . 7 THR HG1 1 1
17 3918 1 1 7 THR HG21 H -2.587 -4.829 4.731 1.00 . A A . 7 THR HG21 1 1
17 3919 1 1 7 THR HG22 H -4.324 -5.186 4.873 1.00 . A A . 7 THR HG22 1 1
17 3920 1 1 7 THR HG23 H -3.556 -5.132 3.268 1.00 . A A . 7 THR HG23 1 1
17 3921 1 1 7 THR N N -3.196 -1.026 3.375 1.00 . A A . 7 THR N 1 1
17 3922 1 1 7 THR O O -1.646 -3.670 1.701 1.00 . A A . 7 THR O 1 1
17 3923 1 1 7 THR OG1 O -3.753 -2.727 5.504 1.00 . A A . 7 THR OG1 1 1
17 3924 1 1 8 ABA C C -2.217 -2.486 -1.039 1.00 . A A . 8 AIB C 1 1
17 3925 1 1 8 ABA CA C -3.457 -2.985 -0.294 1.00 . A A . 8 AIB CA 1 1
17 3926 1 1 8 ABA H H -4.261 -1.921 1.306 1.00 . A A . 8 AIB H 1 1
17 3927 1 1 8 ABA N N -3.505 -2.539 1.088 1.00 . A A . 8 AIB N 1 1
17 3928 1 1 8 ABA O O -1.646 -3.208 -1.855 1.00 . A A . 8 AIB O 1 1
17 3929 1 1 9 LEU C C 0.578 -0.967 -0.816 1.00 . A A . 9 LEU C 1 1
17 3930 1 1 9 LEU CA C -0.762 -0.600 -1.458 1.00 . A A . 9 LEU CA 1 1
17 3931 1 1 9 LEU CB C -1.011 0.907 -1.541 1.00 . A A . 9 LEU CB 1 1
17 3932 1 1 9 LEU CD1 C -2.574 2.810 -2.086 1.00 . A A . 9 LEU CD1 1 1
17 3933 1 1 9 LEU CD2 C -2.043 1.055 -3.837 1.00 . A A . 9 LEU CD2 1 1
17 3934 1 1 9 LEU CG C -2.237 1.341 -2.348 1.00 . A A . 9 LEU CG 1 1
17 3935 1 1 9 LEU H H -2.251 -0.707 -0.005 1.00 . A A . 9 LEU H 1 1
17 3936 1 1 9 LEU HA H -0.774 -0.985 -2.477 1.00 . A A . 9 LEU HA 1 1
17 3937 1 1 9 LEU HB2 H -1.112 1.296 -0.528 1.00 . A A . 9 LEU HB2 1 1
17 3938 1 1 9 LEU HB3 H -0.130 1.378 -1.977 1.00 . A A . 9 LEU HB3 1 1
17 3939 1 1 9 LEU HD11 H -2.462 3.025 -1.022 1.00 . A A . 9 LEU HD11 1 1
17 3940 1 1 9 LEU HD12 H -1.898 3.446 -2.657 1.00 . A A . 9 LEU HD12 1 1
17 3941 1 1 9 LEU HD13 H -3.603 3.007 -2.389 1.00 . A A . 9 LEU HD13 1 1
17 3942 1 1 9 LEU HD21 H -2.850 1.517 -4.405 1.00 . A A . 9 LEU HD21 1 1
17 3943 1 1 9 LEU HD22 H -1.088 1.464 -4.165 1.00 . A A . 9 LEU HD22 1 1
17 3944 1 1 9 LEU HD23 H -2.052 -0.023 -4.004 1.00 . A A . 9 LEU HD23 1 1
17 3945 1 1 9 LEU HG H -3.091 0.751 -2.015 1.00 . A A . 9 LEU HG 1 1
17 3946 1 1 9 LEU N N -1.837 -1.255 -0.732 1.00 . A A . 9 LEU N 1 1
17 3947 1 1 9 LEU O O 1.625 -0.864 -1.453 1.00 . A A . 9 LEU O 1 1
17 3948 1 1 10 ABA C C 2.841 -2.220 0.581 1.00 . A A . 10 AIB C 1 1
17 3949 1 1 10 ABA CA C 1.688 -1.487 1.268 1.00 . A A . 10 AIB CA 1 1
17 3950 1 1 10 ABA H H -0.352 -1.662 0.885 1.00 . A A . 10 AIB H 1 1
17 3951 1 1 10 ABA N N 0.500 -1.389 0.437 1.00 . A A . 10 AIB N 1 1
17 3952 1 1 10 ABA O O 3.949 -1.693 0.487 1.00 . A A . 10 AIB O 1 1
17 3953 1 1 11 HYP C C 4.071 -3.908 -1.759 1.00 . A A . 11 HYP C 1 1
17 3954 1 1 11 HYP CA C 3.569 -4.350 -0.383 1.00 . A A . 11 HYP CA 1 1
17 3955 1 1 11 HYP CB C 2.925 -5.727 -0.401 1.00 . A A . 11 HYP CB 1 1
17 3956 1 1 11 HYP CD C 1.194 -4.033 0.018 1.00 . A A . 11 HYP CD 1 1
17 3957 1 1 11 HYP CG C 1.423 -5.485 -0.368 1.00 . A A . 11 HYP CG 1 1
17 3958 1 1 11 HYP HA H 4.434 -4.317 0.278 1.00 . A A . 11 HYP HA 1 1
17 3959 1 1 11 HYP HB2 H 3.211 -6.280 -1.295 1.00 . A A . 11 HYP HB2 1 1
17 3960 1 1 11 HYP HB3 H 3.244 -6.318 0.457 1.00 . A A . 11 HYP HB3 1 1
17 3961 1 1 11 HYP HD1 H 1.126 -7.261 0.627 1.00 . A A . 11 HYP HD1 1 1
17 3962 1 1 11 HYP HD22 H 0.588 -3.516 -0.726 1.00 . A A . 11 HYP HD22 1 1
17 3963 1 1 11 HYP HD23 H 0.667 -3.954 0.969 1.00 . A A . 11 HYP HD23 1 1
17 3964 1 1 11 HYP HG H 0.946 -5.737 -1.314 1.00 . A A . 11 HYP HG 1 1
17 3965 1 1 11 HYP N N 2.533 -3.456 0.104 1.00 . A A . 11 HYP N 1 1
17 3966 1 1 11 HYP O O 5.134 -4.340 -2.204 1.00 . A A . 11 HYP O 1 1
17 3967 1 1 11 HYP OD1 O 0.901 -6.297 0.766 1.00 . A A . 11 HYP OD1 1 1
17 3968 1 1 12 GLN C C 4.496 -1.451 -3.796 1.00 . A A . 12 GLN C 1 1
17 3969 1 1 12 GLN CA C 3.558 -2.660 -3.767 1.00 . A A . 12 GLN CA 1 1
17 3970 1 1 12 GLN CB C 2.260 -2.365 -4.522 1.00 . A A . 12 GLN CB 1 1
17 3971 1 1 12 GLN CD C 0.077 -3.319 -5.349 1.00 . A A . 12 GLN CD 1 1
17 3972 1 1 12 GLN CG C 1.343 -3.590 -4.533 1.00 . A A . 12 GLN CG 1 1
17 3973 1 1 12 GLN H H 2.474 -2.630 -1.988 1.00 . A A . 12 GLN H 1 1
17 3974 1 1 12 GLN HA H 4.049 -3.520 -4.221 1.00 . A A . 12 GLN HA 1 1
17 3975 1 1 12 GLN HB2 H 1.747 -1.525 -4.054 1.00 . A A . 12 GLN HB2 1 1
17 3976 1 1 12 GLN HB3 H 2.490 -2.069 -5.545 1.00 . A A . 12 GLN HB3 1 1
17 3977 1 1 12 GLN HE21 H -0.963 -3.223 -3.615 1.00 . A A . 12 GLN HE21 1 1
17 3978 1 1 12 GLN HE22 H -1.897 -2.978 -5.053 1.00 . A A . 12 GLN HE22 1 1
17 3979 1 1 12 GLN HG2 H 1.875 -4.443 -4.955 1.00 . A A . 12 GLN HG2 1 1
17 3980 1 1 12 GLN HG3 H 1.072 -3.856 -3.512 1.00 . A A . 12 GLN HG3 1 1
17 3981 1 1 12 GLN N N 3.284 -3.052 -2.394 1.00 . A A . 12 GLN N 1 1
17 3982 1 1 12 GLN NE2 N -1.018 -3.160 -4.611 1.00 . A A . 12 GLN NE2 1 1
17 3983 1 1 12 GLN O O 5.283 -1.295 -4.729 1.00 . A A . 12 GLN O 1 1
17 3984 1 1 12 GLN OE1 O 0.093 -3.256 -6.568 1.00 . A A . 12 GLN OE1 1 1
17 3985 1 1 13 ABA C C 6.447 0.696 -3.181 1.00 . A A . 13 AIB C 1 1
17 3986 1 1 13 ABA CA C 4.965 0.702 -2.801 1.00 . A A . 13 AIB CA 1 1
17 3987 1 1 13 ABA H H 3.903 -0.857 -1.918 1.00 . A A . 13 AIB H 1 1
17 3988 1 1 13 ABA N N 4.382 -0.628 -2.765 1.00 . A A . 13 AIB N 1 1
17 3989 1 1 13 ABA O O 6.867 1.432 -4.073 1.00 . A A . 13 AIB O 1 1
17 3990 1 1 14 HYP C C 9.169 -0.705 -3.865 1.00 . A A . 14 HYP C 1 1
17 3991 1 1 14 HYP CA C 8.669 -0.114 -2.545 1.00 . A A . 14 HYP CA 1 1
17 3992 1 1 14 HYP CB C 9.157 -0.883 -1.328 1.00 . A A . 14 HYP CB 1 1
17 3993 1 1 14 HYP CD C 6.733 -1.212 -1.571 1.00 . A A . 14 HYP CD 1 1
17 3994 1 1 14 HYP CG C 7.980 -1.729 -0.870 1.00 . A A . 14 HYP CG 1 1
17 3995 1 1 14 HYP HA H 9.008 0.921 -2.532 1.00 . A A . 14 HYP HA 1 1
17 3996 1 1 14 HYP HB2 H 10.013 -1.508 -1.578 1.00 . A A . 14 HYP HB2 1 1
17 3997 1 1 14 HYP HB3 H 9.478 -0.202 -0.539 1.00 . A A . 14 HYP HB3 1 1
17 3998 1 1 14 HYP HD1 H 7.613 -0.448 0.698 1.00 . A A . 14 HYP HD1 1 1
17 3999 1 1 14 HYP HD22 H 6.231 -2.006 -2.123 1.00 . A A . 14 HYP HD22 1 1
17 4000 1 1 14 HYP HD23 H 6.012 -0.816 -0.855 1.00 . A A . 14 HYP HD23 1 1
17 4001 1 1 14 HYP HG H 8.141 -2.791 -1.054 1.00 . A A . 14 HYP HG 1 1
17 4002 1 1 14 HYP N N 7.219 -0.167 -2.467 1.00 . A A . 14 HYP N 1 1
17 4003 1 1 14 HYP O O 10.166 -0.245 -4.417 1.00 . A A . 14 HYP O 1 1
17 4004 1 1 14 HYP OD1 O 7.792 -1.424 0.576 1.00 . A A . 14 HYP OD1 1 1
17 4005 1 1 15 ABA C C 9.749 -2.137 -6.413 1.00 . A A . 15 AIB C 1 1
17 4006 1 1 15 ABA CA C 9.053 -2.728 -5.187 1.00 . A A . 15 AIB CA 1 1
17 4007 1 1 15 ABA H H 7.480 -1.851 -4.137 1.00 . A A . 15 AIB H 1 1
17 4008 1 1 15 ABA N N 8.452 -1.717 -4.333 1.00 . A A . 15 AIB N 1 1
17 4009 1 1 15 ABA O O 10.915 -2.430 -6.672 1.00 . A A . 15 AIB O 1 1
17 4010 1 1 16 PRO C C 10.529 0.136 -8.429 1.00 . A A . 16 PRO C 1 1
17 4011 1 1 16 PRO CA C 9.395 -0.890 -8.492 1.00 . A A . 16 PRO CA 1 1
17 4012 1 1 16 PRO CB C 8.135 -0.345 -9.143 1.00 . A A . 16 PRO CB 1 1
17 4013 1 1 16 PRO CD C 7.713 -0.702 -6.749 1.00 . A A . 16 PRO CD 1 1
17 4014 1 1 16 PRO CG C 7.179 -0.032 -8.004 1.00 . A A . 16 PRO CG 1 1
17 4015 1 1 16 PRO HA H 9.762 -1.674 -8.993 1.00 . A A . 16 PRO HA 1 1
17 4016 1 1 16 PRO HB2 H 8.353 0.550 -9.726 1.00 . A A . 16 PRO HB2 1 1
17 4017 1 1 16 PRO HB3 H 7.702 -1.074 -9.828 1.00 . A A . 16 PRO HB3 1 1
17 4018 1 1 16 PRO HD2 H 7.852 0.018 -5.943 1.00 . A A . 16 PRO HD2 1 1
17 4019 1 1 16 PRO HD3 H 7.024 -1.462 -6.381 1.00 . A A . 16 PRO HD3 1 1
17 4020 1 1 16 PRO HG2 H 7.099 1.045 -7.857 1.00 . A A . 16 PRO HG2 1 1
17 4021 1 1 16 PRO HG3 H 6.178 -0.397 -8.234 1.00 . A A . 16 PRO HG3 1 1
17 4022 1 1 16 PRO N N 8.985 -1.293 -7.157 1.00 . A A . 16 PRO N 1 1
17 4023 1 1 16 PRO O O 11.227 0.356 -9.418 1.00 . A A . 16 PRO O 1 1
17 4024 1 1 17 PHL C C 12.933 1.090 -6.346 1.00 . A A . 17 PHL C 1 1
17 4025 1 1 17 PHL CA C 11.727 1.719 -7.048 1.00 . A A . 17 PHL CA 1 1
17 4026 1 1 17 PHL CB C 11.144 2.813 -6.151 1.00 . A A . 17 PHL CB 1 1
17 4027 1 1 17 PHL CD1 C 9.780 4.137 -7.782 1.00 . A A . 17 PHL CD1 1 1
17 4028 1 1 17 PHL CD2 C 8.668 3.137 -5.962 1.00 . A A . 17 PHL CD2 1 1
17 4029 1 1 17 PHL CE1 C 8.547 4.667 -8.245 1.00 . A A . 17 PHL CE1 1 1
17 4030 1 1 17 PHL CE2 C 7.435 3.667 -6.425 1.00 . A A . 17 PHL CE2 1 1
17 4031 1 1 17 PHL CG C 9.815 3.384 -6.650 1.00 . A A . 17 PHL CG 1 1
17 4032 1 1 17 PHL CZ C 7.400 4.421 -7.556 1.00 . A A . 17 PHL CZ 1 1
17 4033 1 1 17 PHL H2 H 10.095 0.564 -6.463 1.00 . A A . 17 PHL H2 1 1
17 4034 1 1 17 PHL HA H 12.029 2.083 -8.029 1.00 . A A . 17 PHL HA 1 1
17 4035 1 1 17 PHL HB2 H 11.000 2.409 -5.149 1.00 . A A . 17 PHL HB2 1 1
17 4036 1 1 17 PHL HB3 H 11.868 3.624 -6.068 1.00 . A A . 17 PHL HB3 1 1
17 4037 1 1 17 PHL HC1 H 13.304 0.264 -6.953 1.00 . A A . 17 PHL HC1 1 1
17 4038 1 1 17 PHL HC2 H 12.622 0.723 -5.368 1.00 . A A . 17 PHL HC2 1 1
17 4039 1 1 17 PHL HD1 H 10.699 4.334 -8.333 1.00 . A A . 17 PHL HD1 1 1
17 4040 1 1 17 PHL HD2 H 8.696 2.534 -5.055 1.00 . A A . 17 PHL HD2 1 1
17 4041 1 1 17 PHL HE1 H 8.520 5.271 -9.152 1.00 . A A . 17 PHL HE1 1 1
17 4042 1 1 17 PHL HE2 H 6.515 3.470 -5.873 1.00 . A A . 17 PHL HE2 1 1
17 4043 1 1 17 PHL HO H 13.876 2.505 -5.294 1.00 . A A . 17 PHL HO 1 1
17 4044 1 1 17 PHL HZ H 6.453 4.828 -7.912 1.00 . A A . 17 PHL HZ 1 1
17 4045 1 1 17 PHL N N 10.676 0.737 -7.258 1.00 . A A . 17 PHL N 1 1
17 4046 1 1 17 PHL O O 13.991 2.026 -6.163 1.00 . A A . 17 PHL O 1 1
18 4047 1 1 1 ACE C C -9.716 2.817 3.971 1.00 . A A . 1 ACE C 1 1
18 4048 1 1 1 ACE CH3 C -11.084 2.341 4.322 1.00 . A A . 1 ACE CH3 1 1
18 4049 1 1 1 ACE H1 H -11.616 2.059 3.413 1.00 . A A . 1 ACE H1 1 1
18 4050 1 1 1 ACE H2 H -11.010 1.478 4.982 1.00 . A A . 1 ACE H2 1 1
18 4051 1 1 1 ACE H3 H -11.628 3.139 4.828 1.00 . A A . 1 ACE H3 1 1
18 4052 1 1 1 ACE O O -9.112 2.331 3.016 1.00 . A A . 1 ACE O 1 1
18 4053 1 1 2 TRP C C -6.895 3.206 4.882 1.00 . A A . 2 TRP C 1 1
18 4054 1 1 2 TRP CA C -7.903 4.308 4.550 1.00 . A A . 2 TRP CA 1 1
18 4055 1 1 2 TRP CB C -7.691 5.580 5.373 1.00 . A A . 2 TRP CB 1 1
18 4056 1 1 2 TRP CD1 C -5.973 6.713 3.815 1.00 . A A . 2 TRP CD1 1 1
18 4057 1 1 2 TRP CD2 C -5.407 6.807 5.955 1.00 . A A . 2 TRP CD2 1 1
18 4058 1 1 2 TRP CE2 C -4.415 7.442 5.238 1.00 . A A . 2 TRP CE2 1 1
18 4059 1 1 2 TRP CE3 C -5.344 6.696 7.355 1.00 . A A . 2 TRP CE3 1 1
18 4060 1 1 2 TRP CG C -6.409 6.340 5.026 1.00 . A A . 2 TRP CG 1 1
18 4061 1 1 2 TRP CH2 C -3.201 7.918 7.228 1.00 . A A . 2 TRP CH2 1 1
18 4062 1 1 2 TRP CZ2 C -3.286 8.016 5.835 1.00 . A A . 2 TRP CZ2 1 1
18 4063 1 1 2 TRP CZ3 C -4.209 7.275 7.937 1.00 . A A . 2 TRP CZ3 1 1
18 4064 1 1 2 TRP H H -9.745 4.178 5.514 1.00 . A A . 2 TRP H 1 1
18 4065 1 1 2 TRP HA H -7.814 4.591 3.501 1.00 . A A . 2 TRP HA 1 1
18 4066 1 1 2 TRP HB2 H -8.545 6.243 5.226 1.00 . A A . 2 TRP HB2 1 1
18 4067 1 1 2 TRP HB3 H -7.670 5.317 6.430 1.00 . A A . 2 TRP HB3 1 1
18 4068 1 1 2 TRP HD1 H -6.503 6.513 2.884 1.00 . A A . 2 TRP HD1 1 1
18 4069 1 1 2 TRP HE1 H -4.201 7.792 3.059 1.00 . A A . 2 TRP HE1 1 1
18 4070 1 1 2 TRP HE3 H -6.115 6.200 7.944 1.00 . A A . 2 TRP HE3 1 1
18 4071 1 1 2 TRP HH2 H -2.347 8.344 7.756 1.00 . A A . 2 TRP HH2 1 1
18 4072 1 1 2 TRP HZ2 H -2.515 8.513 5.245 1.00 . A A . 2 TRP HZ2 1 1
18 4073 1 1 2 TRP HZ3 H -4.110 7.217 9.021 1.00 . A A . 2 TRP HZ3 1 1
18 4074 1 1 2 TRP N N -9.238 3.773 4.754 1.00 . A A . 2 TRP N 1 1
18 4075 1 1 2 TRP NE1 N -4.769 7.384 3.895 1.00 . A A . 2 TRP NE1 1 1
18 4076 1 1 2 TRP O O -5.875 3.069 4.209 1.00 . A A . 2 TRP O 1 1
18 4077 1 1 3 ILE C C -6.316 0.260 5.355 1.00 . A A . 3 ILE C 1 1
18 4078 1 1 3 ILE CA C -6.329 1.395 6.382 1.00 . A A . 3 ILE CA 1 1
18 4079 1 1 3 ILE CB C -6.718 0.944 7.790 1.00 . A A . 3 ILE CB 1 1
18 4080 1 1 3 ILE CD1 C -4.365 0.554 8.610 1.00 . A A . 3 ILE CD1 1 1
18 4081 1 1 3 ILE CG1 C -5.725 -0.089 8.330 1.00 . A A . 3 ILE CG1 1 1
18 4082 1 1 3 ILE CG2 C -8.157 0.426 7.822 1.00 . A A . 3 ILE CG2 1 1
18 4083 1 1 3 ILE H H -8.064 2.547 6.444 1.00 . A A . 3 ILE H 1 1
18 4084 1 1 3 ILE HA H -5.325 1.816 6.443 1.00 . A A . 3 ILE HA 1 1
18 4085 1 1 3 ILE HB H -6.673 1.809 8.451 1.00 . A A . 3 ILE HB 1 1
18 4086 1 1 3 ILE HD11 H -4.500 1.429 9.245 1.00 . A A . 3 ILE HD11 1 1
18 4087 1 1 3 ILE HD12 H -3.721 -0.165 9.115 1.00 . A A . 3 ILE HD12 1 1
18 4088 1 1 3 ILE HD13 H -3.905 0.855 7.669 1.00 . A A . 3 ILE HD13 1 1
18 4089 1 1 3 ILE HG12 H -6.118 -0.531 9.245 1.00 . A A . 3 ILE HG12 1 1
18 4090 1 1 3 ILE HG13 H -5.608 -0.897 7.608 1.00 . A A . 3 ILE HG13 1 1
18 4091 1 1 3 ILE HG21 H -8.843 1.265 7.930 1.00 . A A . 3 ILE HG21 1 1
18 4092 1 1 3 ILE HG22 H -8.373 -0.105 6.895 1.00 . A A . 3 ILE HG22 1 1
18 4093 1 1 3 ILE HG23 H -8.280 -0.254 8.666 1.00 . A A . 3 ILE HG23 1 1
18 4094 1 1 3 ILE N N -7.216 2.449 5.921 1.00 . A A . 3 ILE N 1 1
18 4095 1 1 3 ILE O O -5.336 -0.477 5.251 1.00 . A A . 3 ILE O 1 1
18 4096 1 1 4 GLN C C -6.701 -0.400 2.346 1.00 . A A . 4 GLN C 1 1
18 4097 1 1 4 GLN CA C -7.518 -0.835 3.565 1.00 . A A . 4 GLN CA 1 1
18 4098 1 1 4 GLN CB C -8.979 -1.083 3.185 1.00 . A A . 4 GLN CB 1 1
18 4099 1 1 4 GLN CD C -11.190 -1.936 4.047 1.00 . A A . 4 GLN CD 1 1
18 4100 1 1 4 GLN CG C -9.671 -1.974 4.219 1.00 . A A . 4 GLN CG 1 1
18 4101 1 1 4 GLN H H -8.223 0.734 4.739 1.00 . A A . 4 GLN H 1 1
18 4102 1 1 4 GLN HA H -7.099 -1.750 3.983 1.00 . A A . 4 GLN HA 1 1
18 4103 1 1 4 GLN HB2 H -9.505 -0.131 3.111 1.00 . A A . 4 GLN HB2 1 1
18 4104 1 1 4 GLN HB3 H -9.030 -1.553 2.203 1.00 . A A . 4 GLN HB3 1 1
18 4105 1 1 4 GLN HE21 H -11.377 -2.286 6.032 1.00 . A A . 4 GLN HE21 1 1
18 4106 1 1 4 GLN HE22 H -12.868 -2.125 5.165 1.00 . A A . 4 GLN HE22 1 1
18 4107 1 1 4 GLN HG2 H -9.315 -2.999 4.116 1.00 . A A . 4 GLN HG2 1 1
18 4108 1 1 4 GLN HG3 H -9.407 -1.645 5.224 1.00 . A A . 4 GLN HG3 1 1
18 4109 1 1 4 GLN N N -7.414 0.157 4.621 1.00 . A A . 4 GLN N 1 1
18 4110 1 1 4 GLN NE2 N -11.867 -2.132 5.175 1.00 . A A . 4 GLN NE2 1 1
18 4111 1 1 4 GLN O O -5.902 -1.174 1.821 1.00 . A A . 4 GLN O 1 1
18 4112 1 1 4 GLN OE1 O -11.713 -1.743 2.962 1.00 . A A . 4 GLN OE1 1 1
18 4113 1 1 5 . C C -4.592 1.279 1.208 1.00 . A A . 5 DIV C 1 1
18 4114 1 1 5 . CA C -6.085 1.458 0.927 1.00 . A A . 5 DIV CA 1 1
18 4115 1 1 5 . CB1 C -6.383 0.853 -0.447 1.00 . A A . 5 DIV CB1 1 1
18 4116 1 1 5 . CB2 C -6.387 2.957 0.917 1.00 . A A . 5 DIV CB2 1 1
18 4117 1 1 5 . CG1 C -7.881 0.788 -0.758 1.00 . A A . 5 DIV CG1 1 1
18 4118 1 1 5 . H H -7.677 1.411 2.268 1.00 . A A . 5 DIV H 1 1
18 4119 1 1 5 . HB11 H -5.991 -0.162 -0.489 1.00 . A A . 5 DIV HB11 1 1
18 4120 1 1 5 . HB12 H -5.910 1.456 -1.220 1.00 . A A . 5 DIV HB12 1 1
18 4121 1 1 5 . HB21 H -5.999 3.410 1.829 1.00 . A A . 5 DIV HB21 1 1
18 4122 1 1 5 . HB22 H -5.907 3.418 0.052 1.00 . A A . 5 DIV HB22 1 1
18 4123 1 1 5 . HB23 H -7.464 3.111 0.861 1.00 . A A . 5 DIV HB23 1 1
18 4124 1 1 5 . HG11 H -8.324 1.773 -0.617 1.00 . A A . 5 DIV HG11 1 1
18 4125 1 1 5 . HG12 H -8.023 0.470 -1.791 1.00 . A A . 5 DIV HG12 1 1
18 4126 1 1 5 . HG13 H -8.360 0.076 -0.089 1.00 . A A . 5 DIV HG13 1 1
18 4127 1 1 5 . N N -6.931 0.837 1.931 1.00 . A A . 5 DIV N 1 1
18 4128 1 1 5 . O O -3.830 0.904 0.318 1.00 . A A . 5 DIV O 1 1
18 4129 1 1 6 ILE C C -2.428 -0.072 2.715 1.00 . A A . 6 ILE C 1 1
18 4130 1 1 6 ILE CA C -2.838 1.394 2.869 1.00 . A A . 6 ILE CA 1 1
18 4131 1 1 6 ILE CB C -2.641 1.942 4.283 1.00 . A A . 6 ILE CB 1 1
18 4132 1 1 6 ILE CD1 C -3.018 4.023 5.659 1.00 . A A . 6 ILE CD1 1 1
18 4133 1 1 6 ILE CG1 C -2.635 3.472 4.283 1.00 . A A . 6 ILE CG1 1 1
18 4134 1 1 6 ILE CG2 C -1.378 1.364 4.924 1.00 . A A . 6 ILE CG2 1 1
18 4135 1 1 6 ILE H H -4.843 1.880 3.160 1.00 . A A . 6 ILE H 1 1
18 4136 1 1 6 ILE HA H -2.222 1.997 2.201 1.00 . A A . 6 ILE HA 1 1
18 4137 1 1 6 ILE HB H -3.486 1.623 4.894 1.00 . A A . 6 ILE HB 1 1
18 4138 1 1 6 ILE HD11 H -2.354 3.604 6.415 1.00 . A A . 6 ILE HD11 1 1
18 4139 1 1 6 ILE HD12 H -2.925 5.108 5.654 1.00 . A A . 6 ILE HD12 1 1
18 4140 1 1 6 ILE HD13 H -4.048 3.746 5.887 1.00 . A A . 6 ILE HD13 1 1
18 4141 1 1 6 ILE HG12 H -1.646 3.835 4.004 1.00 . A A . 6 ILE HG12 1 1
18 4142 1 1 6 ILE HG13 H -3.334 3.841 3.532 1.00 . A A . 6 ILE HG13 1 1
18 4143 1 1 6 ILE HG21 H -1.175 1.885 5.861 1.00 . A A . 6 ILE HG21 1 1
18 4144 1 1 6 ILE HG22 H -1.524 0.303 5.122 1.00 . A A . 6 ILE HG22 1 1
18 4145 1 1 6 ILE HG23 H -0.535 1.495 4.246 1.00 . A A . 6 ILE HG23 1 1
18 4146 1 1 6 ILE N N -4.220 1.554 2.449 1.00 . A A . 6 ILE N 1 1
18 4147 1 1 6 ILE O O -1.476 -0.382 2.000 1.00 . A A . 6 ILE O 1 1
18 4148 1 1 7 THR C C -2.549 -2.920 2.100 1.00 . A A . 7 THR C 1 1
18 4149 1 1 7 THR CA C -2.787 -2.333 3.494 1.00 . A A . 7 THR CA 1 1
18 4150 1 1 7 THR CB C -3.875 -3.065 4.283 1.00 . A A . 7 THR CB 1 1
18 4151 1 1 7 THR CG2 C -3.567 -4.553 4.463 1.00 . A A . 7 THR CG2 1 1
18 4152 1 1 7 THR H H -4.012 -0.692 3.874 1.00 . A A . 7 THR H 1 1
18 4153 1 1 7 THR HA H -1.842 -2.395 4.032 1.00 . A A . 7 THR HA 1 1
18 4154 1 1 7 THR HB H -4.852 -2.923 3.824 1.00 . A A . 7 THR HB 1 1
18 4155 1 1 7 THR HG1 H -4.627 -2.084 5.857 1.00 . A A . 7 THR HG1 1 1
18 4156 1 1 7 THR HG21 H -3.951 -5.109 3.608 1.00 . A A . 7 THR HG21 1 1
18 4157 1 1 7 THR HG22 H -2.488 -4.695 4.533 1.00 . A A . 7 THR HG22 1 1
18 4158 1 1 7 THR HG23 H -4.041 -4.914 5.375 1.00 . A A . 7 THR HG23 1 1
18 4159 1 1 7 THR N N -3.168 -0.934 3.396 1.00 . A A . 7 THR N 1 1
18 4160 1 1 7 THR O O -1.549 -3.599 1.872 1.00 . A A . 7 THR O 1 1
18 4161 1 1 7 THR OG1 O -3.769 -2.528 5.599 1.00 . A A . 7 THR OG1 1 1
18 4162 1 1 8 ABA C C -2.260 -2.684 -0.959 1.00 . A A . 8 AIB C 1 1
18 4163 1 1 8 ABA CA C -3.437 -3.203 -0.130 1.00 . A A . 8 AIB CA 1 1
18 4164 1 1 8 ABA H H -4.262 -2.034 1.383 1.00 . A A . 8 AIB H 1 1
18 4165 1 1 8 ABA N N -3.485 -2.637 1.206 1.00 . A A . 8 AIB N 1 1
18 4166 1 1 8 ABA O O -1.719 -3.404 -1.797 1.00 . A A . 8 AIB O 1 1
18 4167 1 1 9 LEU C C 0.499 -1.040 -0.843 1.00 . A A . 9 LEU C 1 1
18 4168 1 1 9 LEU CA C -0.869 -0.775 -1.478 1.00 . A A . 9 LEU CA 1 1
18 4169 1 1 9 LEU CB C -1.193 0.712 -1.642 1.00 . A A . 9 LEU CB 1 1
18 4170 1 1 9 LEU CD1 C -2.807 2.516 -2.346 1.00 . A A . 9 LEU CD1 1 1
18 4171 1 1 9 LEU CD2 C -2.232 0.627 -3.938 1.00 . A A . 9 LEU CD2 1 1
18 4172 1 1 9 LEU CG C -2.431 1.039 -2.479 1.00 . A A . 9 LEU CG 1 1
18 4173 1 1 9 LEU H H -2.294 -0.882 0.038 1.00 . A A . 9 LEU H 1 1
18 4174 1 1 9 LEU HA H -0.879 -1.219 -2.473 1.00 . A A . 9 LEU HA 1 1
18 4175 1 1 9 LEU HB2 H -1.322 1.146 -0.651 1.00 . A A . 9 LEU HB2 1 1
18 4176 1 1 9 LEU HB3 H -0.332 1.203 -2.096 1.00 . A A . 9 LEU HB3 1 1
18 4177 1 1 9 LEU HD11 H -3.725 2.709 -2.901 1.00 . A A . 9 LEU HD11 1 1
18 4178 1 1 9 LEU HD12 H -2.960 2.760 -1.295 1.00 . A A . 9 LEU HD12 1 1
18 4179 1 1 9 LEU HD13 H -2.003 3.133 -2.749 1.00 . A A . 9 LEU HD13 1 1
18 4180 1 1 9 LEU HD21 H -2.263 -0.460 -4.016 1.00 . A A . 9 LEU HD21 1 1
18 4181 1 1 9 LEU HD22 H -3.026 1.057 -4.549 1.00 . A A . 9 LEU HD22 1 1
18 4182 1 1 9 LEU HD23 H -1.266 0.989 -4.289 1.00 . A A . 9 LEU HD23 1 1
18 4183 1 1 9 LEU HG H -3.269 0.459 -2.091 1.00 . A A . 9 LEU HG 1 1
18 4184 1 1 9 LEU N N -1.898 -1.437 -0.694 1.00 . A A . 9 LEU N 1 1
18 4185 1 1 9 LEU O O 1.530 -0.866 -1.489 1.00 . A A . 9 LEU O 1 1
18 4186 1 1 10 ABA C C 2.820 -2.238 0.519 1.00 . A A . 10 AIB C 1 1
18 4187 1 1 10 ABA CA C 1.669 -1.513 1.220 1.00 . A A . 10 AIB CA 1 1
18 4188 1 1 10 ABA H H -0.373 -1.748 0.881 1.00 . A A . 10 AIB H 1 1
18 4189 1 1 10 ABA N N 0.461 -1.455 0.414 1.00 . A A . 10 AIB N 1 1
18 4190 1 1 10 ABA O O 3.925 -1.705 0.419 1.00 . A A . 10 AIB O 1 1
18 4191 1 1 11 HYP C C 4.120 -3.957 -1.761 1.00 . A A . 11 HYP C 1 1
18 4192 1 1 11 HYP CA C 3.557 -4.383 -0.404 1.00 . A A . 11 HYP CA 1 1
18 4193 1 1 11 HYP CB C 2.895 -5.750 -0.439 1.00 . A A . 11 HYP CB 1 1
18 4194 1 1 11 HYP CD C 1.172 -4.031 -0.100 1.00 . A A . 11 HYP CD 1 1
18 4195 1 1 11 HYP CG C 1.397 -5.488 -0.468 1.00 . A A . 11 HYP CG 1 1
18 4196 1 1 11 HYP HA H 4.395 -4.358 0.291 1.00 . A A . 11 HYP HA 1 1
18 4197 1 1 11 HYP HB2 H 3.209 -6.315 -1.317 1.00 . A A . 11 HYP HB2 1 1
18 4198 1 1 11 HYP HB3 H 3.170 -6.341 0.434 1.00 . A A . 11 HYP HB3 1 1
18 4199 1 1 11 HYP HD1 H 1.176 -5.958 1.523 1.00 . A A . 11 HYP HD1 1 1
18 4200 1 1 11 HYP HD22 H 0.603 -3.511 -0.870 1.00 . A A . 11 HYP HD22 1 1
18 4201 1 1 11 HYP HD23 H 0.608 -3.940 0.829 1.00 . A A . 11 HYP HD23 1 1
18 4202 1 1 11 HYP HG H 0.954 -5.740 -1.431 1.00 . A A . 11 HYP HG 1 1
18 4203 1 1 11 HYP N N 2.514 -3.472 0.037 1.00 . A A . 11 HYP N 1 1
18 4204 1 1 11 HYP O O 5.192 -4.408 -2.161 1.00 . A A . 11 HYP O 1 1
18 4205 1 1 11 HYP OD1 O 0.819 -6.287 0.649 1.00 . A A . 11 HYP OD1 1 1
18 4206 1 1 12 GLN C C 4.470 -1.422 -3.846 1.00 . A A . 12 GLN C 1 1
18 4207 1 1 12 GLN CA C 3.688 -2.736 -3.803 1.00 . A A . 12 GLN CA 1 1
18 4208 1 1 12 GLN CB C 2.418 -2.646 -4.651 1.00 . A A . 12 GLN CB 1 1
18 4209 1 1 12 GLN CD C 2.799 -4.714 -6.043 1.00 . A A . 12 GLN CD 1 1
18 4210 1 1 12 GLN CG C 1.897 -4.040 -5.008 1.00 . A A . 12 GLN CG 1 1
18 4211 1 1 12 GLN H H 2.568 -2.637 -2.050 1.00 . A A . 12 GLN H 1 1
18 4212 1 1 12 GLN HA H 4.311 -3.549 -4.177 1.00 . A A . 12 GLN HA 1 1
18 4213 1 1 12 GLN HB2 H 1.652 -2.095 -4.108 1.00 . A A . 12 GLN HB2 1 1
18 4214 1 1 12 GLN HB3 H 2.625 -2.087 -5.565 1.00 . A A . 12 GLN HB3 1 1
18 4215 1 1 12 GLN HE21 H 1.991 -6.495 -5.518 1.00 . A A . 12 GLN HE21 1 1
18 4216 1 1 12 GLN HE22 H 3.195 -6.565 -6.761 1.00 . A A . 12 GLN HE22 1 1
18 4217 1 1 12 GLN HG2 H 1.847 -4.654 -4.108 1.00 . A A . 12 GLN HG2 1 1
18 4218 1 1 12 GLN HG3 H 0.882 -3.963 -5.398 1.00 . A A . 12 GLN HG3 1 1
18 4219 1 1 12 GLN N N 3.374 -3.091 -2.430 1.00 . A A . 12 GLN N 1 1
18 4220 1 1 12 GLN NE2 N 2.649 -6.034 -6.113 1.00 . A A . 12 GLN NE2 1 1
18 4221 1 1 12 GLN O O 5.115 -1.111 -4.846 1.00 . A A . 12 GLN O 1 1
18 4222 1 1 12 GLN OE1 O 3.579 -4.079 -6.733 1.00 . A A . 12 GLN OE1 1 1
18 4223 1 1 13 ABA C C 6.476 0.620 -3.099 1.00 . A A . 13 AIB C 1 1
18 4224 1 1 13 ABA CA C 5.005 0.629 -2.679 1.00 . A A . 13 AIB CA 1 1
18 4225 1 1 13 ABA H H 3.910 -0.971 -1.917 1.00 . A A . 13 AIB H 1 1
18 4226 1 1 13 ABA N N 4.387 -0.685 -2.748 1.00 . A A . 13 AIB N 1 1
18 4227 1 1 13 ABA O O 6.891 1.415 -3.941 1.00 . A A . 13 AIB O 1 1
18 4228 1 1 14 HYP C C 9.097 -0.846 -4.006 1.00 . A A . 14 HYP C 1 1
18 4229 1 1 14 HYP CA C 8.690 -0.315 -2.630 1.00 . A A . 14 HYP CA 1 1
18 4230 1 1 14 HYP CB C 9.206 -1.173 -1.486 1.00 . A A . 14 HYP CB 1 1
18 4231 1 1 14 HYP CD C 6.762 -1.390 -1.617 1.00 . A A . 14 HYP CD 1 1
18 4232 1 1 14 HYP CG C 8.018 -1.997 -1.015 1.00 . A A . 14 HYP CG 1 1
18 4233 1 1 14 HYP HA H 9.074 0.704 -2.575 1.00 . A A . 14 HYP HA 1 1
18 4234 1 1 14 HYP HB2 H 10.021 -1.816 -1.817 1.00 . A A . 14 HYP HB2 1 1
18 4235 1 1 14 HYP HB3 H 9.597 -0.554 -0.678 1.00 . A A . 14 HYP HB3 1 1
18 4236 1 1 14 HYP HD1 H 7.834 -0.792 0.644 1.00 . A A . 14 HYP HD1 1 1
18 4237 1 1 14 HYP HD22 H 6.198 -2.129 -2.186 1.00 . A A . 14 HYP HD22 1 1
18 4238 1 1 14 HYP HD23 H 6.096 -1.007 -0.843 1.00 . A A . 14 HYP HD23 1 1
18 4239 1 1 14 HYP HG H 8.125 -3.052 -1.266 1.00 . A A . 14 HYP HG 1 1
18 4240 1 1 14 HYP N N 7.246 -0.314 -2.477 1.00 . A A . 14 HYP N 1 1
18 4241 1 1 14 HYP O O 10.143 -0.476 -4.534 1.00 . A A . 14 HYP O 1 1
18 4242 1 1 14 HYP OD1 O 7.918 -1.770 0.454 1.00 . A A . 14 HYP OD1 1 1
18 4243 1 1 15 ABA C C 9.459 -1.929 -6.708 1.00 . A A . 15 AIB C 1 1
18 4244 1 1 15 ABA CA C 8.672 -2.621 -5.593 1.00 . A A . 15 AIB CA 1 1
18 4245 1 1 15 ABA H H 7.286 -1.786 -4.282 1.00 . A A . 15 AIB H 1 1
18 4246 1 1 15 ABA N N 8.247 -1.707 -4.547 1.00 . A A . 15 AIB N 1 1
18 4247 1 1 15 ABA O O 10.582 -2.326 -7.018 1.00 . A A . 15 AIB O 1 1
18 4248 1 1 16 PRO C C 10.566 0.554 -8.272 1.00 . A A . 16 PRO C 1 1
18 4249 1 1 16 PRO CA C 9.322 -0.299 -8.529 1.00 . A A . 16 PRO CA 1 1
18 4250 1 1 16 PRO CB C 8.156 0.504 -9.084 1.00 . A A . 16 PRO CB 1 1
18 4251 1 1 16 PRO CD C 7.620 -0.221 -6.797 1.00 . A A . 16 PRO CD 1 1
18 4252 1 1 16 PRO CG C 7.208 0.723 -7.916 1.00 . A A . 16 PRO CG 1 1
18 4253 1 1 16 PRO HA H 9.610 -1.018 -9.160 1.00 . A A . 16 PRO HA 1 1
18 4254 1 1 16 PRO HB2 H 8.497 1.455 -9.493 1.00 . A A . 16 PRO HB2 1 1
18 4255 1 1 16 PRO HB3 H 7.662 -0.033 -9.892 1.00 . A A . 16 PRO HB3 1 1
18 4256 1 1 16 PRO HD2 H 7.817 0.322 -5.874 1.00 . A A . 16 PRO HD2 1 1
18 4257 1 1 16 PRO HD3 H 6.833 -0.943 -6.580 1.00 . A A . 16 PRO HD3 1 1
18 4258 1 1 16 PRO HG2 H 7.252 1.759 -7.577 1.00 . A A . 16 PRO HG2 1 1
18 4259 1 1 16 PRO HG3 H 6.179 0.530 -8.218 1.00 . A A . 16 PRO HG3 1 1
18 4260 1 1 16 PRO N N 8.824 -0.879 -7.294 1.00 . A A . 16 PRO N 1 1
18 4261 1 1 16 PRO O O 11.232 0.986 -9.211 1.00 . A A . 16 PRO O 1 1
18 4262 1 1 17 PHL C C 13.037 0.668 -5.890 1.00 . A A . 17 PHL C 1 1
18 4263 1 1 17 PHL CA C 12.006 1.546 -6.601 1.00 . A A . 17 PHL CA 1 1
18 4264 1 1 17 PHL CB C 11.517 2.624 -5.632 1.00 . A A . 17 PHL CB 1 1
18 4265 1 1 17 PHL CD1 C 9.183 3.421 -6.066 1.00 . A A . 17 PHL CD1 1 1
18 4266 1 1 17 PHL CD2 C 10.966 4.666 -6.972 1.00 . A A . 17 PHL CD2 1 1
18 4267 1 1 17 PHL CE1 C 8.256 4.333 -6.637 1.00 . A A . 17 PHL CE1 1 1
18 4268 1 1 17 PHL CE2 C 10.038 5.579 -7.543 1.00 . A A . 17 PHL CE2 1 1
18 4269 1 1 17 PHL CG C 10.518 3.607 -6.246 1.00 . A A . 17 PHL CG 1 1
18 4270 1 1 17 PHL CZ C 8.703 5.392 -7.363 1.00 . A A . 17 PHL CZ 1 1
18 4271 1 1 17 PHL H2 H 10.290 0.424 -6.235 1.00 . A A . 17 PHL H2 1 1
18 4272 1 1 17 PHL HA H 12.445 1.954 -7.511 1.00 . A A . 17 PHL HA 1 1
18 4273 1 1 17 PHL HB2 H 11.054 2.142 -4.771 1.00 . A A . 17 PHL HB2 1 1
18 4274 1 1 17 PHL HB3 H 12.378 3.182 -5.260 1.00 . A A . 17 PHL HB3 1 1
18 4275 1 1 17 PHL HC1 H 13.290 -0.175 -6.534 1.00 . A A . 17 PHL HC1 1 1
18 4276 1 1 17 PHL HC2 H 12.611 0.307 -4.954 1.00 . A A . 17 PHL HC2 1 1
18 4277 1 1 17 PHL HD1 H 8.826 2.572 -5.484 1.00 . A A . 17 PHL HD1 1 1
18 4278 1 1 17 PHL HD2 H 12.036 4.816 -7.117 1.00 . A A . 17 PHL HD2 1 1
18 4279 1 1 17 PHL HE1 H 7.186 4.183 -6.492 1.00 . A A . 17 PHL HE1 1 1
18 4280 1 1 17 PHL HE2 H 10.397 6.427 -8.125 1.00 . A A . 17 PHL HE2 1 1
18 4281 1 1 17 PHL HO H 15.003 0.748 -5.521 1.00 . A A . 17 PHL HO 1 1
18 4282 1 1 17 PHL HZ H 7.992 6.092 -7.801 1.00 . A A . 17 PHL HZ 1 1
18 4283 1 1 17 PHL N N 10.843 0.770 -6.993 1.00 . A A . 17 PHL N 1 1
18 4284 1 1 17 PHL O O 14.234 1.382 -5.594 1.00 . A A . 17 PHL O 1 1
19 4285 1 1 1 ACE C C -9.690 2.781 4.002 1.00 . A A . 1 ACE C 1 1
19 4286 1 1 1 ACE CH3 C -11.090 2.435 4.376 1.00 . A A . 1 ACE CH3 1 1
19 4287 1 1 1 ACE H1 H -11.098 1.961 5.358 1.00 . A A . 1 ACE H1 1 1
19 4288 1 1 1 ACE H2 H -11.693 3.343 4.406 1.00 . A A . 1 ACE H2 1 1
19 4289 1 1 1 ACE H3 H -11.504 1.748 3.639 1.00 . A A . 1 ACE H3 1 1
19 4290 1 1 1 ACE O O -9.125 2.188 3.084 1.00 . A A . 1 ACE O 1 1
19 4291 1 1 2 TRP C C -6.825 3.075 4.854 1.00 . A A . 2 TRP C 1 1
19 4292 1 1 2 TRP CA C -7.785 4.199 4.459 1.00 . A A . 2 TRP CA 1 1
19 4293 1 1 2 TRP CB C -7.494 5.515 5.183 1.00 . A A . 2 TRP CB 1 1
19 4294 1 1 2 TRP CD1 C -8.299 5.473 7.635 1.00 . A A . 2 TRP CD1 1 1
19 4295 1 1 2 TRP CD2 C -6.127 5.096 7.421 1.00 . A A . 2 TRP CD2 1 1
19 4296 1 1 2 TRP CE2 C -6.424 5.046 8.767 1.00 . A A . 2 TRP CE2 1 1
19 4297 1 1 2 TRP CE3 C -4.817 4.894 6.952 1.00 . A A . 2 TRP CE3 1 1
19 4298 1 1 2 TRP CG C -7.346 5.372 6.699 1.00 . A A . 2 TRP CG 1 1
19 4299 1 1 2 TRP CH2 C -4.152 4.593 9.311 1.00 . A A . 2 TRP CH2 1 1
19 4300 1 1 2 TRP CZ2 C -5.464 4.795 9.755 1.00 . A A . 2 TRP CZ2 1 1
19 4301 1 1 2 TRP CZ3 C -3.870 4.645 7.952 1.00 . A A . 2 TRP CZ3 1 1
19 4302 1 1 2 TRP H H -9.601 4.214 5.477 1.00 . A A . 2 TRP H 1 1
19 4303 1 1 2 TRP HA H -7.703 4.399 3.391 1.00 . A A . 2 TRP HA 1 1
19 4304 1 1 2 TRP HB2 H -6.580 5.947 4.777 1.00 . A A . 2 TRP HB2 1 1
19 4305 1 1 2 TRP HB3 H -8.300 6.219 4.973 1.00 . A A . 2 TRP HB3 1 1
19 4306 1 1 2 TRP HD1 H -9.349 5.678 7.422 1.00 . A A . 2 TRP HD1 1 1
19 4307 1 1 2 TRP HE1 H -8.348 5.312 9.836 1.00 . A A . 2 TRP HE1 1 1
19 4308 1 1 2 TRP HE3 H -4.557 4.928 5.894 1.00 . A A . 2 TRP HE3 1 1
19 4309 1 1 2 TRP HH2 H -3.355 4.393 10.029 1.00 . A A . 2 TRP HH2 1 1
19 4310 1 1 2 TRP HZ2 H -5.724 4.761 10.813 1.00 . A A . 2 TRP HZ2 1 1
19 4311 1 1 2 TRP HZ3 H -2.836 4.483 7.642 1.00 . A A . 2 TRP HZ3 1 1
19 4312 1 1 2 TRP N N -9.139 3.745 4.724 1.00 . A A . 2 TRP N 1 1
19 4313 1 1 2 TRP NE1 N -7.787 5.282 8.902 1.00 . A A . 2 TRP NE1 1 1
19 4314 1 1 2 TRP O O -5.768 2.913 4.244 1.00 . A A . 2 TRP O 1 1
19 4315 1 1 3 ILE C C -6.415 0.065 5.494 1.00 . A A . 3 ILE C 1 1
19 4316 1 1 3 ILE CA C -6.374 1.285 6.417 1.00 . A A . 3 ILE CA 1 1
19 4317 1 1 3 ILE CB C -6.762 0.975 7.863 1.00 . A A . 3 ILE CB 1 1
19 4318 1 1 3 ILE CD1 C -4.564 -0.075 8.515 1.00 . A A . 3 ILE CD1 1 1
19 4319 1 1 3 ILE CG1 C -5.548 1.065 8.789 1.00 . A A . 3 ILE CG1 1 1
19 4320 1 1 3 ILE CG2 C -7.462 -0.382 7.965 1.00 . A A . 3 ILE CG2 1 1
19 4321 1 1 3 ILE H H -8.113 2.425 6.322 1.00 . A A . 3 ILE H 1 1
19 4322 1 1 3 ILE HA H -5.355 1.671 6.432 1.00 . A A . 3 ILE HA 1 1
19 4323 1 1 3 ILE HB H -7.476 1.730 8.194 1.00 . A A . 3 ILE HB 1 1
19 4324 1 1 3 ILE HD11 H -3.650 0.089 9.086 1.00 . A A . 3 ILE HD11 1 1
19 4325 1 1 3 ILE HD12 H -5.014 -1.022 8.815 1.00 . A A . 3 ILE HD12 1 1
19 4326 1 1 3 ILE HD13 H -4.329 -0.104 7.452 1.00 . A A . 3 ILE HD13 1 1
19 4327 1 1 3 ILE HG12 H -5.048 2.022 8.647 1.00 . A A . 3 ILE HG12 1 1
19 4328 1 1 3 ILE HG13 H -5.875 1.027 9.828 1.00 . A A . 3 ILE HG13 1 1
19 4329 1 1 3 ILE HG21 H -6.795 -1.162 7.598 1.00 . A A . 3 ILE HG21 1 1
19 4330 1 1 3 ILE HG22 H -7.718 -0.583 9.005 1.00 . A A . 3 ILE HG22 1 1
19 4331 1 1 3 ILE HG23 H -8.370 -0.369 7.364 1.00 . A A . 3 ILE HG23 1 1
19 4332 1 1 3 ILE N N -7.226 2.327 5.872 1.00 . A A . 3 ILE N 1 1
19 4333 1 1 3 ILE O O -5.480 -0.735 5.474 1.00 . A A . 3 ILE O 1 1
19 4334 1 1 4 GLN C C -6.760 -0.616 2.494 1.00 . A A . 4 GLN C 1 1
19 4335 1 1 4 GLN CA C -7.605 -1.035 3.699 1.00 . A A . 4 GLN CA 1 1
19 4336 1 1 4 GLN CB C -9.063 -1.262 3.292 1.00 . A A . 4 GLN CB 1 1
19 4337 1 1 4 GLN CD C -11.215 -2.432 3.893 1.00 . A A . 4 GLN CD 1 1
19 4338 1 1 4 GLN CG C -9.711 -2.345 4.159 1.00 . A A . 4 GLN CG 1 1
19 4339 1 1 4 GLN H H -8.317 0.539 4.864 1.00 . A A . 4 GLN H 1 1
19 4340 1 1 4 GLN HA H -7.207 -1.954 4.129 1.00 . A A . 4 GLN HA 1 1
19 4341 1 1 4 GLN HB2 H -9.621 -0.332 3.390 1.00 . A A . 4 GLN HB2 1 1
19 4342 1 1 4 GLN HB3 H -9.110 -1.554 2.243 1.00 . A A . 4 GLN HB3 1 1
19 4343 1 1 4 GLN HE21 H -11.369 -3.711 5.455 1.00 . A A . 4 GLN HE21 1 1
19 4344 1 1 4 GLN HE22 H -12.855 -3.354 4.641 1.00 . A A . 4 GLN HE22 1 1
19 4345 1 1 4 GLN HG2 H -9.245 -3.309 3.951 1.00 . A A . 4 GLN HG2 1 1
19 4346 1 1 4 GLN HG3 H -9.535 -2.127 5.212 1.00 . A A . 4 GLN HG3 1 1
19 4347 1 1 4 GLN N N -7.508 -0.040 4.753 1.00 . A A . 4 GLN N 1 1
19 4348 1 1 4 GLN NE2 N -11.867 -3.232 4.732 1.00 . A A . 4 GLN NE2 1 1
19 4349 1 1 4 GLN O O -5.948 -1.396 2.001 1.00 . A A . 4 GLN O 1 1
19 4350 1 1 4 GLN OE1 O -11.749 -1.814 2.988 1.00 . A A . 4 GLN OE1 1 1
19 4351 1 1 5 . C C -4.662 0.992 1.233 1.00 . A A . 5 DIV C 1 1
19 4352 1 1 5 . CA C -6.161 1.193 1.005 1.00 . A A . 5 DIV CA 1 1
19 4353 1 1 5 . CB1 C -6.523 0.557 -0.340 1.00 . A A . 5 DIV CB1 1 1
19 4354 1 1 5 . CB2 C -6.435 2.696 0.964 1.00 . A A . 5 DIV CB2 1 1
19 4355 1 1 5 . CG1 C -7.974 0.815 -0.751 1.00 . A A . 5 DIV CG1 1 1
19 4356 1 1 5 . H H -7.700 1.213 2.408 1.00 . A A . 5 DIV H 1 1
19 4357 1 1 5 . HB11 H -6.382 -0.523 -0.279 1.00 . A A . 5 DIV HB11 1 1
19 4358 1 1 5 . HB12 H -5.879 0.962 -1.119 1.00 . A A . 5 DIV HB12 1 1
19 4359 1 1 5 . HB21 H -7.512 2.867 0.937 1.00 . A A . 5 DIV HB21 1 1
19 4360 1 1 5 . HB22 H -6.017 3.165 1.855 1.00 . A A . 5 DIV HB22 1 1
19 4361 1 1 5 . HB23 H -5.975 3.126 0.075 1.00 . A A . 5 DIV HB23 1 1
19 4362 1 1 5 . HG11 H -8.229 0.180 -1.600 1.00 . A A . 5 DIV HG11 1 1
19 4363 1 1 5 . HG12 H -8.635 0.588 0.084 1.00 . A A . 5 DIV HG12 1 1
19 4364 1 1 5 . HG13 H -8.091 1.861 -1.034 1.00 . A A . 5 DIV HG13 1 1
19 4365 1 1 5 . N N -6.980 0.616 2.057 1.00 . A A . 5 DIV N 1 1
19 4366 1 1 5 . O O -3.943 0.563 0.333 1.00 . A A . 5 DIV O 1 1
19 4367 1 1 6 ILE C C -2.257 -0.051 2.841 1.00 . A A . 6 ILE C 1 1
19 4368 1 1 6 ILE CA C -2.815 1.371 2.748 1.00 . A A . 6 ILE CA 1 1
19 4369 1 1 6 ILE CB C -2.567 2.212 4.002 1.00 . A A . 6 ILE CB 1 1
19 4370 1 1 6 ILE CD1 C -0.985 3.819 5.128 1.00 . A A . 6 ILE CD1 1 1
19 4371 1 1 6 ILE CG1 C -1.159 2.809 3.993 1.00 . A A . 6 ILE CG1 1 1
19 4372 1 1 6 ILE CG2 C -2.838 1.399 5.269 1.00 . A A . 6 ILE CG2 1 1
19 4373 1 1 6 ILE H H -4.839 1.528 3.214 1.00 . A A . 6 ILE H 1 1
19 4374 1 1 6 ILE HA H -2.325 1.879 1.917 1.00 . A A . 6 ILE HA 1 1
19 4375 1 1 6 ILE HB H -3.270 3.045 3.998 1.00 . A A . 6 ILE HB 1 1
19 4376 1 1 6 ILE HD11 H -0.983 3.295 6.085 1.00 . A A . 6 ILE HD11 1 1
19 4377 1 1 6 ILE HD12 H -0.039 4.348 5.002 1.00 . A A . 6 ILE HD12 1 1
19 4378 1 1 6 ILE HD13 H -1.806 4.535 5.107 1.00 . A A . 6 ILE HD13 1 1
19 4379 1 1 6 ILE HG12 H -0.422 2.012 4.095 1.00 . A A . 6 ILE HG12 1 1
19 4380 1 1 6 ILE HG13 H -0.972 3.295 3.036 1.00 . A A . 6 ILE HG13 1 1
19 4381 1 1 6 ILE HG21 H -2.009 0.712 5.444 1.00 . A A . 6 ILE HG21 1 1
19 4382 1 1 6 ILE HG22 H -2.936 2.073 6.119 1.00 . A A . 6 ILE HG22 1 1
19 4383 1 1 6 ILE HG23 H -3.760 0.830 5.147 1.00 . A A . 6 ILE HG23 1 1
19 4384 1 1 6 ILE N N -4.235 1.312 2.446 1.00 . A A . 6 ILE N 1 1
19 4385 1 1 6 ILE O O -1.103 -0.293 2.493 1.00 . A A . 6 ILE O 1 1
19 4386 1 1 7 THR C C -2.551 -2.970 2.035 1.00 . A A . 7 THR C 1 1
19 4387 1 1 7 THR CA C -2.723 -2.351 3.424 1.00 . A A . 7 THR CA 1 1
19 4388 1 1 7 THR CB C -3.774 -3.063 4.279 1.00 . A A . 7 THR CB 1 1
19 4389 1 1 7 THR CG2 C -3.512 -4.564 4.401 1.00 . A A . 7 THR CG2 1 1
19 4390 1 1 7 THR H H -4.035 -0.744 3.615 1.00 . A A . 7 THR H 1 1
19 4391 1 1 7 THR HA H -1.754 -2.405 3.920 1.00 . A A . 7 THR HA 1 1
19 4392 1 1 7 THR HB H -4.778 -2.872 3.899 1.00 . A A . 7 THR HB 1 1
19 4393 1 1 7 THR HG1 H -4.363 -2.086 5.923 1.00 . A A . 7 THR HG1 1 1
19 4394 1 1 7 THR HG21 H -4.220 -5.001 5.106 1.00 . A A . 7 THR HG21 1 1
19 4395 1 1 7 THR HG22 H -3.633 -5.035 3.426 1.00 . A A . 7 THR HG22 1 1
19 4396 1 1 7 THR HG23 H -2.495 -4.728 4.760 1.00 . A A . 7 THR HG23 1 1
19 4397 1 1 7 THR N N -3.105 -0.955 3.313 1.00 . A A . 7 THR N 1 1
19 4398 1 1 7 THR O O -1.603 -3.716 1.797 1.00 . A A . 7 THR O 1 1
19 4399 1 1 7 THR OG1 O -3.548 -2.562 5.594 1.00 . A A . 7 THR OG1 1 1
19 4400 1 1 8 ABA C C -2.221 -2.560 -0.989 1.00 . A A . 8 AIB C 1 1
19 4401 1 1 8 ABA CA C -3.421 -3.112 -0.217 1.00 . A A . 8 AIB CA 1 1
19 4402 1 1 8 ABA H H -4.266 -2.052 1.364 1.00 . A A . 8 AIB H 1 1
19 4403 1 1 8 ABA N N -3.483 -2.635 1.154 1.00 . A A . 8 AIB N 1 1
19 4404 1 1 8 ABA O O -1.627 -3.262 -1.806 1.00 . A A . 8 AIB O 1 1
19 4405 1 1 9 LEU C C 0.488 -0.845 -0.817 1.00 . A A . 9 LEU C 1 1
19 4406 1 1 9 LEU CA C -0.879 -0.603 -1.460 1.00 . A A . 9 LEU CA 1 1
19 4407 1 1 9 LEU CB C -1.241 0.876 -1.600 1.00 . A A . 9 LEU CB 1 1
19 4408 1 1 9 LEU CD1 C -2.976 2.612 -2.181 1.00 . A A . 9 LEU CD1 1 1
19 4409 1 1 9 LEU CD2 C -2.218 0.933 -3.924 1.00 . A A . 9 LEU CD2 1 1
19 4410 1 1 9 LEU CG C -2.482 1.188 -2.439 1.00 . A A . 9 LEU CG 1 1
19 4411 1 1 9 LEU H H -2.321 -0.777 0.033 1.00 . A A . 9 LEU H 1 1
19 4412 1 1 9 LEU HA H -0.869 -1.029 -2.465 1.00 . A A . 9 LEU HA 1 1
19 4413 1 1 9 LEU HB2 H -1.389 1.289 -0.602 1.00 . A A . 9 LEU HB2 1 1
19 4414 1 1 9 LEU HB3 H -0.391 1.398 -2.037 1.00 . A A . 9 LEU HB3 1 1
19 4415 1 1 9 LEU HD11 H -3.220 2.726 -1.124 1.00 . A A . 9 LEU HD11 1 1
19 4416 1 1 9 LEU HD12 H -2.194 3.323 -2.452 1.00 . A A . 9 LEU HD12 1 1
19 4417 1 1 9 LEU HD13 H -3.865 2.804 -2.781 1.00 . A A . 9 LEU HD13 1 1
19 4418 1 1 9 LEU HD21 H -2.083 -0.136 -4.091 1.00 . A A . 9 LEU HD21 1 1
19 4419 1 1 9 LEU HD22 H -3.065 1.289 -4.510 1.00 . A A . 9 LEU HD22 1 1
19 4420 1 1 9 LEU HD23 H -1.317 1.466 -4.229 1.00 . A A . 9 LEU HD23 1 1
19 4421 1 1 9 LEU HG H -3.280 0.511 -2.133 1.00 . A A . 9 LEU HG 1 1
19 4422 1 1 9 LEU N N -1.899 -1.307 -0.702 1.00 . A A . 9 LEU N 1 1
19 4423 1 1 9 LEU O O 1.520 -0.669 -1.461 1.00 . A A . 9 LEU O 1 1
19 4424 1 1 10 ABA C C 2.806 -2.035 0.511 1.00 . A A . 10 AIB C 1 1
19 4425 1 1 10 ABA CA C 1.662 -1.329 1.241 1.00 . A A . 10 AIB CA 1 1
19 4426 1 1 10 ABA H H -0.390 -1.504 0.925 1.00 . A A . 10 AIB H 1 1
19 4427 1 1 10 ABA N N 0.448 -1.243 0.446 1.00 . A A . 10 AIB N 1 1
19 4428 1 1 10 ABA O O 3.900 -1.488 0.387 1.00 . A A . 10 AIB O 1 1
19 4429 1 1 11 HYP C C 3.935 -3.649 -1.929 1.00 . A A . 11 HYP C 1 1
19 4430 1 1 11 HYP CA C 3.536 -4.127 -0.532 1.00 . A A . 11 HYP CA 1 1
19 4431 1 1 11 HYP CB C 2.933 -5.523 -0.531 1.00 . A A . 11 HYP CB 1 1
19 4432 1 1 11 HYP CD C 1.183 -3.891 0.025 1.00 . A A . 11 HYP CD 1 1
19 4433 1 1 11 HYP CG C 1.432 -5.329 -0.399 1.00 . A A . 11 HYP CG 1 1
19 4434 1 1 11 HYP HA H 4.440 -4.077 0.073 1.00 . A A . 11 HYP HA 1 1
19 4435 1 1 11 HYP HB2 H 3.179 -6.055 -1.450 1.00 . A A . 11 HYP HB2 1 1
19 4436 1 1 11 HYP HB3 H 3.325 -6.117 0.295 1.00 . A A . 11 HYP HB3 1 1
19 4437 1 1 11 HYP HD1 H 1.069 -7.142 0.506 1.00 . A A . 11 HYP HD1 1 1
19 4438 1 1 11 HYP HD22 H 0.514 -3.383 -0.671 1.00 . A A . 11 HYP HD22 1 1
19 4439 1 1 11 HYP HD23 H 0.716 -3.843 1.008 1.00 . A A . 11 HYP HD23 1 1
19 4440 1 1 11 HYP HG H 0.903 -5.583 -1.318 1.00 . A A . 11 HYP HG 1 1
19 4441 1 1 11 HYP N N 2.506 -3.273 0.035 1.00 . A A . 11 HYP N 1 1
19 4442 1 1 11 HYP O O 4.951 -4.084 -2.471 1.00 . A A . 11 HYP O 1 1
19 4443 1 1 11 HYP OD1 O 1.008 -6.174 0.753 1.00 . A A . 11 HYP OD1 1 1
19 4444 1 1 12 GLN C C 4.315 -1.143 -3.866 1.00 . A A . 12 GLN C 1 1
19 4445 1 1 12 GLN CA C 3.313 -2.299 -3.837 1.00 . A A . 12 GLN CA 1 1
19 4446 1 1 12 GLN CB C 1.983 -1.888 -4.473 1.00 . A A . 12 GLN CB 1 1
19 4447 1 1 12 GLN CD C -0.315 -2.667 -5.161 1.00 . A A . 12 GLN CD 1 1
19 4448 1 1 12 GLN CG C 0.974 -3.036 -4.422 1.00 . A A . 12 GLN CG 1 1
19 4449 1 1 12 GLN H H 2.332 -2.361 -2.000 1.00 . A A . 12 GLN H 1 1
19 4450 1 1 12 GLN HA H 3.719 -3.154 -4.377 1.00 . A A . 12 GLN HA 1 1
19 4451 1 1 12 GLN HB2 H 1.580 -1.020 -3.953 1.00 . A A . 12 GLN HB2 1 1
19 4452 1 1 12 GLN HB3 H 2.149 -1.590 -5.508 1.00 . A A . 12 GLN HB3 1 1
19 4453 1 1 12 GLN HE21 H -1.363 -3.593 -3.698 1.00 . A A . 12 GLN HE21 1 1
19 4454 1 1 12 GLN HE22 H -2.317 -2.893 -4.962 1.00 . A A . 12 GLN HE22 1 1
19 4455 1 1 12 GLN HG2 H 1.410 -3.930 -4.869 1.00 . A A . 12 GLN HG2 1 1
19 4456 1 1 12 GLN HG3 H 0.745 -3.278 -3.384 1.00 . A A . 12 GLN HG3 1 1
19 4457 1 1 12 GLN N N 3.117 -2.761 -2.473 1.00 . A A . 12 GLN N 1 1
19 4458 1 1 12 GLN NE2 N -1.424 -3.086 -4.557 1.00 . A A . 12 GLN NE2 1 1
19 4459 1 1 12 GLN O O 5.102 -1.022 -4.803 1.00 . A A . 12 GLN O 1 1
19 4460 1 1 12 GLN OE1 O -0.303 -2.044 -6.209 1.00 . A A . 12 GLN OE1 1 1
19 4461 1 1 13 ABA C C 6.415 0.856 -3.181 1.00 . A A . 13 AIB C 1 1
19 4462 1 1 13 ABA CA C 4.926 0.966 -2.850 1.00 . A A . 13 AIB CA 1 1
19 4463 1 1 13 ABA H H 3.754 -0.524 -1.984 1.00 . A A . 13 AIB H 1 1
19 4464 1 1 13 ABA N N 4.253 -0.322 -2.828 1.00 . A A . 13 AIB N 1 1
19 4465 1 1 13 ABA O O 6.911 1.548 -4.070 1.00 . A A . 13 AIB O 1 1
19 4466 1 1 14 HYP C C 9.024 -0.779 -3.781 1.00 . A A . 14 HYP C 1 1
19 4467 1 1 14 HYP CA C 8.556 -0.110 -2.488 1.00 . A A . 14 HYP CA 1 1
19 4468 1 1 14 HYP CB C 8.964 -0.878 -1.241 1.00 . A A . 14 HYP CB 1 1
19 4469 1 1 14 HYP CD C 6.526 -1.019 -1.512 1.00 . A A . 14 HYP CD 1 1
19 4470 1 1 14 HYP CG C 7.717 -1.613 -0.777 1.00 . A A . 14 HYP CG 1 1
19 4471 1 1 14 HYP HA H 8.977 0.895 -2.499 1.00 . A A . 14 HYP HA 1 1
19 4472 1 1 14 HYP HB2 H 9.771 -1.578 -1.459 1.00 . A A . 14 HYP HB2 1 1
19 4473 1 1 14 HYP HB3 H 9.330 -0.202 -0.468 1.00 . A A . 14 HYP HB3 1 1
19 4474 1 1 14 HYP HD1 H 6.735 -1.721 1.029 1.00 . A A . 14 HYP HD1 1 1
19 4475 1 1 14 HYP HD22 H 5.968 -1.786 -2.048 1.00 . A A . 14 HYP HD22 1 1
19 4476 1 1 14 HYP HD23 H 5.829 -0.545 -0.819 1.00 . A A . 14 HYP HD23 1 1
19 4477 1 1 14 HYP HG H 7.795 -2.690 -0.927 1.00 . A A . 14 HYP HG 1 1
19 4478 1 1 14 HYP N N 7.105 -0.044 -2.431 1.00 . A A . 14 HYP N 1 1
19 4479 1 1 14 HYP O O 10.174 -0.618 -4.187 1.00 . A A . 14 HYP O 1 1
19 4480 1 1 14 HYP OD1 O 7.535 -1.250 0.656 1.00 . A A . 14 HYP OD1 1 1
19 4481 1 1 15 ABA C C 9.409 -2.017 -6.454 1.00 . A A . 15 AIB C 1 1
19 4482 1 1 15 ABA CA C 8.491 -2.542 -5.350 1.00 . A A . 15 AIB CA 1 1
19 4483 1 1 15 ABA H H 7.124 -1.422 -4.246 1.00 . A A . 15 AIB H 1 1
19 4484 1 1 15 ABA N N 8.109 -1.516 -4.394 1.00 . A A . 15 AIB N 1 1
19 4485 1 1 15 ABA O O 10.477 -2.577 -6.698 1.00 . A A . 15 AIB O 1 1
19 4486 1 1 16 PRO C C 10.856 0.036 -8.334 1.00 . A A . 16 PRO C 1 1
19 4487 1 1 16 PRO CA C 9.453 -0.567 -8.428 1.00 . A A . 16 PRO CA 1 1
19 4488 1 1 16 PRO CB C 8.427 0.399 -8.997 1.00 . A A . 16 PRO CB 1 1
19 4489 1 1 16 PRO CD C 7.937 0.013 -6.620 1.00 . A A . 16 PRO CD 1 1
19 4490 1 1 16 PRO CG C 7.633 0.913 -7.807 1.00 . A A . 16 PRO CG 1 1
19 4491 1 1 16 PRO HA H 9.545 -1.386 -8.995 1.00 . A A . 16 PRO HA 1 1
19 4492 1 1 16 PRO HB2 H 8.915 1.219 -9.524 1.00 . A A . 16 PRO HB2 1 1
19 4493 1 1 16 PRO HB3 H 7.777 -0.099 -9.716 1.00 . A A . 16 PRO HB3 1 1
19 4494 1 1 16 PRO HD2 H 8.307 0.588 -5.772 1.00 . A A . 16 PRO HD2 1 1
19 4495 1 1 16 PRO HD3 H 7.044 -0.513 -6.283 1.00 . A A . 16 PRO HD3 1 1
19 4496 1 1 16 PRO HG2 H 7.904 1.944 -7.583 1.00 . A A . 16 PRO HG2 1 1
19 4497 1 1 16 PRO HG3 H 6.566 0.905 -8.028 1.00 . A A . 16 PRO HG3 1 1
19 4498 1 1 16 PRO N N 8.949 -0.919 -7.111 1.00 . A A . 16 PRO N 1 1
19 4499 1 1 16 PRO O O 11.547 0.169 -9.342 1.00 . A A . 16 PRO O 1 1
19 4500 1 1 17 PHL C C 13.563 0.051 -6.395 1.00 . A A . 17 PHL C 1 1
19 4501 1 1 17 PHL CA C 12.509 1.046 -6.885 1.00 . A A . 17 PHL CA 1 1
19 4502 1 1 17 PHL CB C 12.277 2.101 -5.802 1.00 . A A . 17 PHL CB 1 1
19 4503 1 1 17 PHL CD1 C 9.995 3.018 -5.328 1.00 . A A . 17 PHL CD1 1 1
19 4504 1 1 17 PHL CD2 C 11.207 3.935 -7.128 1.00 . A A . 17 PHL CD2 1 1
19 4505 1 1 17 PHL CE1 C 8.918 3.902 -5.603 1.00 . A A . 17 PHL CE1 1 1
19 4506 1 1 17 PHL CE2 C 10.131 4.819 -7.403 1.00 . A A . 17 PHL CE2 1 1
19 4507 1 1 17 PHL CG C 11.117 3.053 -6.096 1.00 . A A . 17 PHL CG 1 1
19 4508 1 1 17 PHL CZ C 9.009 4.784 -6.635 1.00 . A A . 17 PHL CZ 1 1
19 4509 1 1 17 PHL H2 H 10.689 0.224 -6.291 1.00 . A A . 17 PHL H2 1 1
19 4510 1 1 17 PHL HA H 12.827 1.472 -7.836 1.00 . A A . 17 PHL HA 1 1
19 4511 1 1 17 PHL HB2 H 12.088 1.597 -4.853 1.00 . A A . 17 PHL HB2 1 1
19 4512 1 1 17 PHL HB3 H 13.189 2.684 -5.676 1.00 . A A . 17 PHL HB3 1 1
19 4513 1 1 17 PHL HC1 H 13.710 -0.714 -7.158 1.00 . A A . 17 PHL HC1 1 1
19 4514 1 1 17 PHL HC2 H 13.214 -0.408 -5.470 1.00 . A A . 17 PHL HC2 1 1
19 4515 1 1 17 PHL HD1 H 9.923 2.310 -4.502 1.00 . A A . 17 PHL HD1 1 1
19 4516 1 1 17 PHL HD2 H 12.107 3.964 -7.743 1.00 . A A . 17 PHL HD2 1 1
19 4517 1 1 17 PHL HE1 H 8.019 3.874 -4.988 1.00 . A A . 17 PHL HE1 1 1
19 4518 1 1 17 PHL HE2 H 10.203 5.527 -8.229 1.00 . A A . 17 PHL HE2 1 1
19 4519 1 1 17 PHL HO H 15.242 0.953 -7.004 1.00 . A A . 17 PHL HO 1 1
19 4520 1 1 17 PHL HZ H 8.183 5.463 -6.846 1.00 . A A . 17 PHL HZ 1 1
19 4521 1 1 17 PHL N N 11.235 0.385 -7.113 1.00 . A A . 17 PHL N 1 1
19 4522 1 1 17 PHL O O 14.815 0.682 -6.142 1.00 . A A . 17 PHL O 1 1
20 4523 1 1 1 ACE C C -9.836 2.619 4.263 1.00 . A A . 1 ACE C 1 1
20 4524 1 1 1 ACE CH3 C -11.137 1.970 4.588 1.00 . A A . 1 ACE CH3 1 1
20 4525 1 1 1 ACE H1 H -11.055 1.449 5.542 1.00 . A A . 1 ACE H1 1 1
20 4526 1 1 1 ACE H2 H -11.916 2.729 4.655 1.00 . A A . 1 ACE H2 1 1
20 4527 1 1 1 ACE H3 H -11.392 1.256 3.805 1.00 . A A . 1 ACE H3 1 1
20 4528 1 1 1 ACE O O -9.170 2.236 3.303 1.00 . A A . 1 ACE O 1 1
20 4529 1 1 2 TRP C C -7.087 3.320 5.093 1.00 . A A . 2 TRP C 1 1
20 4530 1 1 2 TRP CA C -8.230 4.317 4.890 1.00 . A A . 2 TRP CA 1 1
20 4531 1 1 2 TRP CB C -8.143 5.525 5.824 1.00 . A A . 2 TRP CB 1 1
20 4532 1 1 2 TRP CD1 C -9.297 5.021 8.076 1.00 . A A . 2 TRP CD1 1 1
20 4533 1 1 2 TRP CD2 C -7.087 4.923 8.184 1.00 . A A . 2 TRP CD2 1 1
20 4534 1 1 2 TRP CE2 C -7.574 4.636 9.443 1.00 . A A . 2 TRP CE2 1 1
20 4535 1 1 2 TRP CE3 C -5.705 4.941 7.921 1.00 . A A . 2 TRP CE3 1 1
20 4536 1 1 2 TRP CG C -8.208 5.170 7.310 1.00 . A A . 2 TRP CG 1 1
20 4537 1 1 2 TRP CH2 C -5.371 4.359 10.298 1.00 . A A . 2 TRP CH2 1 1
20 4538 1 1 2 TRP CZ2 C -6.750 4.346 10.537 1.00 . A A . 2 TRP CZ2 1 1
20 4539 1 1 2 TRP CZ3 C -4.896 4.649 9.025 1.00 . A A . 2 TRP CZ3 1 1
20 4540 1 1 2 TRP H H -10.038 3.920 5.846 1.00 . A A . 2 TRP H 1 1
20 4541 1 1 2 TRP HA H -8.213 4.701 3.870 1.00 . A A . 2 TRP HA 1 1
20 4542 1 1 2 TRP HB2 H -7.211 6.056 5.627 1.00 . A A . 2 TRP HB2 1 1
20 4543 1 1 2 TRP HB3 H -8.956 6.212 5.589 1.00 . A A . 2 TRP HB3 1 1
20 4544 1 1 2 TRP HD1 H -10.320 5.140 7.718 1.00 . A A . 2 TRP HD1 1 1
20 4545 1 1 2 TRP HE1 H -9.656 4.523 10.197 1.00 . A A . 2 TRP HE1 1 1
20 4546 1 1 2 TRP HE3 H -5.296 5.165 6.936 1.00 . A A . 2 TRP HE3 1 1
20 4547 1 1 2 TRP HH2 H -4.673 4.142 11.107 1.00 . A A . 2 TRP HH2 1 1
20 4548 1 1 2 TRP HZ2 H -7.161 4.123 11.522 1.00 . A A . 2 TRP HZ2 1 1
20 4549 1 1 2 TRP HZ3 H -3.816 4.650 8.875 1.00 . A A . 2 TRP HZ3 1 1
20 4550 1 1 2 TRP N N -9.485 3.605 5.075 1.00 . A A . 2 TRP N 1 1
20 4551 1 1 2 TRP NE1 N -8.961 4.698 9.375 1.00 . A A . 2 TRP NE1 1 1
20 4552 1 1 2 TRP O O -6.111 3.329 4.345 1.00 . A A . 2 TRP O 1 1
20 4553 1 1 3 ILE C C -6.187 0.389 5.473 1.00 . A A . 3 ILE C 1 1
20 4554 1 1 3 ILE CA C -6.202 1.544 6.475 1.00 . A A . 3 ILE CA 1 1
20 4555 1 1 3 ILE CB C -6.371 1.095 7.929 1.00 . A A . 3 ILE CB 1 1
20 4556 1 1 3 ILE CD1 C -3.920 1.050 8.519 1.00 . A A . 3 ILE CD1 1 1
20 4557 1 1 3 ILE CG1 C -5.197 0.220 8.372 1.00 . A A . 3 ILE CG1 1 1
20 4558 1 1 3 ILE CG2 C -7.717 0.396 8.133 1.00 . A A . 3 ILE CG2 1 1
20 4559 1 1 3 ILE H H -8.070 2.443 6.676 1.00 . A A . 3 ILE H 1 1
20 4560 1 1 3 ILE HA H -5.250 2.071 6.410 1.00 . A A . 3 ILE HA 1 1
20 4561 1 1 3 ILE HB H -6.370 1.981 8.562 1.00 . A A . 3 ILE HB 1 1
20 4562 1 1 3 ILE HD11 H -3.126 0.425 8.930 1.00 . A A . 3 ILE HD11 1 1
20 4563 1 1 3 ILE HD12 H -3.618 1.426 7.543 1.00 . A A . 3 ILE HD12 1 1
20 4564 1 1 3 ILE HD13 H -4.106 1.888 9.191 1.00 . A A . 3 ILE HD13 1 1
20 4565 1 1 3 ILE HG12 H -5.435 -0.260 9.321 1.00 . A A . 3 ILE HG12 1 1
20 4566 1 1 3 ILE HG13 H -5.037 -0.575 7.644 1.00 . A A . 3 ILE HG13 1 1
20 4567 1 1 3 ILE HG21 H -8.511 1.142 8.176 1.00 . A A . 3 ILE HG21 1 1
20 4568 1 1 3 ILE HG22 H -7.903 -0.286 7.302 1.00 . A A . 3 ILE HG22 1 1
20 4569 1 1 3 ILE HG23 H -7.695 -0.167 9.066 1.00 . A A . 3 ILE HG23 1 1
20 4570 1 1 3 ILE N N -7.247 2.484 6.109 1.00 . A A . 3 ILE N 1 1
20 4571 1 1 3 ILE O O -5.145 -0.224 5.243 1.00 . A A . 3 ILE O 1 1
20 4572 1 1 4 GLN C C -6.789 -0.549 2.618 1.00 . A A . 4 GLN C 1 1
20 4573 1 1 4 GLN CA C -7.486 -0.939 3.923 1.00 . A A . 4 GLN CA 1 1
20 4574 1 1 4 GLN CB C -8.957 -1.279 3.678 1.00 . A A . 4 GLN CB 1 1
20 4575 1 1 4 GLN CD C -11.027 -2.237 4.754 1.00 . A A . 4 GLN CD 1 1
20 4576 1 1 4 GLN CG C -9.498 -2.196 4.778 1.00 . A A . 4 GLN CG 1 1
20 4577 1 1 4 GLN H H -8.197 0.626 5.099 1.00 . A A . 4 GLN H 1 1
20 4578 1 1 4 GLN HA H -6.987 -1.802 4.365 1.00 . A A . 4 GLN HA 1 1
20 4579 1 1 4 GLN HB2 H -9.545 -0.363 3.642 1.00 . A A . 4 GLN HB2 1 1
20 4580 1 1 4 GLN HB3 H -9.065 -1.765 2.709 1.00 . A A . 4 GLN HB3 1 1
20 4581 1 1 4 GLN HE21 H -10.918 -4.137 4.064 1.00 . A A . 4 GLN HE21 1 1
20 4582 1 1 4 GLN HE22 H -12.522 -3.518 4.278 1.00 . A A . 4 GLN HE22 1 1
20 4583 1 1 4 GLN HG2 H -9.101 -3.202 4.646 1.00 . A A . 4 GLN HG2 1 1
20 4584 1 1 4 GLN HG3 H -9.156 -1.843 5.751 1.00 . A A . 4 GLN HG3 1 1
20 4585 1 1 4 GLN N N -7.353 0.127 4.903 1.00 . A A . 4 GLN N 1 1
20 4586 1 1 4 GLN NE2 N -11.531 -3.393 4.330 1.00 . A A . 4 GLN NE2 1 1
20 4587 1 1 4 GLN O O -5.981 -1.313 2.090 1.00 . A A . 4 GLN O 1 1
20 4588 1 1 4 GLN OE1 O -11.705 -1.283 5.097 1.00 . A A . 4 GLN OE1 1 1
20 4589 1 1 5 . C C -4.878 1.124 1.187 1.00 . A A . 5 DIV C 1 1
20 4590 1 1 5 . CA C -6.396 1.230 1.028 1.00 . A A . 5 DIV CA 1 1
20 4591 1 1 5 . CB1 C -6.783 0.535 -0.278 1.00 . A A . 5 DIV CB1 1 1
20 4592 1 1 5 . CB2 C -6.761 2.713 0.961 1.00 . A A . 5 DIV CB2 1 1
20 4593 1 1 5 . CG1 C -8.272 0.673 -0.609 1.00 . A A . 5 DIV CG1 1 1
20 4594 1 1 5 . H H -7.880 1.191 2.488 1.00 . A A . 5 DIV H 1 1
20 4595 1 1 5 . HB11 H -6.557 -0.529 -0.203 1.00 . A A . 5 DIV HB11 1 1
20 4596 1 1 5 . HB12 H -6.220 0.968 -1.102 1.00 . A A . 5 DIV HB12 1 1
20 4597 1 1 5 . HB21 H -6.330 3.152 0.061 1.00 . A A . 5 DIV HB21 1 1
20 4598 1 1 5 . HB22 H -7.846 2.818 0.929 1.00 . A A . 5 DIV HB22 1 1
20 4599 1 1 5 . HB23 H -6.372 3.225 1.841 1.00 . A A . 5 DIV HB23 1 1
20 4600 1 1 5 . HG11 H -8.530 -0.013 -1.414 1.00 . A A . 5 DIV HG11 1 1
20 4601 1 1 5 . HG12 H -8.864 0.433 0.274 1.00 . A A . 5 DIV HG12 1 1
20 4602 1 1 5 . HG13 H -8.482 1.695 -0.921 1.00 . A A . 5 DIV HG13 1 1
20 4603 1 1 5 . N N -7.125 0.638 2.136 1.00 . A A . 5 DIV N 1 1
20 4604 1 1 5 . O O -4.180 0.708 0.263 1.00 . A A . 5 DIV O 1 1
20 4605 1 1 6 ILE C C -2.461 0.074 2.608 1.00 . A A . 6 ILE C 1 1
20 4606 1 1 6 ILE CA C -2.984 1.511 2.640 1.00 . A A . 6 ILE CA 1 1
20 4607 1 1 6 ILE CB C -2.693 2.243 3.952 1.00 . A A . 6 ILE CB 1 1
20 4608 1 1 6 ILE CD1 C -2.992 4.497 5.043 1.00 . A A . 6 ILE CD1 1 1
20 4609 1 1 6 ILE CG1 C -2.671 3.758 3.742 1.00 . A A . 6 ILE CG1 1 1
20 4610 1 1 6 ILE CG2 C -1.397 1.734 4.588 1.00 . A A . 6 ILE CG2 1 1
20 4611 1 1 6 ILE H H -4.987 1.815 3.123 1.00 . A A . 6 ILE H 1 1
20 4612 1 1 6 ILE HA H -2.499 2.074 1.843 1.00 . A A . 6 ILE HA 1 1
20 4613 1 1 6 ILE HB H -3.500 2.026 4.651 1.00 . A A . 6 ILE HB 1 1
20 4614 1 1 6 ILE HD11 H -2.435 5.433 5.076 1.00 . A A . 6 ILE HD11 1 1
20 4615 1 1 6 ILE HD12 H -4.061 4.708 5.087 1.00 . A A . 6 ILE HD12 1 1
20 4616 1 1 6 ILE HD13 H -2.709 3.875 5.893 1.00 . A A . 6 ILE HD13 1 1
20 4617 1 1 6 ILE HG12 H -1.690 4.064 3.379 1.00 . A A . 6 ILE HG12 1 1
20 4618 1 1 6 ILE HG13 H -3.395 4.033 2.976 1.00 . A A . 6 ILE HG13 1 1
20 4619 1 1 6 ILE HG21 H -1.553 0.726 4.973 1.00 . A A . 6 ILE HG21 1 1
20 4620 1 1 6 ILE HG22 H -0.607 1.718 3.837 1.00 . A A . 6 ILE HG22 1 1
20 4621 1 1 6 ILE HG23 H -1.110 2.394 5.405 1.00 . A A . 6 ILE HG23 1 1
20 4622 1 1 6 ILE N N -4.411 1.509 2.365 1.00 . A A . 6 ILE N 1 1
20 4623 1 1 6 ILE O O -1.506 -0.227 1.892 1.00 . A A . 6 ILE O 1 1
20 4624 1 1 7 THR C C -2.533 -2.817 2.165 1.00 . A A . 7 THR C 1 1
20 4625 1 1 7 THR CA C -2.660 -2.151 3.537 1.00 . A A . 7 THR CA 1 1
20 4626 1 1 7 THR CB C -3.633 -2.868 4.473 1.00 . A A . 7 THR CB 1 1
20 4627 1 1 7 THR CG2 C -3.240 -4.326 4.720 1.00 . A A . 7 THR CG2 1 1
20 4628 1 1 7 THR H H -3.923 -0.539 3.921 1.00 . A A . 7 THR H 1 1
20 4629 1 1 7 THR HA H -1.665 -2.142 3.982 1.00 . A A . 7 THR HA 1 1
20 4630 1 1 7 THR HB H -4.655 -2.798 4.101 1.00 . A A . 7 THR HB 1 1
20 4631 1 1 7 THR HG1 H -4.106 -2.565 6.395 1.00 . A A . 7 THR HG1 1 1
20 4632 1 1 7 THR HG21 H -3.249 -4.870 3.776 1.00 . A A . 7 THR HG21 1 1
20 4633 1 1 7 THR HG22 H -2.240 -4.365 5.152 1.00 . A A . 7 THR HG22 1 1
20 4634 1 1 7 THR HG23 H -3.951 -4.783 5.410 1.00 . A A . 7 THR HG23 1 1
20 4635 1 1 7 THR N N -3.108 -0.775 3.392 1.00 . A A . 7 THR N 1 1
20 4636 1 1 7 THR O O -1.560 -3.523 1.902 1.00 . A A . 7 THR O 1 1
20 4637 1 1 7 THR OG1 O -3.431 -2.236 5.735 1.00 . A A . 7 THR OG1 1 1
20 4638 1 1 8 ABA C C -2.403 -2.701 -0.886 1.00 . A A . 8 AIB C 1 1
20 4639 1 1 8 ABA CA C -3.558 -3.165 0.003 1.00 . A A . 8 AIB CA 1 1
20 4640 1 1 8 ABA H H -4.305 -1.976 1.542 1.00 . A A . 8 AIB H 1 1
20 4641 1 1 8 ABA N N -3.529 -2.570 1.328 1.00 . A A . 8 AIB N 1 1
20 4642 1 1 8 ABA O O -1.871 -3.480 -1.677 1.00 . A A . 8 AIB O 1 1
20 4643 1 1 9 LEU C C 0.333 -1.012 -1.008 1.00 . A A . 9 LEU C 1 1
20 4644 1 1 9 LEU CA C -1.063 -0.818 -1.600 1.00 . A A . 9 LEU CA 1 1
20 4645 1 1 9 LEU CB C -1.424 0.646 -1.860 1.00 . A A . 9 LEU CB 1 1
20 4646 1 1 9 LEU CD1 C -3.204 2.325 -2.472 1.00 . A A . 9 LEU CD1 1 1
20 4647 1 1 9 LEU CD2 C -2.505 0.543 -4.136 1.00 . A A . 9 LEU CD2 1 1
20 4648 1 1 9 LEU CG C -2.705 0.891 -2.659 1.00 . A A . 9 LEU CG 1 1
20 4649 1 1 9 LEU H H -2.416 -0.836 -0.016 1.00 . A A . 9 LEU H 1 1
20 4650 1 1 9 LEU HA H -1.108 -1.336 -2.559 1.00 . A A . 9 LEU HA 1 1
20 4651 1 1 9 LEU HB2 H -1.516 1.153 -0.899 1.00 . A A . 9 LEU HB2 1 1
20 4652 1 1 9 LEU HB3 H -0.593 1.115 -2.389 1.00 . A A . 9 LEU HB3 1 1
20 4653 1 1 9 LEU HD11 H -3.499 2.474 -1.433 1.00 . A A . 9 LEU HD11 1 1
20 4654 1 1 9 LEU HD12 H -2.405 3.023 -2.725 1.00 . A A . 9 LEU HD12 1 1
20 4655 1 1 9 LEU HD13 H -4.060 2.501 -3.122 1.00 . A A . 9 LEU HD13 1 1
20 4656 1 1 9 LEU HD21 H -3.428 0.734 -4.683 1.00 . A A . 9 LEU HD21 1 1
20 4657 1 1 9 LEU HD22 H -1.704 1.156 -4.548 1.00 . A A . 9 LEU HD22 1 1
20 4658 1 1 9 LEU HD23 H -2.240 -0.511 -4.228 1.00 . A A . 9 LEU HD23 1 1
20 4659 1 1 9 LEU HG H -3.480 0.228 -2.275 1.00 . A A . 9 LEU HG 1 1
20 4660 1 1 9 LEU N N -2.046 -1.435 -0.725 1.00 . A A . 9 LEU N 1 1
20 4661 1 1 9 LEU O O 1.335 -0.826 -1.697 1.00 . A A . 9 LEU O 1 1
20 4662 1 1 10 ABA C C 2.731 -2.125 0.294 1.00 . A A . 10 AIB C 1 1
20 4663 1 1 10 ABA CA C 1.597 -1.397 1.019 1.00 . A A . 10 AIB CA 1 1
20 4664 1 1 10 ABA H H -0.452 -1.676 0.775 1.00 . A A . 10 AIB H 1 1
20 4665 1 1 10 ABA N N 0.356 -1.385 0.264 1.00 . A A . 10 AIB N 1 1
20 4666 1 1 10 ABA O O 3.823 -1.582 0.136 1.00 . A A . 10 AIB O 1 1
20 4667 1 1 11 HYP C C 3.949 -3.886 -1.998 1.00 . A A . 11 HYP C 1 1
20 4668 1 1 11 HYP CA C 3.460 -4.284 -0.603 1.00 . A A . 11 HYP CA 1 1
20 4669 1 1 11 HYP CB C 2.823 -5.663 -0.568 1.00 . A A . 11 HYP CB 1 1
20 4670 1 1 11 HYP CD C 1.088 -3.964 -0.191 1.00 . A A . 11 HYP CD 1 1
20 4671 1 1 11 HYP CG C 1.321 -5.427 -0.530 1.00 . A A . 11 HYP CG 1 1
20 4672 1 1 11 HYP HA H 4.332 -4.224 0.049 1.00 . A A . 11 HYP HA 1 1
20 4673 1 1 11 HYP HB2 H 3.104 -6.246 -1.446 1.00 . A A . 11 HYP HB2 1 1
20 4674 1 1 11 HYP HB3 H 3.152 -6.224 0.305 1.00 . A A . 11 HYP HB3 1 1
20 4675 1 1 11 HYP HD1 H -0.110 -6.539 0.445 1.00 . A A . 11 HYP HD1 1 1
20 4676 1 1 11 HYP HD22 H 0.472 -3.475 -0.948 1.00 . A A . 11 HYP HD22 1 1
20 4677 1 1 11 HYP HD23 H 0.569 -3.856 0.760 1.00 . A A . 11 HYP HD23 1 1
20 4678 1 1 11 HYP HG H 0.836 -5.713 -1.464 1.00 . A A . 11 HYP HG 1 1
20 4679 1 1 11 HYP N N 2.424 -3.379 -0.137 1.00 . A A . 11 HYP N 1 1
20 4680 1 1 11 HYP O O 4.983 -4.367 -2.458 1.00 . A A . 11 HYP O 1 1
20 4681 1 1 11 HYP OD1 O 0.813 -6.203 0.636 1.00 . A A . 11 HYP OD1 1 1
20 4682 1 1 12 GLN C C 4.396 -1.442 -4.066 1.00 . A A . 12 GLN C 1 1
20 4683 1 1 12 GLN CA C 3.449 -2.642 -4.011 1.00 . A A . 12 GLN CA 1 1
20 4684 1 1 12 GLN CB C 2.149 -2.350 -4.762 1.00 . A A . 12 GLN CB 1 1
20 4685 1 1 12 GLN CD C -0.061 -3.292 -5.530 1.00 . A A . 12 GLN CD 1 1
20 4686 1 1 12 GLN CG C 1.279 -3.605 -4.861 1.00 . A A . 12 GLN CG 1 1
20 4687 1 1 12 GLN H H 2.392 -2.556 -2.218 1.00 . A A . 12 GLN H 1 1
20 4688 1 1 12 GLN HA H 3.930 -3.514 -4.455 1.00 . A A . 12 GLN HA 1 1
20 4689 1 1 12 GLN HB2 H 1.599 -1.561 -4.250 1.00 . A A . 12 GLN HB2 1 1
20 4690 1 1 12 GLN HB3 H 2.377 -1.981 -5.762 1.00 . A A . 12 GLN HB3 1 1
20 4691 1 1 12 GLN HE21 H 0.783 -3.728 -7.318 1.00 . A A . 12 GLN HE21 1 1
20 4692 1 1 12 GLN HE22 H -0.882 -3.255 -7.381 1.00 . A A . 12 GLN HE22 1 1
20 4693 1 1 12 GLN HG2 H 1.805 -4.371 -5.432 1.00 . A A . 12 GLN HG2 1 1
20 4694 1 1 12 GLN HG3 H 1.106 -4.012 -3.865 1.00 . A A . 12 GLN HG3 1 1
20 4695 1 1 12 GLN N N 3.182 -3.011 -2.631 1.00 . A A . 12 GLN N 1 1
20 4696 1 1 12 GLN NE2 N -0.052 -3.437 -6.852 1.00 . A A . 12 GLN NE2 1 1
20 4697 1 1 12 GLN O O 5.164 -1.295 -5.016 1.00 . A A . 12 GLN O 1 1
20 4698 1 1 12 GLN OE1 O -1.037 -2.942 -4.889 1.00 . A A . 12 GLN OE1 1 1
20 4699 1 1 13 ABA C C 6.441 0.609 -3.424 1.00 . A A . 13 AIB C 1 1
20 4700 1 1 13 ABA CA C 4.956 0.689 -3.066 1.00 . A A . 13 AIB CA 1 1
20 4701 1 1 13 ABA H H 3.810 -0.816 -2.195 1.00 . A A . 13 AIB H 1 1
20 4702 1 1 13 ABA N N 4.310 -0.612 -3.037 1.00 . A A . 13 AIB N 1 1
20 4703 1 1 13 ABA O O 6.903 1.300 -4.332 1.00 . A A . 13 AIB O 1 1
20 4704 1 1 14 HYP C C 9.179 -0.821 -3.973 1.00 . A A . 14 HYP C 1 1
20 4705 1 1 14 HYP CA C 8.620 -0.223 -2.679 1.00 . A A . 14 HYP CA 1 1
20 4706 1 1 14 HYP CB C 9.039 -0.996 -1.440 1.00 . A A . 14 HYP CB 1 1
20 4707 1 1 14 HYP CD C 6.627 -1.299 -1.801 1.00 . A A . 14 HYP CD 1 1
20 4708 1 1 14 HYP CG C 7.832 -1.829 -1.041 1.00 . A A . 14 HYP CG 1 1
20 4709 1 1 14 HYP HA H 8.970 0.808 -2.650 1.00 . A A . 14 HYP HA 1 1
20 4710 1 1 14 HYP HB2 H 9.900 -1.632 -1.647 1.00 . A A . 14 HYP HB2 1 1
20 4711 1 1 14 HYP HB3 H 9.330 -0.319 -0.636 1.00 . A A . 14 HYP HB3 1 1
20 4712 1 1 14 HYP HD1 H 7.835 -2.303 0.963 1.00 . A A . 14 HYP HD1 1 1
20 4713 1 1 14 HYP HD22 H 6.144 -2.088 -2.377 1.00 . A A . 14 HYP HD22 1 1
20 4714 1 1 14 HYP HD23 H 5.877 -0.895 -1.122 1.00 . A A . 14 HYP HD23 1 1
20 4715 1 1 14 HYP HG H 7.990 -2.893 -1.214 1.00 . A A . 14 HYP HG 1 1
20 4716 1 1 14 HYP N N 7.168 -0.261 -2.673 1.00 . A A . 14 HYP N 1 1
20 4717 1 1 14 HYP O O 10.289 -0.490 -4.385 1.00 . A A . 14 HYP O 1 1
20 4718 1 1 14 HYP OD1 O 7.577 -1.521 0.395 1.00 . A A . 14 HYP OD1 1 1
20 4719 1 1 15 ABA C C 9.845 -2.042 -6.559 1.00 . A A . 15 AIB C 1 1
20 4720 1 1 15 ABA CA C 8.913 -2.663 -5.517 1.00 . A A . 15 AIB CA 1 1
20 4721 1 1 15 ABA H H 7.394 -1.738 -4.433 1.00 . A A . 15 AIB H 1 1
20 4722 1 1 15 ABA N N 8.382 -1.691 -4.577 1.00 . A A . 15 AIB N 1 1
20 4723 1 1 15 ABA O O 10.991 -2.464 -6.704 1.00 . A A . 15 AIB O 1 1
20 4724 1 1 16 PRO C C 11.179 0.285 -8.186 1.00 . A A . 16 PRO C 1 1
20 4725 1 1 16 PRO CA C 9.934 -0.548 -8.497 1.00 . A A . 16 PRO CA 1 1
20 4726 1 1 16 PRO CB C 8.854 0.245 -9.215 1.00 . A A . 16 PRO CB 1 1
20 4727 1 1 16 PRO CD C 8.083 -0.292 -6.944 1.00 . A A . 16 PRO CD 1 1
20 4728 1 1 16 PRO CG C 7.810 0.578 -8.161 1.00 . A A . 16 PRO CG 1 1
20 4729 1 1 16 PRO HA H 10.252 -1.322 -9.045 1.00 . A A . 16 PRO HA 1 1
20 4730 1 1 16 PRO HB2 H 9.264 1.151 -9.658 1.00 . A A . 16 PRO HB2 1 1
20 4731 1 1 16 PRO HB3 H 8.417 -0.337 -10.026 1.00 . A A . 16 PRO HB3 1 1
20 4732 1 1 16 PRO HD2 H 8.215 0.313 -6.047 1.00 . A A . 16 PRO HD2 1 1
20 4733 1 1 16 PRO HD3 H 7.256 -0.973 -6.750 1.00 . A A . 16 PRO HD3 1 1
20 4734 1 1 16 PRO HG2 H 7.861 1.634 -7.894 1.00 . A A . 16 PRO HG2 1 1
20 4735 1 1 16 PRO HG3 H 6.807 0.392 -8.545 1.00 . A A . 16 PRO HG3 1 1
20 4736 1 1 16 PRO N N 9.305 -1.021 -7.275 1.00 . A A . 16 PRO N 1 1
20 4737 1 1 16 PRO O O 11.984 0.559 -9.073 1.00 . A A . 16 PRO O 1 1
20 4738 1 1 17 PHL C C 13.502 0.663 -5.832 1.00 . A A . 17 PHL C 1 1
20 4739 1 1 17 PHL CA C 12.405 1.501 -6.491 1.00 . A A . 17 PHL CA 1 1
20 4740 1 1 17 PHL CB C 11.846 2.487 -5.463 1.00 . A A . 17 PHL CB 1 1
20 4741 1 1 17 PHL CD1 C 10.876 4.296 -6.898 1.00 . A A . 17 PHL CD1 1 1
20 4742 1 1 17 PHL CD2 C 9.414 3.080 -5.509 1.00 . A A . 17 PHL CD2 1 1
20 4743 1 1 17 PHL CE1 C 9.783 5.069 -7.373 1.00 . A A . 17 PHL CE1 1 1
20 4744 1 1 17 PHL CE2 C 8.320 3.852 -5.985 1.00 . A A . 17 PHL CE2 1 1
20 4745 1 1 17 PHL CG C 10.668 3.319 -5.976 1.00 . A A . 17 PHL CG 1 1
20 4746 1 1 17 PHL CZ C 8.529 4.831 -6.907 1.00 . A A . 17 PHL CZ 1 1
20 4747 1 1 17 PHL H2 H 10.656 0.407 -6.198 1.00 . A A . 17 PHL H2 1 1
20 4748 1 1 17 PHL HA H 12.806 1.988 -7.380 1.00 . A A . 17 PHL HA 1 1
20 4749 1 1 17 PHL HB2 H 11.529 1.935 -4.579 1.00 . A A . 17 PHL HB2 1 1
20 4750 1 1 17 PHL HB3 H 12.643 3.160 -5.150 1.00 . A A . 17 PHL HB3 1 1
20 4751 1 1 17 PHL HC1 H 13.834 -0.102 -6.534 1.00 . A A . 17 PHL HC1 1 1
20 4752 1 1 17 PHL HC2 H 13.099 0.195 -4.933 1.00 . A A . 17 PHL HC2 1 1
20 4753 1 1 17 PHL HD1 H 11.882 4.488 -7.272 1.00 . A A . 17 PHL HD1 1 1
20 4754 1 1 17 PHL HD2 H 9.246 2.297 -4.770 1.00 . A A . 17 PHL HD2 1 1
20 4755 1 1 17 PHL HE1 H 9.950 5.853 -8.112 1.00 . A A . 17 PHL HE1 1 1
20 4756 1 1 17 PHL HE2 H 7.314 3.661 -5.610 1.00 . A A . 17 PHL HE2 1 1
20 4757 1 1 17 PHL HO H 15.153 1.703 -6.274 1.00 . A A . 17 PHL HO 1 1
20 4758 1 1 17 PHL HZ H 7.690 5.423 -7.271 1.00 . A A . 17 PHL HZ 1 1
20 4759 1 1 17 PHL N N 11.297 0.663 -6.921 1.00 . A A . 17 PHL N 1 1
20 4760 1 1 17 PHL O O 14.627 1.454 -5.462 1.00 . A A . 17 PHL O 1 1
21 4761 1 1 1 ACE C C -9.787 2.702 4.074 1.00 . A A . 1 ACE C 1 1
21 4762 1 1 1 ACE CH3 C -11.156 2.216 4.401 1.00 . A A . 1 ACE CH3 1 1
21 4763 1 1 1 ACE H1 H -11.785 3.062 4.679 1.00 . A A . 1 ACE H1 1 1
21 4764 1 1 1 ACE H2 H -11.583 1.717 3.531 1.00 . A A . 1 ACE H2 1 1
21 4765 1 1 1 ACE H3 H -11.104 1.514 5.233 1.00 . A A . 1 ACE H3 1 1
21 4766 1 1 1 ACE O O -9.150 2.199 3.148 1.00 . A A . 1 ACE O 1 1
21 4767 1 1 2 TRP C C -7.007 3.087 4.959 1.00 . A A . 2 TRP C 1 1
21 4768 1 1 2 TRP CA C -8.000 4.216 4.678 1.00 . A A . 2 TRP CA 1 1
21 4769 1 1 2 TRP CB C -7.781 5.440 5.571 1.00 . A A . 2 TRP CB 1 1
21 4770 1 1 2 TRP CD1 C -6.267 7.077 4.271 1.00 . A A . 2 TRP CD1 1 1
21 4771 1 1 2 TRP CD2 C -5.259 6.145 6.010 1.00 . A A . 2 TRP CD2 1 1
21 4772 1 1 2 TRP CE2 C -4.347 6.989 5.408 1.00 . A A . 2 TRP CE2 1 1
21 4773 1 1 2 TRP CE3 C -4.922 5.397 7.152 1.00 . A A . 2 TRP CE3 1 1
21 4774 1 1 2 TRP CG C -6.494 6.209 5.267 1.00 . A A . 2 TRP CG 1 1
21 4775 1 1 2 TRP CH2 C -2.682 6.432 7.015 1.00 . A A . 2 TRP CH2 1 1
21 4776 1 1 2 TRP CZ2 C -3.040 7.167 5.878 1.00 . A A . 2 TRP CZ2 1 1
21 4777 1 1 2 TRP CZ3 C -3.612 5.586 7.609 1.00 . A A . 2 TRP CZ3 1 1
21 4778 1 1 2 TRP H H -9.881 4.116 5.567 1.00 . A A . 2 TRP H 1 1
21 4779 1 1 2 TRP HA H -7.899 4.553 3.647 1.00 . A A . 2 TRP HA 1 1
21 4780 1 1 2 TRP HB2 H -8.631 6.114 5.459 1.00 . A A . 2 TRP HB2 1 1
21 4781 1 1 2 TRP HB3 H -7.763 5.119 6.612 1.00 . A A . 2 TRP HB3 1 1
21 4782 1 1 2 TRP HD1 H -7.006 7.355 3.519 1.00 . A A . 2 TRP HD1 1 1
21 4783 1 1 2 TRP HE1 H -4.541 8.293 3.626 1.00 . A A . 2 TRP HE1 1 1
21 4784 1 1 2 TRP HE3 H -5.622 4.724 7.645 1.00 . A A . 2 TRP HE3 1 1
21 4785 1 1 2 TRP HH2 H -1.679 6.523 7.432 1.00 . A A . 2 TRP HH2 1 1
21 4786 1 1 2 TRP HZ2 H -2.340 7.840 5.385 1.00 . A A . 2 TRP HZ2 1 1
21 4787 1 1 2 TRP HZ3 H -3.298 5.029 8.492 1.00 . A A . 2 TRP HZ3 1 1
21 4788 1 1 2 TRP N N -9.343 3.685 4.843 1.00 . A A . 2 TRP N 1 1
21 4789 1 1 2 TRP NE1 N -4.980 7.574 4.318 1.00 . A A . 2 TRP NE1 1 1
21 4790 1 1 2 TRP O O -6.034 2.915 4.227 1.00 . A A . 2 TRP O 1 1
21 4791 1 1 3 ILE C C -6.309 0.229 5.328 1.00 . A A . 3 ILE C 1 1
21 4792 1 1 3 ILE CA C -6.400 1.273 6.441 1.00 . A A . 3 ILE CA 1 1
21 4793 1 1 3 ILE CB C -6.852 0.701 7.786 1.00 . A A . 3 ILE CB 1 1
21 4794 1 1 3 ILE CD1 C -4.508 0.605 8.711 1.00 . A A . 3 ILE CD1 1 1
21 4795 1 1 3 ILE CG1 C -5.770 -0.197 8.391 1.00 . A A . 3 ILE CG1 1 1
21 4796 1 1 3 ILE CG2 C -8.192 -0.027 7.651 1.00 . A A . 3 ILE CG2 1 1
21 4797 1 1 3 ILE H H -8.099 2.470 6.591 1.00 . A A . 3 ILE H 1 1
21 4798 1 1 3 ILE HA H -5.412 1.707 6.592 1.00 . A A . 3 ILE HA 1 1
21 4799 1 1 3 ILE HB H -7.005 1.530 8.477 1.00 . A A . 3 ILE HB 1 1
21 4800 1 1 3 ILE HD11 H -3.935 0.088 9.480 1.00 . A A . 3 ILE HD11 1 1
21 4801 1 1 3 ILE HD12 H -3.902 0.704 7.811 1.00 . A A . 3 ILE HD12 1 1
21 4802 1 1 3 ILE HD13 H -4.789 1.595 9.071 1.00 . A A . 3 ILE HD13 1 1
21 4803 1 1 3 ILE HG12 H -6.148 -0.666 9.299 1.00 . A A . 3 ILE HG12 1 1
21 4804 1 1 3 ILE HG13 H -5.528 -1.000 7.694 1.00 . A A . 3 ILE HG13 1 1
21 4805 1 1 3 ILE HG21 H -8.057 -0.926 7.049 1.00 . A A . 3 ILE HG21 1 1
21 4806 1 1 3 ILE HG22 H -8.557 -0.303 8.640 1.00 . A A . 3 ILE HG22 1 1
21 4807 1 1 3 ILE HG23 H -8.914 0.630 7.166 1.00 . A A . 3 ILE HG23 1 1
21 4808 1 1 3 ILE N N -7.287 2.346 6.023 1.00 . A A . 3 ILE N 1 1
21 4809 1 1 3 ILE O O -5.257 -0.373 5.121 1.00 . A A . 3 ILE O 1 1
21 4810 1 1 4 GLN C C -6.685 -0.450 2.358 1.00 . A A . 4 GLN C 1 1
21 4811 1 1 4 GLN CA C -7.492 -0.932 3.565 1.00 . A A . 4 GLN CA 1 1
21 4812 1 1 4 GLN CB C -8.943 -1.221 3.175 1.00 . A A . 4 GLN CB 1 1
21 4813 1 1 4 GLN CD C -11.117 -2.215 3.980 1.00 . A A . 4 GLN CD 1 1
21 4814 1 1 4 GLN CG C -9.600 -2.176 4.174 1.00 . A A . 4 GLN CG 1 1
21 4815 1 1 4 GLN H H -8.274 0.551 4.802 1.00 . A A . 4 GLN H 1 1
21 4816 1 1 4 GLN HA H -7.044 -1.838 3.972 1.00 . A A . 4 GLN HA 1 1
21 4817 1 1 4 GLN HB2 H -9.505 -0.287 3.135 1.00 . A A . 4 GLN HB2 1 1
21 4818 1 1 4 GLN HB3 H -8.976 -1.655 2.176 1.00 . A A . 4 GLN HB3 1 1
21 4819 1 1 4 GLN HE21 H -10.999 -4.229 3.826 1.00 . A A . 4 GLN HE21 1 1
21 4820 1 1 4 GLN HE22 H -12.592 -3.568 3.680 1.00 . A A . 4 GLN HE22 1 1
21 4821 1 1 4 GLN HG2 H -9.187 -3.177 4.050 1.00 . A A . 4 GLN HG2 1 1
21 4822 1 1 4 GLN HG3 H -9.367 -1.860 5.191 1.00 . A A . 4 GLN HG3 1 1
21 4823 1 1 4 GLN N N -7.426 0.046 4.638 1.00 . A A . 4 GLN N 1 1
21 4824 1 1 4 GLN NE2 N -11.610 -3.439 3.815 1.00 . A A . 4 GLN NE2 1 1
21 4825 1 1 4 GLN O O -5.868 -1.194 1.816 1.00 . A A . 4 GLN O 1 1
21 4826 1 1 4 GLN OE1 O -11.794 -1.199 3.979 1.00 . A A . 4 GLN OE1 1 1
21 4827 1 1 5 . C C -4.645 1.273 1.145 1.00 . A A . 5 DIV C 1 1
21 4828 1 1 5 . CA C -6.153 1.430 0.933 1.00 . A A . 5 DIV CA 1 1
21 4829 1 1 5 . CB1 C -6.504 0.827 -0.428 1.00 . A A . 5 DIV CB1 1 1
21 4830 1 1 5 . CB2 C -6.478 2.924 0.943 1.00 . A A . 5 DIV CB2 1 1
21 4831 1 1 5 . CG1 C -7.975 1.016 -0.804 1.00 . A A . 5 DIV CG1 1 1
21 4832 1 1 5 . H H -7.672 1.356 2.355 1.00 . A A . 5 DIV H 1 1
21 4833 1 1 5 . HB11 H -6.300 -0.244 -0.413 1.00 . A A . 5 DIV HB11 1 1
21 4834 1 1 5 . HB12 H -5.900 1.299 -1.203 1.00 . A A . 5 DIV HB12 1 1
21 4835 1 1 5 . HB21 H -7.559 3.058 0.908 1.00 . A A . 5 DIV HB21 1 1
21 4836 1 1 5 . HB22 H -6.087 3.373 1.858 1.00 . A A . 5 DIV HB22 1 1
21 4837 1 1 5 . HB23 H -6.021 3.403 0.079 1.00 . A A . 5 DIV HB23 1 1
21 4838 1 1 5 . HG11 H -8.150 2.057 -1.073 1.00 . A A . 5 DIV HG11 1 1
21 4839 1 1 5 . HG12 H -8.219 0.376 -1.652 1.00 . A A . 5 DIV HG12 1 1
21 4840 1 1 5 . HG13 H -8.604 0.750 0.045 1.00 . A A . 5 DIV HG13 1 1
21 4841 1 1 5 . N N -6.942 0.791 1.972 1.00 . A A . 5 DIV N 1 1
21 4842 1 1 5 . O O -3.921 0.897 0.225 1.00 . A A . 5 DIV O 1 1
21 4843 1 1 6 ILE C C -2.312 0.089 2.675 1.00 . A A . 6 ILE C 1 1
21 4844 1 1 6 ILE CA C -2.803 1.538 2.689 1.00 . A A . 6 ILE CA 1 1
21 4845 1 1 6 ILE CB C -2.540 2.264 4.010 1.00 . A A . 6 ILE CB 1 1
21 4846 1 1 6 ILE CD1 C -3.348 4.508 3.189 1.00 . A A . 6 ILE CD1 1 1
21 4847 1 1 6 ILE CG1 C -2.165 3.727 3.767 1.00 . A A . 6 ILE CG1 1 1
21 4848 1 1 6 ILE CG2 C -1.483 1.531 4.837 1.00 . A A . 6 ILE CG2 1 1
21 4849 1 1 6 ILE H H -4.820 1.825 3.120 1.00 . A A . 6 ILE H 1 1
21 4850 1 1 6 ILE HA H -2.277 2.089 1.909 1.00 . A A . 6 ILE HA 1 1
21 4851 1 1 6 ILE HB H -3.463 2.260 4.591 1.00 . A A . 6 ILE HB 1 1
21 4852 1 1 6 ILE HD11 H -4.185 4.467 3.887 1.00 . A A . 6 ILE HD11 1 1
21 4853 1 1 6 ILE HD12 H -3.056 5.545 3.031 1.00 . A A . 6 ILE HD12 1 1
21 4854 1 1 6 ILE HD13 H -3.647 4.065 2.239 1.00 . A A . 6 ILE HD13 1 1
21 4855 1 1 6 ILE HG12 H -1.846 4.184 4.704 1.00 . A A . 6 ILE HG12 1 1
21 4856 1 1 6 ILE HG13 H -1.320 3.781 3.081 1.00 . A A . 6 ILE HG13 1 1
21 4857 1 1 6 ILE HG21 H -0.592 1.371 4.229 1.00 . A A . 6 ILE HG21 1 1
21 4858 1 1 6 ILE HG22 H -1.225 2.130 5.710 1.00 . A A . 6 ILE HG22 1 1
21 4859 1 1 6 ILE HG23 H -1.879 0.568 5.162 1.00 . A A . 6 ILE HG23 1 1
21 4860 1 1 6 ILE N N -4.218 1.568 2.364 1.00 . A A . 6 ILE N 1 1
21 4861 1 1 6 ILE O O -1.259 -0.208 2.113 1.00 . A A . 6 ILE O 1 1
21 4862 1 1 7 THR C C -2.522 -2.806 2.057 1.00 . A A . 7 THR C 1 1
21 4863 1 1 7 THR CA C -2.719 -2.170 3.435 1.00 . A A . 7 THR CA 1 1
21 4864 1 1 7 THR CB C -3.785 -2.871 4.280 1.00 . A A . 7 THR CB 1 1
21 4865 1 1 7 THR CG2 C -3.545 -4.377 4.395 1.00 . A A . 7 THR CG2 1 1
21 4866 1 1 7 THR H H -3.980 -0.535 3.707 1.00 . A A . 7 THR H 1 1
21 4867 1 1 7 THR HA H -1.759 -2.217 3.949 1.00 . A A . 7 THR HA 1 1
21 4868 1 1 7 THR HB H -4.785 -2.664 3.896 1.00 . A A . 7 THR HB 1 1
21 4869 1 1 7 THR HG1 H -3.882 -1.438 5.674 1.00 . A A . 7 THR HG1 1 1
21 4870 1 1 7 THR HG21 H -4.276 -4.811 5.078 1.00 . A A . 7 THR HG21 1 1
21 4871 1 1 7 THR HG22 H -3.648 -4.838 3.412 1.00 . A A . 7 THR HG22 1 1
21 4872 1 1 7 THR HG23 H -2.540 -4.557 4.776 1.00 . A A . 7 THR HG23 1 1
21 4873 1 1 7 THR N N -3.099 -0.775 3.299 1.00 . A A . 7 THR N 1 1
21 4874 1 1 7 THR O O -1.572 -3.559 1.847 1.00 . A A . 7 THR O 1 1
21 4875 1 1 7 THR OG1 O -3.559 -2.382 5.599 1.00 . A A . 7 THR OG1 1 1
21 4876 1 1 8 ABA C C -2.172 -2.506 -0.988 1.00 . A A . 8 AIB C 1 1
21 4877 1 1 8 ABA CA C -3.377 -3.014 -0.195 1.00 . A A . 8 AIB CA 1 1
21 4878 1 1 8 ABA H H -4.202 -1.864 1.332 1.00 . A A . 8 AIB H 1 1
21 4879 1 1 8 ABA N N -3.435 -2.480 1.154 1.00 . A A . 8 AIB N 1 1
21 4880 1 1 8 ABA O O -1.623 -3.226 -1.821 1.00 . A A . 8 AIB O 1 1
21 4881 1 1 9 LEU C C 0.614 -0.945 -0.816 1.00 . A A . 9 LEU C 1 1
21 4882 1 1 9 LEU CA C -0.738 -0.615 -1.454 1.00 . A A . 9 LEU CA 1 1
21 4883 1 1 9 LEU CB C -1.012 0.886 -1.571 1.00 . A A . 9 LEU CB 1 1
21 4884 1 1 9 LEU CD1 C -2.565 2.756 -2.242 1.00 . A A . 9 LEU CD1 1 1
21 4885 1 1 9 LEU CD2 C -1.943 0.952 -3.913 1.00 . A A . 9 LEU CD2 1 1
21 4886 1 1 9 LEU CG C -2.205 1.283 -2.443 1.00 . A A . 9 LEU CG 1 1
21 4887 1 1 9 LEU H H -2.200 -0.715 0.027 1.00 . A A . 9 LEU H 1 1
21 4888 1 1 9 LEU HA H -0.753 -1.025 -2.463 1.00 . A A . 9 LEU HA 1 1
21 4889 1 1 9 LEU HB2 H -1.170 1.286 -0.569 1.00 . A A . 9 LEU HB2 1 1
21 4890 1 1 9 LEU HB3 H -0.120 1.368 -1.970 1.00 . A A . 9 LEU HB3 1 1
21 4891 1 1 9 LEU HD11 H -3.444 3.001 -2.839 1.00 . A A . 9 LEU HD11 1 1
21 4892 1 1 9 LEU HD12 H -2.779 2.937 -1.189 1.00 . A A . 9 LEU HD12 1 1
21 4893 1 1 9 LEU HD13 H -1.727 3.381 -2.555 1.00 . A A . 9 LEU HD13 1 1
21 4894 1 1 9 LEU HD21 H -2.665 1.478 -4.539 1.00 . A A . 9 LEU HD21 1 1
21 4895 1 1 9 LEU HD22 H -0.935 1.265 -4.182 1.00 . A A . 9 LEU HD22 1 1
21 4896 1 1 9 LEU HD23 H -2.044 -0.122 -4.068 1.00 . A A . 9 LEU HD23 1 1
21 4897 1 1 9 LEU HG H -3.068 0.695 -2.130 1.00 . A A . 9 LEU HG 1 1
21 4898 1 1 9 LEU N N -1.795 -1.268 -0.702 1.00 . A A . 9 LEU N 1 1
21 4899 1 1 9 LEU O O 1.654 -0.819 -1.459 1.00 . A A . 9 LEU O 1 1
21 4900 1 1 10 ABA C C 2.877 -2.242 0.544 1.00 . A A . 10 AIB C 1 1
21 4901 1 1 10 ABA CA C 1.756 -1.476 1.249 1.00 . A A . 10 AIB CA 1 1
21 4902 1 1 10 ABA H H -0.295 -1.610 0.907 1.00 . A A . 10 AIB H 1 1
21 4903 1 1 10 ABA N N 0.554 -1.358 0.441 1.00 . A A . 10 AIB N 1 1
21 4904 1 1 10 ABA O O 4.002 -1.754 0.449 1.00 . A A . 10 AIB O 1 1
21 4905 1 1 11 HYP C C 4.009 -3.928 -1.845 1.00 . A A . 11 HYP C 1 1
21 4906 1 1 11 HYP CA C 3.520 -4.377 -0.467 1.00 . A A . 11 HYP CA 1 1
21 4907 1 1 11 HYP CB C 2.833 -5.733 -0.492 1.00 . A A . 11 HYP CB 1 1
21 4908 1 1 11 HYP CD C 1.165 -3.994 -0.014 1.00 . A A . 11 HYP CD 1 1
21 4909 1 1 11 HYP CG C 1.342 -5.446 -0.427 1.00 . A A . 11 HYP CG 1 1
21 4910 1 1 11 HYP HA H 4.399 -4.381 0.178 1.00 . A A . 11 HYP HA 1 1
21 4911 1 1 11 HYP HB2 H 3.086 -6.281 -1.400 1.00 . A A . 11 HYP HB2 1 1
21 4912 1 1 11 HYP HB3 H 3.151 -6.348 0.350 1.00 . A A . 11 HYP HB3 1 1
21 4913 1 1 11 HYP HD1 H 1.306 -6.030 1.548 1.00 . A A . 11 HYP HD1 1 1
21 4914 1 1 11 HYP HD22 H 0.560 -3.447 -0.738 1.00 . A A . 11 HYP HD22 1 1
21 4915 1 1 11 HYP HD23 H 0.659 -3.914 0.949 1.00 . A A . 11 HYP HD23 1 1
21 4916 1 1 11 HYP HG H 0.839 -5.669 -1.367 1.00 . A A . 11 HYP HG 1 1
21 4917 1 1 11 HYP N N 2.521 -3.460 0.055 1.00 . A A . 11 HYP N 1 1
21 4918 1 1 11 HYP O O 5.028 -4.416 -2.335 1.00 . A A . 11 HYP O 1 1
21 4919 1 1 11 HYP OD1 O 0.817 -6.259 0.706 1.00 . A A . 11 HYP OD1 1 1
21 4920 1 1 12 GLN C C 4.444 -1.404 -3.856 1.00 . A A . 12 GLN C 1 1
21 4921 1 1 12 GLN CA C 3.504 -2.610 -3.809 1.00 . A A . 12 GLN CA 1 1
21 4922 1 1 12 GLN CB C 2.191 -2.311 -4.534 1.00 . A A . 12 GLN CB 1 1
21 4923 1 1 12 GLN CD C 0.403 -3.557 -5.802 1.00 . A A . 12 GLN CD 1 1
21 4924 1 1 12 GLN CG C 1.280 -3.540 -4.549 1.00 . A A . 12 GLN CG 1 1
21 4925 1 1 12 GLN H H 2.502 -2.533 -1.984 1.00 . A A . 12 GLN H 1 1
21 4926 1 1 12 GLN HA H 3.983 -3.471 -4.278 1.00 . A A . 12 GLN HA 1 1
21 4927 1 1 12 GLN HB2 H 1.681 -1.483 -4.042 1.00 . A A . 12 GLN HB2 1 1
21 4928 1 1 12 GLN HB3 H 2.399 -1.995 -5.556 1.00 . A A . 12 GLN HB3 1 1
21 4929 1 1 12 GLN HE21 H 0.463 -5.580 -5.760 1.00 . A A . 12 GLN HE21 1 1
21 4930 1 1 12 GLN HE22 H -0.456 -4.894 -7.057 1.00 . A A . 12 GLN HE22 1 1
21 4931 1 1 12 GLN HG2 H 1.886 -4.446 -4.512 1.00 . A A . 12 GLN HG2 1 1
21 4932 1 1 12 GLN HG3 H 0.650 -3.542 -3.660 1.00 . A A . 12 GLN HG3 1 1
21 4933 1 1 12 GLN N N 3.261 -3.006 -2.432 1.00 . A A . 12 GLN N 1 1
21 4934 1 1 12 GLN NE2 N 0.113 -4.778 -6.244 1.00 . A A . 12 GLN NE2 1 1
21 4935 1 1 12 GLN O O 5.145 -1.197 -4.846 1.00 . A A . 12 GLN O 1 1
21 4936 1 1 12 GLN OE1 O 0.016 -2.530 -6.334 1.00 . A A . 12 GLN OE1 1 1
21 4937 1 1 13 ABA C C 6.592 0.522 -3.180 1.00 . A A . 13 AIB C 1 1
21 4938 1 1 13 ABA CA C 5.129 0.634 -2.747 1.00 . A A . 13 AIB CA 1 1
21 4939 1 1 13 ABA H H 3.952 -0.877 -1.928 1.00 . A A . 13 AIB H 1 1
21 4940 1 1 13 ABA N N 4.429 -0.640 -2.774 1.00 . A A . 13 AIB N 1 1
21 4941 1 1 13 ABA O O 7.041 1.255 -4.058 1.00 . A A . 13 AIB O 1 1
21 4942 1 1 14 HYP C C 9.179 -1.049 -4.000 1.00 . A A . 14 HYP C 1 1
21 4943 1 1 14 HYP CA C 8.759 -0.481 -2.642 1.00 . A A . 14 HYP CA 1 1
21 4944 1 1 14 HYP CB C 9.218 -1.337 -1.473 1.00 . A A . 14 HYP CB 1 1
21 4945 1 1 14 HYP CD C 6.771 -1.471 -1.660 1.00 . A A . 14 HYP CD 1 1
21 4946 1 1 14 HYP CG C 7.991 -2.112 -1.018 1.00 . A A . 14 HYP CG 1 1
21 4947 1 1 14 HYP HA H 9.178 0.525 -2.594 1.00 . A A . 14 HYP HA 1 1
21 4948 1 1 14 HYP HB2 H 10.017 -2.014 -1.774 1.00 . A A . 14 HYP HB2 1 1
21 4949 1 1 14 HYP HB3 H 9.611 -0.719 -0.666 1.00 . A A . 14 HYP HB3 1 1
21 4950 1 1 14 HYP HD1 H 7.822 -0.873 0.618 1.00 . A A . 14 HYP HD1 1 1
21 4951 1 1 14 HYP HD22 H 6.196 -2.200 -2.230 1.00 . A A . 14 HYP HD22 1 1
21 4952 1 1 14 HYP HD23 H 6.101 -1.054 -0.908 1.00 . A A . 14 HYP HD23 1 1
21 4953 1 1 14 HYP HG H 8.066 -3.174 -1.250 1.00 . A A . 14 HYP HG 1 1
21 4954 1 1 14 HYP N N 7.312 -0.427 -2.525 1.00 . A A . 14 HYP N 1 1
21 4955 1 1 14 HYP O O 10.261 -0.739 -4.498 1.00 . A A . 14 HYP O 1 1
21 4956 1 1 14 HYP OD1 O 7.864 -1.858 0.445 1.00 . A A . 14 HYP OD1 1 1
21 4957 1 1 15 ABA C C 9.503 -2.166 -6.717 1.00 . A A . 15 AIB C 1 1
21 4958 1 1 15 ABA CA C 8.711 -2.817 -5.582 1.00 . A A . 15 AIB CA 1 1
21 4959 1 1 15 ABA H H 7.331 -1.894 -4.324 1.00 . A A . 15 AIB H 1 1
21 4960 1 1 15 ABA N N 8.303 -1.870 -4.558 1.00 . A A . 15 AIB N 1 1
21 4961 1 1 15 ABA O O 10.614 -2.592 -7.029 1.00 . A A . 15 AIB O 1 1
21 4962 1 1 16 PRO C C 10.652 0.310 -8.260 1.00 . A A . 16 PRO C 1 1
21 4963 1 1 16 PRO CA C 9.412 -0.540 -8.545 1.00 . A A . 16 PRO CA 1 1
21 4964 1 1 16 PRO CB C 8.262 0.264 -9.129 1.00 . A A . 16 PRO CB 1 1
21 4965 1 1 16 PRO CD C 7.668 -0.454 -6.855 1.00 . A A . 16 PRO CD 1 1
21 4966 1 1 16 PRO CG C 7.287 0.487 -7.985 1.00 . A A . 16 PRO CG 1 1
21 4967 1 1 16 PRO HA H 9.713 -1.261 -9.168 1.00 . A A . 16 PRO HA 1 1
21 4968 1 1 16 PRO HB2 H 8.614 1.213 -9.533 1.00 . A A . 16 PRO HB2 1 1
21 4969 1 1 16 PRO HB3 H 7.786 -0.274 -9.949 1.00 . A A . 16 PRO HB3 1 1
21 4970 1 1 16 PRO HD2 H 7.846 0.091 -5.928 1.00 . A A . 16 PRO HD2 1 1
21 4971 1 1 16 PRO HD3 H 6.876 -1.175 -6.656 1.00 . A A . 16 PRO HD3 1 1
21 4972 1 1 16 PRO HG2 H 7.323 1.524 -7.649 1.00 . A A . 16 PRO HG2 1 1
21 4973 1 1 16 PRO HG3 H 6.264 0.296 -8.313 1.00 . A A . 16 PRO HG3 1 1
21 4974 1 1 16 PRO N N 8.884 -1.117 -7.321 1.00 . A A . 16 PRO N 1 1
21 4975 1 1 16 PRO O O 11.510 0.473 -9.126 1.00 . A A . 16 PRO O 1 1
21 4976 1 1 17 PHL C C 12.498 1.185 -5.397 1.00 . A A . 17 PHL C 1 1
21 4977 1 1 17 PHL CA C 11.796 1.708 -6.651 1.00 . A A . 17 PHL CA 1 1
21 4978 1 1 17 PHL CB C 11.182 3.075 -6.344 1.00 . A A . 17 PHL CB 1 1
21 4979 1 1 17 PHL CD1 C 11.109 4.112 -8.623 1.00 . A A . 17 PHL CD1 1 1
21 4980 1 1 17 PHL CD2 C 9.076 3.837 -7.464 1.00 . A A . 17 PHL CD2 1 1
21 4981 1 1 17 PHL CE1 C 10.408 4.690 -9.715 1.00 . A A . 17 PHL CE1 1 1
21 4982 1 1 17 PHL CE2 C 8.375 4.415 -8.557 1.00 . A A . 17 PHL CE2 1 1
21 4983 1 1 17 PHL CG C 10.427 3.698 -7.521 1.00 . A A . 17 PHL CG 1 1
21 4984 1 1 17 PHL CZ C 9.056 4.829 -9.658 1.00 . A A . 17 PHL CZ 1 1
21 4985 1 1 17 PHL H2 H 10.023 0.663 -6.332 1.00 . A A . 17 PHL H2 1 1
21 4986 1 1 17 PHL HA H 12.504 1.732 -7.479 1.00 . A A . 17 PHL HA 1 1
21 4987 1 1 17 PHL HB2 H 10.498 2.975 -5.501 1.00 . A A . 17 PHL HB2 1 1
21 4988 1 1 17 PHL HB3 H 11.974 3.757 -6.033 1.00 . A A . 17 PHL HB3 1 1
21 4989 1 1 17 PHL HC1 H 11.865 1.375 -4.531 1.00 . A A . 17 PHL HC1 1 1
21 4990 1 1 17 PHL HC2 H 13.452 1.699 -5.284 1.00 . A A . 17 PHL HC2 1 1
21 4991 1 1 17 PHL HD1 H 12.191 4.000 -8.668 1.00 . A A . 17 PHL HD1 1 1
21 4992 1 1 17 PHL HD2 H 8.530 3.505 -6.581 1.00 . A A . 17 PHL HD2 1 1
21 4993 1 1 17 PHL HE1 H 10.953 5.021 -10.598 1.00 . A A . 17 PHL HE1 1 1
21 4994 1 1 17 PHL HE2 H 7.292 4.527 -8.511 1.00 . A A . 17 PHL HE2 1 1
21 4995 1 1 17 PHL HO H 11.890 -0.722 -5.408 1.00 . A A . 17 PHL HO 1 1
21 4996 1 1 17 PHL HZ H 8.518 5.272 -10.497 1.00 . A A . 17 PHL HZ 1 1
21 4997 1 1 17 PHL N N 10.706 0.831 -7.043 1.00 . A A . 17 PHL N 1 1
21 4998 1 1 17 PHL O O 12.749 -0.216 -5.472 1.00 . A A . 17 PHL O 1 1
22 4999 1 1 1 ACE C C -9.682 2.836 3.989 1.00 . A A . 1 ACE C 1 1
22 5000 1 1 1 ACE CH3 C -11.087 2.365 4.148 1.00 . A A . 1 ACE CH3 1 1
22 5001 1 1 1 ACE H1 H -11.738 3.219 4.331 1.00 . A A . 1 ACE H1 1 1
22 5002 1 1 1 ACE H2 H -11.404 1.854 3.239 1.00 . A A . 1 ACE H2 1 1
22 5003 1 1 1 ACE H3 H -11.145 1.676 4.991 1.00 . A A . 1 ACE H3 1 1
22 5004 1 1 1 ACE O O -8.987 2.426 3.060 1.00 . A A . 1 ACE O 1 1
22 5005 1 1 2 TRP C C -6.975 2.999 5.113 1.00 . A A . 2 TRP C 1 1
22 5006 1 1 2 TRP CA C -7.908 4.195 4.913 1.00 . A A . 2 TRP CA 1 1
22 5007 1 1 2 TRP CB C -7.723 5.281 5.975 1.00 . A A . 2 TRP CB 1 1
22 5008 1 1 2 TRP CD1 C -9.344 4.969 7.958 1.00 . A A . 2 TRP CD1 1 1
22 5009 1 1 2 TRP CD2 C -7.298 4.229 8.377 1.00 . A A . 2 TRP CD2 1 1
22 5010 1 1 2 TRP CE2 C -8.057 4.005 9.506 1.00 . A A . 2 TRP CE2 1 1
22 5011 1 1 2 TRP CE3 C -5.940 3.868 8.322 1.00 . A A . 2 TRP CE3 1 1
22 5012 1 1 2 TRP CG C -8.140 4.852 7.383 1.00 . A A . 2 TRP CG 1 1
22 5013 1 1 2 TRP CH2 C -6.197 3.041 10.635 1.00 . A A . 2 TRP CH2 1 1
22 5014 1 1 2 TRP CZ2 C -7.547 3.410 10.667 1.00 . A A . 2 TRP CZ2 1 1
22 5015 1 1 2 TRP CZ3 C -5.446 3.274 9.489 1.00 . A A . 2 TRP CZ3 1 1
22 5016 1 1 2 TRP H H -9.859 4.065 5.631 1.00 . A A . 2 TRP H 1 1
22 5017 1 1 2 TRP HA H -7.716 4.660 3.946 1.00 . A A . 2 TRP HA 1 1
22 5018 1 1 2 TRP HB2 H -6.676 5.583 5.993 1.00 . A A . 2 TRP HB2 1 1
22 5019 1 1 2 TRP HB3 H -8.302 6.158 5.688 1.00 . A A . 2 TRP HB3 1 1
22 5020 1 1 2 TRP HD1 H -10.218 5.404 7.472 1.00 . A A . 2 TRP HD1 1 1
22 5021 1 1 2 TRP HE1 H -10.189 4.442 9.929 1.00 . A A . 2 TRP HE1 1 1
22 5022 1 1 2 TRP HE3 H -5.321 4.034 7.441 1.00 . A A . 2 TRP HE3 1 1
22 5023 1 1 2 TRP HH2 H -5.736 2.573 11.506 1.00 . A A . 2 TRP HH2 1 1
22 5024 1 1 2 TRP HZ2 H -8.167 3.243 11.548 1.00 . A A . 2 TRP HZ2 1 1
22 5025 1 1 2 TRP HZ3 H -4.398 2.974 9.500 1.00 . A A . 2 TRP HZ3 1 1
22 5026 1 1 2 TRP N N -9.275 3.702 4.905 1.00 . A A . 2 TRP N 1 1
22 5027 1 1 2 TRP NE1 N -9.341 4.468 9.245 1.00 . A A . 2 TRP NE1 1 1
22 5028 1 1 2 TRP O O -5.953 2.884 4.437 1.00 . A A . 2 TRP O 1 1
22 5029 1 1 3 ILE C C -6.454 0.033 5.224 1.00 . A A . 3 ILE C 1 1
22 5030 1 1 3 ILE CA C -6.525 1.004 6.405 1.00 . A A . 3 ILE CA 1 1
22 5031 1 1 3 ILE CB C -7.026 0.362 7.700 1.00 . A A . 3 ILE CB 1 1
22 5032 1 1 3 ILE CD1 C -6.236 -2.030 7.818 1.00 . A A . 3 ILE CD1 1 1
22 5033 1 1 3 ILE CG1 C -5.980 -0.594 8.278 1.00 . A A . 3 ILE CG1 1 1
22 5034 1 1 3 ILE CG2 C -8.375 -0.326 7.484 1.00 . A A . 3 ILE CG2 1 1
22 5035 1 1 3 ILE H H -8.221 2.206 6.546 1.00 . A A . 3 ILE H 1 1
22 5036 1 1 3 ILE HA H -5.523 1.385 6.601 1.00 . A A . 3 ILE HA 1 1
22 5037 1 1 3 ILE HB H -7.182 1.151 8.435 1.00 . A A . 3 ILE HB 1 1
22 5038 1 1 3 ILE HD11 H -5.381 -2.653 8.078 1.00 . A A . 3 ILE HD11 1 1
22 5039 1 1 3 ILE HD12 H -7.129 -2.416 8.311 1.00 . A A . 3 ILE HD12 1 1
22 5040 1 1 3 ILE HD13 H -6.383 -2.045 6.738 1.00 . A A . 3 ILE HD13 1 1
22 5041 1 1 3 ILE HG12 H -4.984 -0.280 7.966 1.00 . A A . 3 ILE HG12 1 1
22 5042 1 1 3 ILE HG13 H -6.003 -0.547 9.367 1.00 . A A . 3 ILE HG13 1 1
22 5043 1 1 3 ILE HG21 H -8.286 -1.056 6.680 1.00 . A A . 3 ILE HG21 1 1
22 5044 1 1 3 ILE HG22 H -8.675 -0.834 8.402 1.00 . A A . 3 ILE HG22 1 1
22 5045 1 1 3 ILE HG23 H -9.125 0.418 7.219 1.00 . A A . 3 ILE HG23 1 1
22 5046 1 1 3 ILE N N -7.360 2.138 6.044 1.00 . A A . 3 ILE N 1 1
22 5047 1 1 3 ILE O O -5.434 -0.624 5.018 1.00 . A A . 3 ILE O 1 1
22 5048 1 1 4 GLN C C -6.733 -0.385 2.200 1.00 . A A . 4 GLN C 1 1
22 5049 1 1 4 GLN CA C -7.624 -0.908 3.330 1.00 . A A . 4 GLN CA 1 1
22 5050 1 1 4 GLN CB C -9.070 -1.070 2.856 1.00 . A A . 4 GLN CB 1 1
22 5051 1 1 4 GLN CD C -11.310 -2.111 3.366 1.00 . A A . 4 GLN CD 1 1
22 5052 1 1 4 GLN CG C -9.827 -2.067 3.737 1.00 . A A . 4 GLN CG 1 1
22 5053 1 1 4 GLN H H -8.372 0.514 4.654 1.00 . A A . 4 GLN H 1 1
22 5054 1 1 4 GLN HA H -7.251 -1.872 3.678 1.00 . A A . 4 GLN HA 1 1
22 5055 1 1 4 GLN HB2 H -9.574 -0.105 2.878 1.00 . A A . 4 GLN HB2 1 1
22 5056 1 1 4 GLN HB3 H -9.082 -1.413 1.821 1.00 . A A . 4 GLN HB3 1 1
22 5057 1 1 4 GLN HE21 H -11.642 -3.231 5.018 1.00 . A A . 4 GLN HE21 1 1
22 5058 1 1 4 GLN HE22 H -13.045 -2.885 4.063 1.00 . A A . 4 GLN HE22 1 1
22 5059 1 1 4 GLN HG2 H -9.391 -3.060 3.625 1.00 . A A . 4 GLN HG2 1 1
22 5060 1 1 4 GLN HG3 H -9.718 -1.787 4.785 1.00 . A A . 4 GLN HG3 1 1
22 5061 1 1 4 GLN N N -7.548 -0.026 4.481 1.00 . A A . 4 GLN N 1 1
22 5062 1 1 4 GLN NE2 N -12.061 -2.800 4.220 1.00 . A A . 4 GLN NE2 1 1
22 5063 1 1 4 GLN O O -5.873 -1.108 1.698 1.00 . A A . 4 GLN O 1 1
22 5064 1 1 4 GLN OE1 O -11.744 -1.556 2.369 1.00 . A A . 4 GLN OE1 1 1
22 5065 1 1 5 . C C -4.612 1.341 1.198 1.00 . A A . 5 DIV C 1 1
22 5066 1 1 5 . CA C -6.096 1.549 0.895 1.00 . A A . 5 DIV CA 1 1
22 5067 1 1 5 . CB1 C -6.365 1.040 -0.522 1.00 . A A . 5 DIV CB1 1 1
22 5068 1 1 5 . CB2 C -6.391 3.046 0.979 1.00 . A A . 5 DIV CB2 1 1
22 5069 1 1 5 . CG1 C -7.807 1.274 -0.978 1.00 . A A . 5 DIV CG1 1 1
22 5070 1 1 5 . H H -7.738 1.411 2.170 1.00 . A A . 5 DIV H 1 1
22 5071 1 1 5 . HB11 H -6.173 -0.032 -0.565 1.00 . A A . 5 DIV HB11 1 1
22 5072 1 1 5 . HB12 H -5.709 1.553 -1.224 1.00 . A A . 5 DIV HB12 1 1
22 5073 1 1 5 . HB21 H -7.462 3.212 0.851 1.00 . A A . 5 DIV HB21 1 1
22 5074 1 1 5 . HB22 H -6.080 3.423 1.955 1.00 . A A . 5 DIV HB22 1 1
22 5075 1 1 5 . HB23 H -5.844 3.570 0.195 1.00 . A A . 5 DIV HB23 1 1
22 5076 1 1 5 . HG11 H -7.993 0.717 -1.896 1.00 . A A . 5 DIV HG11 1 1
22 5077 1 1 5 . HG12 H -8.493 0.934 -0.202 1.00 . A A . 5 DIV HG12 1 1
22 5078 1 1 5 . HG13 H -7.964 2.336 -1.160 1.00 . A A . 5 DIV HG13 1 1
22 5079 1 1 5 . N N -6.969 0.866 1.835 1.00 . A A . 5 DIV N 1 1
22 5080 1 1 5 . O O -3.837 0.985 0.311 1.00 . A A . 5 DIV O 1 1
22 5081 1 1 6 ILE C C -2.398 0.029 2.727 1.00 . A A . 6 ILE C 1 1
22 5082 1 1 6 ILE CA C -2.872 1.477 2.872 1.00 . A A . 6 ILE CA 1 1
22 5083 1 1 6 ILE CB C -2.696 2.044 4.282 1.00 . A A . 6 ILE CB 1 1
22 5084 1 1 6 ILE CD1 C -3.036 4.194 5.555 1.00 . A A . 6 ILE CD1 1 1
22 5085 1 1 6 ILE CG1 C -2.550 3.566 4.248 1.00 . A A . 6 ILE CG1 1 1
22 5086 1 1 6 ILE CG2 C -1.525 1.371 5.001 1.00 . A A . 6 ILE CG2 1 1
22 5087 1 1 6 ILE H H -4.903 1.821 3.178 1.00 . A A . 6 ILE H 1 1
22 5088 1 1 6 ILE HA H -2.284 2.101 2.198 1.00 . A A . 6 ILE HA 1 1
22 5089 1 1 6 ILE HB H -3.597 1.820 4.854 1.00 . A A . 6 ILE HB 1 1
22 5090 1 1 6 ILE HD11 H -2.611 5.192 5.659 1.00 . A A . 6 ILE HD11 1 1
22 5091 1 1 6 ILE HD12 H -4.123 4.262 5.543 1.00 . A A . 6 ILE HD12 1 1
22 5092 1 1 6 ILE HD13 H -2.719 3.576 6.395 1.00 . A A . 6 ILE HD13 1 1
22 5093 1 1 6 ILE HG12 H -1.506 3.831 4.079 1.00 . A A . 6 ILE HG12 1 1
22 5094 1 1 6 ILE HG13 H -3.120 3.971 3.411 1.00 . A A . 6 ILE HG13 1 1
22 5095 1 1 6 ILE HG21 H -1.290 1.927 5.910 1.00 . A A . 6 ILE HG21 1 1
22 5096 1 1 6 ILE HG22 H -1.797 0.348 5.261 1.00 . A A . 6 ILE HG22 1 1
22 5097 1 1 6 ILE HG23 H -0.654 1.361 4.347 1.00 . A A . 6 ILE HG23 1 1
22 5098 1 1 6 ILE N N -4.260 1.573 2.454 1.00 . A A . 6 ILE N 1 1
22 5099 1 1 6 ILE O O -1.405 -0.239 2.054 1.00 . A A . 6 ILE O 1 1
22 5100 1 1 7 THR C C -2.510 -2.838 2.057 1.00 . A A . 7 THR C 1 1
22 5101 1 1 7 THR CA C -2.712 -2.256 3.457 1.00 . A A . 7 THR CA 1 1
22 5102 1 1 7 THR CB C -3.752 -3.012 4.287 1.00 . A A . 7 THR CB 1 1
22 5103 1 1 7 THR CG2 C -3.425 -4.501 4.417 1.00 . A A . 7 THR CG2 1 1
22 5104 1 1 7 THR H H -3.996 -0.657 3.830 1.00 . A A . 7 THR H 1 1
22 5105 1 1 7 THR HA H -1.747 -2.292 3.963 1.00 . A A . 7 THR HA 1 1
22 5106 1 1 7 THR HB H -4.753 -2.868 3.881 1.00 . A A . 7 THR HB 1 1
22 5107 1 1 7 THR HG1 H -4.247 -1.777 5.782 1.00 . A A . 7 THR HG1 1 1
22 5108 1 1 7 THR HG21 H -3.493 -4.975 3.437 1.00 . A A . 7 THR HG21 1 1
22 5109 1 1 7 THR HG22 H -2.415 -4.619 4.808 1.00 . A A . 7 THR HG22 1 1
22 5110 1 1 7 THR HG23 H -4.136 -4.971 5.097 1.00 . A A . 7 THR HG23 1 1
22 5111 1 1 7 THR N N -3.132 -0.866 3.372 1.00 . A A . 7 THR N 1 1
22 5112 1 1 7 THR O O -1.545 -3.562 1.817 1.00 . A A . 7 THR O 1 1
22 5113 1 1 7 THR OG1 O -3.582 -2.503 5.606 1.00 . A A . 7 THR OG1 1 1
22 5114 1 1 8 ABA C C -2.180 -2.484 -0.978 1.00 . A A . 8 AIB C 1 1
22 5115 1 1 8 ABA CA C -3.384 -3.004 -0.191 1.00 . A A . 8 AIB CA 1 1
22 5116 1 1 8 ABA H H -4.205 -1.895 1.370 1.00 . A A . 8 AIB H 1 1
22 5117 1 1 8 ABA N N -3.434 -2.500 1.171 1.00 . A A . 8 AIB N 1 1
22 5118 1 1 8 ABA O O -1.630 -3.193 -1.819 1.00 . A A . 8 AIB O 1 1
22 5119 1 1 9 LEU C C 0.601 -0.904 -0.781 1.00 . A A . 9 LEU C 1 1
22 5120 1 1 9 LEU CA C -0.752 -0.584 -1.421 1.00 . A A . 9 LEU CA 1 1
22 5121 1 1 9 LEU CB C -1.040 0.915 -1.533 1.00 . A A . 9 LEU CB 1 1
22 5122 1 1 9 LEU CD1 C -2.629 2.768 -2.166 1.00 . A A . 9 LEU CD1 1 1
22 5123 1 1 9 LEU CD2 C -1.984 1.002 -3.870 1.00 . A A . 9 LEU CD2 1 1
22 5124 1 1 9 LEU CG C -2.244 1.305 -2.393 1.00 . A A . 9 LEU CG 1 1
22 5125 1 1 9 LEU H H -2.210 -0.708 0.062 1.00 . A A . 9 LEU H 1 1
22 5126 1 1 9 LEU HA H -0.761 -0.990 -2.433 1.00 . A A . 9 LEU HA 1 1
22 5127 1 1 9 LEU HB2 H -1.191 1.312 -0.529 1.00 . A A . 9 LEU HB2 1 1
22 5128 1 1 9 LEU HB3 H -0.155 1.405 -1.939 1.00 . A A . 9 LEU HB3 1 1
22 5129 1 1 9 LEU HD11 H -3.544 2.992 -2.714 1.00 . A A . 9 LEU HD11 1 1
22 5130 1 1 9 LEU HD12 H -2.791 2.941 -1.102 1.00 . A A . 9 LEU HD12 1 1
22 5131 1 1 9 LEU HD13 H -1.826 3.414 -2.521 1.00 . A A . 9 LEU HD13 1 1
22 5132 1 1 9 LEU HD21 H -2.768 1.454 -4.477 1.00 . A A . 9 LEU HD21 1 1
22 5133 1 1 9 LEU HD22 H -1.017 1.413 -4.160 1.00 . A A . 9 LEU HD22 1 1
22 5134 1 1 9 LEU HD23 H -1.982 -0.077 -4.025 1.00 . A A . 9 LEU HD23 1 1
22 5135 1 1 9 LEU HG H -3.094 0.697 -2.084 1.00 . A A . 9 LEU HG 1 1
22 5136 1 1 9 LEU N N -1.805 -1.249 -0.675 1.00 . A A . 9 LEU N 1 1
22 5137 1 1 9 LEU O O 1.640 -0.789 -1.428 1.00 . A A . 9 LEU O 1 1
22 5138 1 1 10 ABA C C 2.881 -2.137 0.618 1.00 . A A . 10 AIB C 1 1
22 5139 1 1 10 ABA CA C 1.742 -1.375 1.298 1.00 . A A . 10 AIB CA 1 1
22 5140 1 1 10 ABA H H -0.302 -1.565 0.946 1.00 . A A . 10 AIB H 1 1
22 5141 1 1 10 ABA N N 0.543 -1.299 0.482 1.00 . A A . 10 AIB N 1 1
22 5142 1 1 10 ABA O O 3.997 -1.632 0.515 1.00 . A A . 10 AIB O 1 1
22 5143 1 1 11 HYP C C 4.024 -3.845 -1.751 1.00 . A A . 11 HYP C 1 1
22 5144 1 1 11 HYP CA C 3.566 -4.277 -0.357 1.00 . A A . 11 HYP CA 1 1
22 5145 1 1 11 HYP CB C 2.913 -5.650 -0.345 1.00 . A A . 11 HYP CB 1 1
22 5146 1 1 11 HYP CD C 1.207 -3.944 0.122 1.00 . A A . 11 HYP CD 1 1
22 5147 1 1 11 HYP CG C 1.416 -5.400 -0.263 1.00 . A A . 11 HYP CG 1 1
22 5148 1 1 11 HYP HA H 4.452 -4.245 0.275 1.00 . A A . 11 HYP HA 1 1
22 5149 1 1 11 HYP HB2 H 3.167 -6.211 -1.245 1.00 . A A . 11 HYP HB2 1 1
22 5150 1 1 11 HYP HB3 H 3.258 -6.239 0.506 1.00 . A A . 11 HYP HB3 1 1
22 5151 1 1 11 HYP HD1 H 1.380 -5.902 1.732 1.00 . A A . 11 HYP HD1 1 1
22 5152 1 1 11 HYP HD22 H 0.578 -3.429 -0.604 1.00 . A A . 11 HYP HD22 1 1
22 5153 1 1 11 HYP HD23 H 0.713 -3.857 1.089 1.00 . A A . 11 HYP HD23 1 1
22 5154 1 1 11 HYP HG H 0.905 -5.655 -1.192 1.00 . A A . 11 HYP HG 1 1
22 5155 1 1 11 HYP N N 2.550 -3.374 0.160 1.00 . A A . 11 HYP N 1 1
22 5156 1 1 11 HYP O O 5.045 -4.318 -2.247 1.00 . A A . 11 HYP O 1 1
22 5157 1 1 11 HYP OD1 O 0.927 -6.203 0.893 1.00 . A A . 11 HYP OD1 1 1
22 5158 1 1 12 GLN C C 4.406 -1.367 -3.808 1.00 . A A . 12 GLN C 1 1
22 5159 1 1 12 GLN CA C 3.466 -2.571 -3.730 1.00 . A A . 12 GLN CA 1 1
22 5160 1 1 12 GLN CB C 2.139 -2.277 -4.434 1.00 . A A . 12 GLN CB 1 1
22 5161 1 1 12 GLN CD C -0.011 -3.307 -5.256 1.00 . A A . 12 GLN CD 1 1
22 5162 1 1 12 GLN CG C 1.175 -3.458 -4.302 1.00 . A A . 12 GLN CG 1 1
22 5163 1 1 12 GLN H H 2.481 -2.490 -1.896 1.00 . A A . 12 GLN H 1 1
22 5164 1 1 12 GLN HA H 3.934 -3.437 -4.197 1.00 . A A . 12 GLN HA 1 1
22 5165 1 1 12 GLN HB2 H 1.686 -1.384 -4.006 1.00 . A A . 12 GLN HB2 1 1
22 5166 1 1 12 GLN HB3 H 2.322 -2.068 -5.488 1.00 . A A . 12 GLN HB3 1 1
22 5167 1 1 12 GLN HE21 H -1.238 -3.250 -3.647 1.00 . A A . 12 GLN HE21 1 1
22 5168 1 1 12 GLN HE22 H -2.025 -3.115 -5.185 1.00 . A A . 12 GLN HE22 1 1
22 5169 1 1 12 GLN HG2 H 1.702 -4.388 -4.515 1.00 . A A . 12 GLN HG2 1 1
22 5170 1 1 12 GLN HG3 H 0.814 -3.524 -3.275 1.00 . A A . 12 GLN HG3 1 1
22 5171 1 1 12 GLN N N 3.247 -2.951 -2.344 1.00 . A A . 12 GLN N 1 1
22 5172 1 1 12 GLN NE2 N -1.189 -3.217 -4.646 1.00 . A A . 12 GLN NE2 1 1
22 5173 1 1 12 GLN O O 5.105 -1.184 -4.804 1.00 . A A . 12 GLN O 1 1
22 5174 1 1 12 GLN OE1 O 0.135 -3.274 -6.468 1.00 . A A . 12 GLN OE1 1 1
22 5175 1 1 13 ABA C C 6.540 0.601 -3.188 1.00 . A A . 13 AIB C 1 1
22 5176 1 1 13 ABA CA C 5.076 0.706 -2.758 1.00 . A A . 13 AIB CA 1 1
22 5177 1 1 13 ABA H H 3.930 -0.800 -1.887 1.00 . A A . 13 AIB H 1 1
22 5178 1 1 13 ABA N N 4.394 -0.577 -2.745 1.00 . A A . 13 AIB N 1 1
22 5179 1 1 13 ABA O O 6.980 1.313 -4.090 1.00 . A A . 13 AIB O 1 1
22 5180 1 1 14 HYP C C 9.153 -0.954 -3.956 1.00 . A A . 14 HYP C 1 1
22 5181 1 1 14 HYP CA C 8.723 -0.352 -2.617 1.00 . A A . 14 HYP CA 1 1
22 5182 1 1 14 HYP CB C 9.191 -1.165 -1.422 1.00 . A A . 14 HYP CB 1 1
22 5183 1 1 14 HYP CD C 6.748 -1.341 -1.607 1.00 . A A . 14 HYP CD 1 1
22 5184 1 1 14 HYP CG C 7.976 -1.943 -0.945 1.00 . A A . 14 HYP CG 1 1
22 5185 1 1 14 HYP HA H 9.125 0.661 -2.600 1.00 . A A . 14 HYP HA 1 1
22 5186 1 1 14 HYP HB2 H 10.002 -1.838 -1.702 1.00 . A A . 14 HYP HB2 1 1
22 5187 1 1 14 HYP HB3 H 9.574 -0.516 -0.635 1.00 . A A . 14 HYP HB3 1 1
22 5188 1 1 14 HYP HD1 H 7.705 -0.666 0.646 1.00 . A A . 14 HYP HD1 1 1
22 5189 1 1 14 HYP HD22 H 6.185 -2.096 -2.156 1.00 . A A . 14 HYP HD22 1 1
22 5190 1 1 14 HYP HD23 H 6.070 -0.912 -0.870 1.00 . A A . 14 HYP HD23 1 1
22 5191 1 1 14 HYP HG H 8.068 -3.011 -1.145 1.00 . A A . 14 HYP HG 1 1
22 5192 1 1 14 HYP N N 7.274 -0.317 -2.504 1.00 . A A . 14 HYP N 1 1
22 5193 1 1 14 HYP O O 10.238 -0.657 -4.455 1.00 . A A . 14 HYP O 1 1
22 5194 1 1 14 HYP OD1 O 7.843 -1.646 0.509 1.00 . A A . 14 HYP OD1 1 1
22 5195 1 1 15 ABA C C 9.534 -2.138 -6.621 1.00 . A A . 15 AIB C 1 1
22 5196 1 1 15 ABA CA C 8.696 -2.757 -5.502 1.00 . A A . 15 AIB CA 1 1
22 5197 1 1 15 ABA H H 7.308 -1.812 -4.268 1.00 . A A . 15 AIB H 1 1
22 5198 1 1 15 ABA N N 8.281 -1.790 -4.501 1.00 . A A . 15 AIB N 1 1
22 5199 1 1 15 ABA O O 10.664 -2.559 -6.862 1.00 . A A . 15 AIB O 1 1
22 5200 1 1 16 PRO C C 10.707 0.103 -8.477 1.00 . A A . 16 PRO C 1 1
22 5201 1 1 16 PRO CA C 9.410 -0.700 -8.600 1.00 . A A . 16 PRO CA 1 1
22 5202 1 1 16 PRO CB C 8.267 0.105 -9.196 1.00 . A A . 16 PRO CB 1 1
22 5203 1 1 16 PRO CD C 7.785 -0.345 -6.829 1.00 . A A . 16 PRO CD 1 1
22 5204 1 1 16 PRO CG C 7.379 0.499 -8.027 1.00 . A A . 16 PRO CG 1 1
22 5205 1 1 16 PRO HA H 9.633 -1.497 -9.161 1.00 . A A . 16 PRO HA 1 1
22 5206 1 1 16 PRO HB2 H 8.641 0.988 -9.716 1.00 . A A . 16 PRO HB2 1 1
22 5207 1 1 16 PRO HB3 H 7.713 -0.484 -9.927 1.00 . A A . 16 PRO HB3 1 1
22 5208 1 1 16 PRO HD2 H 8.048 0.279 -5.976 1.00 . A A . 16 PRO HD2 1 1
22 5209 1 1 16 PRO HD3 H 6.971 -0.996 -6.509 1.00 . A A . 16 PRO HD3 1 1
22 5210 1 1 16 PRO HG2 H 7.492 1.560 -7.802 1.00 . A A . 16 PRO HG2 1 1
22 5211 1 1 16 PRO HG3 H 6.330 0.335 -8.272 1.00 . A A . 16 PRO HG3 1 1
22 5212 1 1 16 PRO N N 8.933 -1.120 -7.293 1.00 . A A . 16 PRO N 1 1
22 5213 1 1 16 PRO O O 11.461 0.222 -9.443 1.00 . A A . 16 PRO O 1 1
22 5214 1 1 17 PHL C C 12.695 1.187 -5.666 1.00 . A A . 17 PHL C 1 1
22 5215 1 1 17 PHL CA C 12.086 1.474 -7.040 1.00 . A A . 17 PHL CA 1 1
22 5216 1 1 17 PHL CB C 11.599 2.924 -7.076 1.00 . A A . 17 PHL CB 1 1
22 5217 1 1 17 PHL CD1 C 11.773 3.430 -9.522 1.00 . A A . 17 PHL CD1 1 1
22 5218 1 1 17 PHL CD2 C 9.661 3.626 -8.498 1.00 . A A . 17 PHL CD2 1 1
22 5219 1 1 17 PHL CE1 C 11.207 3.819 -10.765 1.00 . A A . 17 PHL CE1 1 1
22 5220 1 1 17 PHL CE2 C 9.094 4.015 -9.741 1.00 . A A . 17 PHL CE2 1 1
22 5221 1 1 17 PHL CG C 10.989 3.342 -8.415 1.00 . A A . 17 PHL CG 1 1
22 5222 1 1 17 PHL CZ C 9.880 4.103 -10.848 1.00 . A A . 17 PHL CZ 1 1
22 5223 1 1 17 PHL H2 H 10.334 0.491 -6.490 1.00 . A A . 17 PHL H2 1 1
22 5224 1 1 17 PHL HA H 12.819 1.248 -7.815 1.00 . A A . 17 PHL HA 1 1
22 5225 1 1 17 PHL HB2 H 10.857 3.067 -6.290 1.00 . A A . 17 PHL HB2 1 1
22 5226 1 1 17 PHL HB3 H 12.436 3.584 -6.849 1.00 . A A . 17 PHL HB3 1 1
22 5227 1 1 17 PHL HC1 H 13.631 1.738 -5.570 1.00 . A A . 17 PHL HC1 1 1
22 5228 1 1 17 PHL HC2 H 12.882 0.117 -5.578 1.00 . A A . 17 PHL HC2 1 1
22 5229 1 1 17 PHL HD1 H 12.837 3.203 -9.455 1.00 . A A . 17 PHL HD1 1 1
22 5230 1 1 17 PHL HD2 H 9.032 3.556 -7.611 1.00 . A A . 17 PHL HD2 1 1
22 5231 1 1 17 PHL HE1 H 11.835 3.889 -11.653 1.00 . A A . 17 PHL HE1 1 1
22 5232 1 1 17 PHL HE2 H 8.030 4.242 -9.808 1.00 . A A . 17 PHL HE2 1 1
22 5233 1 1 17 PHL HO H 12.346 2.082 -3.910 1.00 . A A . 17 PHL HO 1 1
22 5234 1 1 17 PHL HZ H 9.444 4.401 -11.802 1.00 . A A . 17 PHL HZ 1 1
22 5235 1 1 17 PHL N N 10.928 0.630 -7.283 1.00 . A A . 17 PHL N 1 1
22 5236 1 1 17 PHL O O 11.829 1.583 -4.606 1.00 . A A . 17 PHL O 1 1
23 5237 1 1 1 ACE C C -9.656 2.800 4.076 1.00 . A A . 1 ACE C 1 1
23 5238 1 1 1 ACE CH3 C -11.049 2.523 4.526 1.00 . A A . 1 ACE CH3 1 1
23 5239 1 1 1 ACE H1 H -11.705 3.327 4.196 1.00 . A A . 1 ACE H1 1 1
23 5240 1 1 1 ACE H2 H -11.388 1.579 4.099 1.00 . A A . 1 ACE H2 1 1
23 5241 1 1 1 ACE H3 H -11.072 2.458 5.614 1.00 . A A . 1 ACE H3 1 1
23 5242 1 1 1 ACE O O -9.144 2.131 3.179 1.00 . A A . 1 ACE O 1 1
23 5243 1 1 2 TRP C C -6.744 3.088 4.812 1.00 . A A . 2 TRP C 1 1
23 5244 1 1 2 TRP CA C -7.698 4.193 4.355 1.00 . A A . 2 TRP CA 1 1
23 5245 1 1 2 TRP CB C -7.357 5.561 4.950 1.00 . A A . 2 TRP CB 1 1
23 5246 1 1 2 TRP CD1 C -8.219 5.787 7.372 1.00 . A A . 2 TRP CD1 1 1
23 5247 1 1 2 TRP CD2 C -6.055 5.330 7.253 1.00 . A A . 2 TRP CD2 1 1
23 5248 1 1 2 TRP CE2 C -6.384 5.424 8.590 1.00 . A A . 2 TRP CE2 1 1
23 5249 1 1 2 TRP CE3 C -4.741 5.047 6.840 1.00 . A A . 2 TRP CE3 1 1
23 5250 1 1 2 TRP CG C -7.247 5.567 6.476 1.00 . A A . 2 TRP CG 1 1
23 5251 1 1 2 TRP CH2 C -4.140 4.965 9.234 1.00 . A A . 2 TRP CH2 1 1
23 5252 1 1 2 TRP CZ2 C -5.454 5.248 9.622 1.00 . A A . 2 TRP CZ2 1 1
23 5253 1 1 2 TRP CZ3 C -3.825 4.874 7.883 1.00 . A A . 2 TRP CZ3 1 1
23 5254 1 1 2 TRP H H -9.466 4.322 5.449 1.00 . A A . 2 TRP H 1 1
23 5255 1 1 2 TRP HA H -7.655 4.299 3.271 1.00 . A A . 2 TRP HA 1 1
23 5256 1 1 2 TRP HB2 H -6.413 5.905 4.527 1.00 . A A . 2 TRP HB2 1 1
23 5257 1 1 2 TRP HB3 H -8.121 6.277 4.648 1.00 . A A . 2 TRP HB3 1 1
23 5258 1 1 2 TRP HD1 H -9.257 6.000 7.113 1.00 . A A . 2 TRP HD1 1 1
23 5259 1 1 2 TRP HE1 H -8.323 5.850 9.576 1.00 . A A . 2 TRP HE1 1 1
23 5260 1 1 2 TRP HE3 H -4.457 4.967 5.790 1.00 . A A . 2 TRP HE3 1 1
23 5261 1 1 2 TRP HH2 H -3.367 4.816 9.988 1.00 . A A . 2 TRP HH2 1 1
23 5262 1 1 2 TRP HZ2 H -5.740 5.327 10.671 1.00 . A A . 2 TRP HZ2 1 1
23 5263 1 1 2 TRP HZ3 H -2.791 4.652 7.618 1.00 . A A . 2 TRP HZ3 1 1
23 5264 1 1 2 TRP N N -9.050 3.794 4.709 1.00 . A A . 2 TRP N 1 1
23 5265 1 1 2 TRP NE1 N -7.742 5.711 8.665 1.00 . A A . 2 TRP NE1 1 1
23 5266 1 1 2 TRP O O -5.665 2.921 4.245 1.00 . A A . 2 TRP O 1 1
23 5267 1 1 3 ILE C C -6.407 0.098 5.378 1.00 . A A . 3 ILE C 1 1
23 5268 1 1 3 ILE CA C -6.380 1.268 6.363 1.00 . A A . 3 ILE CA 1 1
23 5269 1 1 3 ILE CB C -6.850 0.898 7.771 1.00 . A A . 3 ILE CB 1 1
23 5270 1 1 3 ILE CD1 C -4.740 1.217 9.114 1.00 . A A . 3 ILE CD1 1 1
23 5271 1 1 3 ILE CG1 C -6.144 1.751 8.827 1.00 . A A . 3 ILE CG1 1 1
23 5272 1 1 3 ILE CG2 C -6.673 -0.599 8.032 1.00 . A A . 3 ILE CG2 1 1
23 5273 1 1 3 ILE H H -8.052 2.509 6.293 1.00 . A A . 3 ILE H 1 1
23 5274 1 1 3 ILE HA H -5.353 1.624 6.449 1.00 . A A . 3 ILE HA 1 1
23 5275 1 1 3 ILE HB H -7.916 1.114 7.843 1.00 . A A . 3 ILE HB 1 1
23 5276 1 1 3 ILE HD11 H -4.812 0.298 9.695 1.00 . A A . 3 ILE HD11 1 1
23 5277 1 1 3 ILE HD12 H -4.229 1.013 8.173 1.00 . A A . 3 ILE HD12 1 1
23 5278 1 1 3 ILE HD13 H -4.176 1.961 9.678 1.00 . A A . 3 ILE HD13 1 1
23 5279 1 1 3 ILE HG12 H -6.081 2.783 8.482 1.00 . A A . 3 ILE HG12 1 1
23 5280 1 1 3 ILE HG13 H -6.729 1.758 9.746 1.00 . A A . 3 ILE HG13 1 1
23 5281 1 1 3 ILE HG21 H -7.377 -1.161 7.418 1.00 . A A . 3 ILE HG21 1 1
23 5282 1 1 3 ILE HG22 H -5.654 -0.894 7.781 1.00 . A A . 3 ILE HG22 1 1
23 5283 1 1 3 ILE HG23 H -6.862 -0.809 9.086 1.00 . A A . 3 ILE HG23 1 1
23 5284 1 1 3 ILE N N -7.176 2.362 5.831 1.00 . A A . 3 ILE N 1 1
23 5285 1 1 3 ILE O O -5.453 -0.674 5.299 1.00 . A A . 3 ILE O 1 1
23 5286 1 1 4 GLN C C -6.797 -0.581 2.384 1.00 . A A . 4 GLN C 1 1
23 5287 1 1 4 GLN CA C -7.631 -0.992 3.599 1.00 . A A . 4 GLN CA 1 1
23 5288 1 1 4 GLN CB C -9.096 -1.207 3.212 1.00 . A A . 4 GLN CB 1 1
23 5289 1 1 4 GLN CD C -11.278 -2.253 3.922 1.00 . A A . 4 GLN CD 1 1
23 5290 1 1 4 GLN CG C -9.762 -2.229 4.135 1.00 . A A . 4 GLN CG 1 1
23 5291 1 1 4 GLN H H -8.312 0.588 4.772 1.00 . A A . 4 GLN H 1 1
23 5292 1 1 4 GLN HA H -7.236 -1.914 4.025 1.00 . A A . 4 GLN HA 1 1
23 5293 1 1 4 GLN HB2 H -9.632 -0.259 3.264 1.00 . A A . 4 GLN HB2 1 1
23 5294 1 1 4 GLN HB3 H -9.156 -1.550 2.179 1.00 . A A . 4 GLN HB3 1 1
23 5295 1 1 4 GLN HE21 H -10.985 -3.455 2.320 1.00 . A A . 4 GLN HE21 1 1
23 5296 1 1 4 GLN HE22 H -12.638 -3.062 2.659 1.00 . A A . 4 GLN HE22 1 1
23 5297 1 1 4 GLN HG2 H -9.350 -3.219 3.945 1.00 . A A . 4 GLN HG2 1 1
23 5298 1 1 4 GLN HG3 H -9.542 -1.984 5.174 1.00 . A A . 4 GLN HG3 1 1
23 5299 1 1 4 GLN N N -7.511 0.002 4.651 1.00 . A A . 4 GLN N 1 1
23 5300 1 1 4 GLN NE2 N -11.666 -2.984 2.880 1.00 . A A . 4 GLN NE2 1 1
23 5301 1 1 4 GLN O O -6.037 -1.386 1.848 1.00 . A A . 4 GLN O 1 1
23 5302 1 1 4 GLN OE1 O -12.043 -1.649 4.655 1.00 . A A . 4 GLN OE1 1 1
23 5303 1 1 5 . C C -4.622 1.008 1.227 1.00 . A A . 5 DIV C 1 1
23 5304 1 1 5 . CA C -6.110 1.255 0.969 1.00 . A A . 5 DIV CA 1 1
23 5305 1 1 5 . CB1 C -6.455 0.668 -0.402 1.00 . A A . 5 DIV CB1 1 1
23 5306 1 1 5 . CB2 C -6.344 2.766 0.965 1.00 . A A . 5 DIV CB2 1 1
23 5307 1 1 5 . CG1 C -7.890 0.971 -0.836 1.00 . A A . 5 DIV CG1 1 1
23 5308 1 1 5 . H H -7.676 1.280 2.342 1.00 . A A . 5 DIV H 1 1
23 5309 1 1 5 . HB11 H -6.339 -0.416 -0.370 1.00 . A A . 5 DIV HB11 1 1
23 5310 1 1 5 . HB12 H -5.785 1.082 -1.154 1.00 . A A . 5 DIV HB12 1 1
23 5311 1 1 5 . HB21 H -5.918 3.200 1.871 1.00 . A A . 5 DIV HB21 1 1
23 5312 1 1 5 . HB22 H -5.860 3.206 0.092 1.00 . A A . 5 DIV HB22 1 1
23 5313 1 1 5 . HB23 H -7.413 2.968 0.931 1.00 . A A . 5 DIV HB23 1 1
23 5314 1 1 5 . HG11 H -7.979 2.029 -1.083 1.00 . A A . 5 DIV HG11 1 1
23 5315 1 1 5 . HG12 H -8.139 0.373 -1.713 1.00 . A A . 5 DIV HG12 1 1
23 5316 1 1 5 . HG13 H -8.575 0.729 -0.025 1.00 . A A . 5 DIV HG13 1 1
23 5317 1 1 5 . N N -6.968 0.671 1.984 1.00 . A A . 5 DIV N 1 1
23 5318 1 1 5 . O O -3.899 0.560 0.338 1.00 . A A . 5 DIV O 1 1
23 5319 1 1 6 ILE C C -2.260 -0.081 2.883 1.00 . A A . 6 ILE C 1 1
23 5320 1 1 6 ILE CA C -2.793 1.349 2.773 1.00 . A A . 6 ILE CA 1 1
23 5321 1 1 6 ILE CB C -2.554 2.194 4.027 1.00 . A A . 6 ILE CB 1 1
23 5322 1 1 6 ILE CD1 C -0.990 3.828 5.141 1.00 . A A . 6 ILE CD1 1 1
23 5323 1 1 6 ILE CG1 C -1.151 2.804 4.016 1.00 . A A . 6 ILE CG1 1 1
23 5324 1 1 6 ILE CG2 C -2.815 1.379 5.294 1.00 . A A . 6 ILE CG2 1 1
23 5325 1 1 6 ILE H H -4.823 1.524 3.209 1.00 . A A . 6 ILE H 1 1
23 5326 1 1 6 ILE HA H -2.284 1.846 1.948 1.00 . A A . 6 ILE HA 1 1
23 5327 1 1 6 ILE HB H -3.264 3.020 4.023 1.00 . A A . 6 ILE HB 1 1
23 5328 1 1 6 ILE HD11 H -0.995 3.314 6.103 1.00 . A A . 6 ILE HD11 1 1
23 5329 1 1 6 ILE HD12 H -0.046 4.359 5.017 1.00 . A A . 6 ILE HD12 1 1
23 5330 1 1 6 ILE HD13 H -1.815 4.540 5.106 1.00 . A A . 6 ILE HD13 1 1
23 5331 1 1 6 ILE HG12 H -0.407 2.016 4.128 1.00 . A A . 6 ILE HG12 1 1
23 5332 1 1 6 ILE HG13 H -0.965 3.283 3.055 1.00 . A A . 6 ILE HG13 1 1
23 5333 1 1 6 ILE HG21 H -1.982 0.698 5.467 1.00 . A A . 6 ILE HG21 1 1
23 5334 1 1 6 ILE HG22 H -2.915 2.052 6.146 1.00 . A A . 6 ILE HG22 1 1
23 5335 1 1 6 ILE HG23 H -3.734 0.805 5.174 1.00 . A A . 6 ILE HG23 1 1
23 5336 1 1 6 ILE N N -4.210 1.309 2.450 1.00 . A A . 6 ILE N 1 1
23 5337 1 1 6 ILE O O -1.096 -0.337 2.579 1.00 . A A . 6 ILE O 1 1
23 5338 1 1 7 THR C C -2.598 -2.994 2.044 1.00 . A A . 7 THR C 1 1
23 5339 1 1 7 THR CA C -2.781 -2.377 3.432 1.00 . A A . 7 THR CA 1 1
23 5340 1 1 7 THR CB C -3.858 -3.072 4.268 1.00 . A A . 7 THR CB 1 1
23 5341 1 1 7 THR CG2 C -3.647 -4.586 4.353 1.00 . A A . 7 THR CG2 1 1
23 5342 1 1 7 THR H H -4.072 -0.751 3.593 1.00 . A A . 7 THR H 1 1
23 5343 1 1 7 THR HA H -1.820 -2.449 3.942 1.00 . A A . 7 THR HA 1 1
23 5344 1 1 7 THR HB H -4.853 -2.839 3.892 1.00 . A A . 7 THR HB 1 1
23 5345 1 1 7 THR HG1 H -4.052 -1.724 5.734 1.00 . A A . 7 THR HG1 1 1
23 5346 1 1 7 THR HG21 H -4.363 -5.013 5.054 1.00 . A A . 7 THR HG21 1 1
23 5347 1 1 7 THR HG22 H -3.794 -5.029 3.369 1.00 . A A . 7 THR HG22 1 1
23 5348 1 1 7 THR HG23 H -2.634 -4.792 4.697 1.00 . A A . 7 THR HG23 1 1
23 5349 1 1 7 THR N N -3.136 -0.973 3.320 1.00 . A A . 7 THR N 1 1
23 5350 1 1 7 THR O O -1.655 -3.750 1.815 1.00 . A A . 7 THR O 1 1
23 5351 1 1 7 THR OG1 O -3.616 -2.613 5.595 1.00 . A A . 7 THR OG1 1 1
23 5352 1 1 8 ABA C C -2.224 -2.574 -0.973 1.00 . A A . 8 AIB C 1 1
23 5353 1 1 8 ABA CA C -3.439 -3.118 -0.221 1.00 . A A . 8 AIB CA 1 1
23 5354 1 1 8 ABA H H -4.297 -2.058 1.354 1.00 . A A . 8 AIB H 1 1
23 5355 1 1 8 ABA N N -3.515 -2.648 1.152 1.00 . A A . 8 AIB N 1 1
23 5356 1 1 8 ABA O O -1.621 -3.280 -1.780 1.00 . A A . 8 AIB O 1 1
23 5357 1 1 9 LEU C C 0.491 -0.886 -0.766 1.00 . A A . 9 LEU C 1 1
23 5358 1 1 9 LEU CA C -0.864 -0.626 -1.426 1.00 . A A . 9 LEU CA 1 1
23 5359 1 1 9 LEU CB C -1.208 0.859 -1.561 1.00 . A A . 9 LEU CB 1 1
23 5360 1 1 9 LEU CD1 C -2.917 2.616 -2.153 1.00 . A A . 9 LEU CD1 1 1
23 5361 1 1 9 LEU CD2 C -2.154 0.940 -3.897 1.00 . A A . 9 LEU CD2 1 1
23 5362 1 1 9 LEU CG C -2.436 1.188 -2.414 1.00 . A A . 9 LEU CG 1 1
23 5363 1 1 9 LEU H H -2.334 -0.787 0.042 1.00 . A A . 9 LEU H 1 1
23 5364 1 1 9 LEU HA H -0.845 -1.045 -2.432 1.00 . A A . 9 LEU HA 1 1
23 5365 1 1 9 LEU HB2 H -1.364 1.268 -0.563 1.00 . A A . 9 LEU HB2 1 1
23 5366 1 1 9 LEU HB3 H -0.347 1.374 -1.986 1.00 . A A . 9 LEU HB3 1 1
23 5367 1 1 9 LEU HD11 H -3.796 2.821 -2.765 1.00 . A A . 9 LEU HD11 1 1
23 5368 1 1 9 LEU HD12 H -3.174 2.727 -1.100 1.00 . A A . 9 LEU HD12 1 1
23 5369 1 1 9 LEU HD13 H -2.124 3.319 -2.409 1.00 . A A . 9 LEU HD13 1 1
23 5370 1 1 9 LEU HD21 H -2.992 1.305 -4.492 1.00 . A A . 9 LEU HD21 1 1
23 5371 1 1 9 LEU HD22 H -1.246 1.467 -4.188 1.00 . A A . 9 LEU HD22 1 1
23 5372 1 1 9 LEU HD23 H -2.025 -0.129 -4.069 1.00 . A A . 9 LEU HD23 1 1
23 5373 1 1 9 LEU HG H -3.243 0.518 -2.123 1.00 . A A . 9 LEU HG 1 1
23 5374 1 1 9 LEU N N -1.902 -1.323 -0.684 1.00 . A A . 9 LEU N 1 1
23 5375 1 1 9 LEU O O 1.535 -0.724 -1.398 1.00 . A A . 9 LEU O 1 1
23 5376 1 1 10 ABA C C 2.782 -2.096 0.585 1.00 . A A . 10 AIB C 1 1
23 5377 1 1 10 ABA CA C 1.636 -1.385 1.306 1.00 . A A . 10 AIB CA 1 1
23 5378 1 1 10 ABA H H -0.415 -1.530 0.966 1.00 . A A . 10 AIB H 1 1
23 5379 1 1 10 ABA N N 0.433 -1.282 0.497 1.00 . A A . 10 AIB N 1 1
23 5380 1 1 10 ABA O O 3.881 -1.557 0.475 1.00 . A A . 10 AIB O 1 1
23 5381 1 1 11 HYP C C 3.933 -3.712 -1.845 1.00 . A A . 11 HYP C 1 1
23 5382 1 1 11 HYP CA C 3.507 -4.191 -0.456 1.00 . A A . 11 HYP CA 1 1
23 5383 1 1 11 HYP CB C 2.892 -5.581 -0.470 1.00 . A A . 11 HYP CB 1 1
23 5384 1 1 11 HYP CD C 1.149 -3.934 0.066 1.00 . A A . 11 HYP CD 1 1
23 5385 1 1 11 HYP CG C 1.390 -5.373 -0.360 1.00 . A A . 11 HYP CG 1 1
23 5386 1 1 11 HYP HA H 4.403 -4.152 0.164 1.00 . A A . 11 HYP HA 1 1
23 5387 1 1 11 HYP HB2 H 3.147 -6.112 -1.387 1.00 . A A . 11 HYP HB2 1 1
23 5388 1 1 11 HYP HB3 H 3.265 -6.182 0.360 1.00 . A A . 11 HYP HB3 1 1
23 5389 1 1 11 HYP HD1 H 1.404 -5.932 1.621 1.00 . A A . 11 HYP HD1 1 1
23 5390 1 1 11 HYP HD22 H 0.496 -3.417 -0.637 1.00 . A A . 11 HYP HD22 1 1
23 5391 1 1 11 HYP HD23 H 0.666 -3.886 1.042 1.00 . A A . 11 HYP HD23 1 1
23 5392 1 1 11 HYP HG H 0.872 -5.618 -1.288 1.00 . A A . 11 HYP HG 1 1
23 5393 1 1 11 HYP N N 2.477 -3.330 0.100 1.00 . A A . 11 HYP N 1 1
23 5394 1 1 11 HYP O O 4.959 -4.143 -2.367 1.00 . A A . 11 HYP O 1 1
23 5395 1 1 11 HYP OD1 O 0.941 -6.218 0.782 1.00 . A A . 11 HYP OD1 1 1
23 5396 1 1 12 GLN C C 4.333 -1.200 -3.779 1.00 . A A . 12 GLN C 1 1
23 5397 1 1 12 GLN CA C 3.341 -2.365 -3.765 1.00 . A A . 12 GLN CA 1 1
23 5398 1 1 12 GLN CB C 2.021 -1.969 -4.428 1.00 . A A . 12 GLN CB 1 1
23 5399 1 1 12 GLN CD C -0.237 -2.784 -5.202 1.00 . A A . 12 GLN CD 1 1
23 5400 1 1 12 GLN CG C 1.036 -3.140 -4.431 1.00 . A A . 12 GLN CG 1 1
23 5401 1 1 12 GLN H H 2.331 -2.422 -1.944 1.00 . A A . 12 GLN H 1 1
23 5402 1 1 12 GLN HA H 3.765 -3.218 -4.294 1.00 . A A . 12 GLN HA 1 1
23 5403 1 1 12 GLN HB2 H 1.583 -1.123 -3.899 1.00 . A A . 12 GLN HB2 1 1
23 5404 1 1 12 GLN HB3 H 2.206 -1.643 -5.452 1.00 . A A . 12 GLN HB3 1 1
23 5405 1 1 12 GLN HE21 H -1.322 -3.473 -3.637 1.00 . A A . 12 GLN HE21 1 1
23 5406 1 1 12 GLN HE22 H -2.247 -2.868 -4.971 1.00 . A A . 12 GLN HE22 1 1
23 5407 1 1 12 GLN HG2 H 1.505 -4.013 -4.882 1.00 . A A . 12 GLN HG2 1 1
23 5408 1 1 12 GLN HG3 H 0.781 -3.408 -3.406 1.00 . A A . 12 GLN HG3 1 1
23 5409 1 1 12 GLN N N 3.123 -2.824 -2.404 1.00 . A A . 12 GLN N 1 1
23 5410 1 1 12 GLN NE2 N -1.361 -3.064 -4.549 1.00 . A A . 12 GLN NE2 1 1
23 5411 1 1 12 GLN O O 5.107 -1.050 -4.723 1.00 . A A . 12 GLN O 1 1
23 5412 1 1 12 GLN OE1 O -0.201 -2.286 -6.315 1.00 . A A . 12 GLN OE1 1 1
23 5413 1 1 13 ABA C C 6.426 0.793 -3.096 1.00 . A A . 13 AIB C 1 1
23 5414 1 1 13 ABA CA C 4.946 0.886 -2.719 1.00 . A A . 13 AIB CA 1 1
23 5415 1 1 13 ABA H H 3.788 -0.627 -1.878 1.00 . A A . 13 AIB H 1 1
23 5416 1 1 13 ABA N N 4.277 -0.404 -2.721 1.00 . A A . 13 AIB N 1 1
23 5417 1 1 13 ABA O O 6.889 1.504 -3.986 1.00 . A A . 13 AIB O 1 1
23 5418 1 1 14 HYP C C 9.046 -0.785 -3.788 1.00 . A A . 14 HYP C 1 1
23 5419 1 1 14 HYP CA C 8.594 -0.156 -2.469 1.00 . A A . 14 HYP CA 1 1
23 5420 1 1 14 HYP CB C 9.039 -0.948 -1.250 1.00 . A A . 14 HYP CB 1 1
23 5421 1 1 14 HYP CD C 6.598 -1.120 -1.476 1.00 . A A . 14 HYP CD 1 1
23 5422 1 1 14 HYP CG C 7.812 -1.713 -0.780 1.00 . A A . 14 HYP CG 1 1
23 5423 1 1 14 HYP HA H 9.000 0.855 -2.464 1.00 . A A . 14 HYP HA 1 1
23 5424 1 1 14 HYP HB2 H 9.851 -1.629 -1.502 1.00 . A A . 14 HYP HB2 1 1
23 5425 1 1 14 HYP HB3 H 9.409 -0.285 -0.468 1.00 . A A . 14 HYP HB3 1 1
23 5426 1 1 14 HYP HD1 H 8.385 -1.819 1.195 1.00 . A A . 14 HYP HD1 1 1
23 5427 1 1 14 HYP HD22 H 6.042 -1.883 -2.020 1.00 . A A . 14 HYP HD22 1 1
23 5428 1 1 14 HYP HD23 H 5.909 -0.673 -0.759 1.00 . A A . 14 HYP HD23 1 1
23 5429 1 1 14 HYP HG H 7.903 -2.784 -0.957 1.00 . A A . 14 HYP HG 1 1
23 5430 1 1 14 HYP N N 7.144 -0.114 -2.382 1.00 . A A . 14 HYP N 1 1
23 5431 1 1 14 HYP O O 10.187 -0.602 -4.208 1.00 . A A . 14 HYP O 1 1
23 5432 1 1 14 HYP OD1 O 7.654 -1.388 0.666 1.00 . A A . 14 HYP OD1 1 1
23 5433 1 1 15 ABA C C 9.403 -1.947 -6.495 1.00 . A A . 15 AIB C 1 1
23 5434 1 1 15 ABA CA C 8.502 -2.510 -5.394 1.00 . A A . 15 AIB CA 1 1
23 5435 1 1 15 ABA H H 7.145 -1.435 -4.236 1.00 . A A . 15 AIB H 1 1
23 5436 1 1 15 ABA N N 8.128 -1.515 -4.404 1.00 . A A . 15 AIB N 1 1
23 5437 1 1 15 ABA O O 10.484 -2.475 -6.750 1.00 . A A . 15 AIB O 1 1
23 5438 1 1 16 PRO C C 10.777 0.140 -8.391 1.00 . A A . 16 PRO C 1 1
23 5439 1 1 16 PRO CA C 9.383 -0.486 -8.462 1.00 . A A . 16 PRO CA 1 1
23 5440 1 1 16 PRO CB C 8.330 0.466 -9.004 1.00 . A A . 16 PRO CB 1 1
23 5441 1 1 16 PRO CD C 7.894 0.058 -6.620 1.00 . A A . 16 PRO CD 1 1
23 5442 1 1 16 PRO CG C 7.551 0.960 -7.796 1.00 . A A . 16 PRO CG 1 1
23 5443 1 1 16 PRO HA H 9.477 -1.300 -9.035 1.00 . A A . 16 PRO HA 1 1
23 5444 1 1 16 PRO HB2 H 8.793 1.297 -9.537 1.00 . A A . 16 PRO HB2 1 1
23 5445 1 1 16 PRO HB3 H 7.674 -0.039 -9.712 1.00 . A A . 16 PRO HB3 1 1
23 5446 1 1 16 PRO HD2 H 8.272 0.635 -5.776 1.00 . A A . 16 PRO HD2 1 1
23 5447 1 1 16 PRO HD3 H 7.017 -0.484 -6.269 1.00 . A A . 16 PRO HD3 1 1
23 5448 1 1 16 PRO HG2 H 7.810 1.994 -7.571 1.00 . A A . 16 PRO HG2 1 1
23 5449 1 1 16 PRO HG3 H 6.480 0.935 -7.996 1.00 . A A . 16 PRO HG3 1 1
23 5450 1 1 16 PRO N N 8.910 -0.854 -7.137 1.00 . A A . 16 PRO N 1 1
23 5451 1 1 16 PRO O O 11.446 0.290 -9.412 1.00 . A A . 16 PRO O 1 1
23 5452 1 1 17 PHL C C 13.529 0.188 -6.542 1.00 . A A . 17 PHL C 1 1
23 5453 1 1 17 PHL CA C 12.440 1.172 -6.969 1.00 . A A . 17 PHL CA 1 1
23 5454 1 1 17 PHL CB C 12.221 2.191 -5.850 1.00 . A A . 17 PHL CB 1 1
23 5455 1 1 17 PHL CD1 C 11.039 4.015 -7.092 1.00 . A A . 17 PHL CD1 1 1
23 5456 1 1 17 PHL CD2 C 9.940 3.034 -5.254 1.00 . A A . 17 PHL CD2 1 1
23 5457 1 1 17 PHL CE1 C 9.925 4.872 -7.300 1.00 . A A . 17 PHL CE1 1 1
23 5458 1 1 17 PHL CE2 C 8.827 3.891 -5.462 1.00 . A A . 17 PHL CE2 1 1
23 5459 1 1 17 PHL CG C 11.022 3.114 -6.074 1.00 . A A . 17 PHL CG 1 1
23 5460 1 1 17 PHL CZ C 8.843 4.792 -6.480 1.00 . A A . 17 PHL CZ 1 1
23 5461 1 1 17 PHL H2 H 10.647 0.315 -6.344 1.00 . A A . 17 PHL H2 1 1
23 5462 1 1 17 PHL HA H 12.719 1.630 -7.919 1.00 . A A . 17 PHL HA 1 1
23 5463 1 1 17 PHL HB2 H 12.086 1.658 -4.908 1.00 . A A . 17 PHL HB2 1 1
23 5464 1 1 17 PHL HB3 H 13.120 2.799 -5.745 1.00 . A A . 17 PHL HB3 1 1
23 5465 1 1 17 PHL HC1 H 13.666 -0.555 -7.328 1.00 . A A . 17 PHL HC1 1 1
23 5466 1 1 17 PHL HC2 H 13.224 -0.301 -5.617 1.00 . A A . 17 PHL HC2 1 1
23 5467 1 1 17 PHL HD1 H 11.906 4.079 -7.750 1.00 . A A . 17 PHL HD1 1 1
23 5468 1 1 17 PHL HD2 H 9.927 2.312 -4.437 1.00 . A A . 17 PHL HD2 1 1
23 5469 1 1 17 PHL HE1 H 9.938 5.594 -8.116 1.00 . A A . 17 PHL HE1 1 1
23 5470 1 1 17 PHL HE2 H 7.959 3.826 -4.804 1.00 . A A . 17 PHL HE2 1 1
23 5471 1 1 17 PHL HO H 14.866 1.081 -5.351 1.00 . A A . 17 PHL HO 1 1
23 5472 1 1 17 PHL HZ H 7.989 5.450 -6.639 1.00 . A A . 17 PHL HZ 1 1
23 5473 1 1 17 PHL N N 11.173 0.490 -7.176 1.00 . A A . 17 PHL N 1 1
23 5474 1 1 17 PHL O O 14.777 0.837 -6.316 1.00 . A A . 17 PHL O 1 1
24 5475 1 1 1 ACE C C -9.621 2.880 4.078 1.00 . A A . 1 ACE C 1 1
24 5476 1 1 1 ACE CH3 C -11.032 2.486 4.352 1.00 . A A . 1 ACE CH3 1 1
24 5477 1 1 1 ACE H1 H -11.656 3.378 4.399 1.00 . A A . 1 ACE H1 1 1
24 5478 1 1 1 ACE H2 H -11.387 1.835 3.554 1.00 . A A . 1 ACE H2 1 1
24 5479 1 1 1 ACE H3 H -11.082 1.957 5.303 1.00 . A A . 1 ACE H3 1 1
24 5480 1 1 1 ACE O O -8.981 2.330 3.184 1.00 . A A . 1 ACE O 1 1
24 5481 1 1 2 TRP C C -6.848 3.117 5.008 1.00 . A A . 2 TRP C 1 1
24 5482 1 1 2 TRP CA C -7.775 4.301 4.728 1.00 . A A . 2 TRP CA 1 1
24 5483 1 1 2 TRP CB C -7.509 5.497 5.645 1.00 . A A . 2 TRP CB 1 1
24 5484 1 1 2 TRP CD1 C -8.907 7.640 5.311 1.00 . A A . 2 TRP CD1 1 1
24 5485 1 1 2 TRP CD2 C -7.132 7.540 3.991 1.00 . A A . 2 TRP CD2 1 1
24 5486 1 1 2 TRP CE2 C -7.785 8.723 3.714 1.00 . A A . 2 TRP CE2 1 1
24 5487 1 1 2 TRP CE3 C -5.954 7.178 3.313 1.00 . A A . 2 TRP CE3 1 1
24 5488 1 1 2 TRP CG C -7.866 6.849 5.023 1.00 . A A . 2 TRP CG 1 1
24 5489 1 1 2 TRP CH2 C -6.167 9.301 2.066 1.00 . A A . 2 TRP CH2 1 1
24 5490 1 1 2 TRP CZ2 C -7.338 9.641 2.755 1.00 . A A . 2 TRP CZ2 1 1
24 5491 1 1 2 TRP CZ3 C -5.521 8.105 2.357 1.00 . A A . 2 TRP CZ3 1 1
24 5492 1 1 2 TRP H H -9.679 4.296 5.571 1.00 . A A . 2 TRP H 1 1
24 5493 1 1 2 TRP HA H -7.637 4.650 3.705 1.00 . A A . 2 TRP HA 1 1
24 5494 1 1 2 TRP HB2 H -8.079 5.370 6.566 1.00 . A A . 2 TRP HB2 1 1
24 5495 1 1 2 TRP HB3 H -6.455 5.503 5.921 1.00 . A A . 2 TRP HB3 1 1
24 5496 1 1 2 TRP HD1 H -9.667 7.408 6.059 1.00 . A A . 2 TRP HD1 1 1
24 5497 1 1 2 TRP HE1 H -9.633 9.592 4.578 1.00 . A A . 2 TRP HE1 1 1
24 5498 1 1 2 TRP HE3 H -5.419 6.250 3.513 1.00 . A A . 2 TRP HE3 1 1
24 5499 1 1 2 TRP HH2 H -5.765 9.970 1.307 1.00 . A A . 2 TRP HH2 1 1
24 5500 1 1 2 TRP HZ2 H -7.873 10.569 2.555 1.00 . A A . 2 TRP HZ2 1 1
24 5501 1 1 2 TRP HZ3 H -4.611 7.872 1.802 1.00 . A A . 2 TRP HZ3 1 1
24 5502 1 1 2 TRP N N -9.146 3.839 4.860 1.00 . A A . 2 TRP N 1 1
24 5503 1 1 2 TRP NE1 N -8.900 8.787 4.542 1.00 . A A . 2 TRP NE1 1 1
24 5504 1 1 2 TRP O O -5.850 2.928 4.314 1.00 . A A . 2 TRP O 1 1
24 5505 1 1 3 ILE C C -6.326 0.180 5.364 1.00 . A A . 3 ILE C 1 1
24 5506 1 1 3 ILE CA C -6.376 1.244 6.463 1.00 . A A . 3 ILE CA 1 1
24 5507 1 1 3 ILE CB C -6.859 0.709 7.813 1.00 . A A . 3 ILE CB 1 1
24 5508 1 1 3 ILE CD1 C -4.867 1.171 9.291 1.00 . A A . 3 ILE CD1 1 1
24 5509 1 1 3 ILE CG1 C -6.312 1.556 8.965 1.00 . A A . 3 ILE CG1 1 1
24 5510 1 1 3 ILE CG2 C -6.510 -0.771 7.974 1.00 . A A . 3 ILE CG2 1 1
24 5511 1 1 3 ILE H H -8.056 2.472 6.544 1.00 . A A . 3 ILE H 1 1
24 5512 1 1 3 ILE HA H -5.369 1.633 6.612 1.00 . A A . 3 ILE HA 1 1
24 5513 1 1 3 ILE HB H -7.945 0.789 7.843 1.00 . A A . 3 ILE HB 1 1
24 5514 1 1 3 ILE HD11 H -4.855 0.208 9.801 1.00 . A A . 3 ILE HD11 1 1
24 5515 1 1 3 ILE HD12 H -4.293 1.100 8.367 1.00 . A A . 3 ILE HD12 1 1
24 5516 1 1 3 ILE HD13 H -4.426 1.931 9.936 1.00 . A A . 3 ILE HD13 1 1
24 5517 1 1 3 ILE HG12 H -6.359 2.612 8.699 1.00 . A A . 3 ILE HG12 1 1
24 5518 1 1 3 ILE HG13 H -6.936 1.422 9.848 1.00 . A A . 3 ILE HG13 1 1
24 5519 1 1 3 ILE HG21 H -7.114 -1.364 7.288 1.00 . A A . 3 ILE HG21 1 1
24 5520 1 1 3 ILE HG22 H -5.453 -0.921 7.750 1.00 . A A . 3 ILE HG22 1 1
24 5521 1 1 3 ILE HG23 H -6.712 -1.083 8.999 1.00 . A A . 3 ILE HG23 1 1
24 5522 1 1 3 ILE N N -7.211 2.349 6.024 1.00 . A A . 3 ILE N 1 1
24 5523 1 1 3 ILE O O -5.309 -0.488 5.188 1.00 . A A . 3 ILE O 1 1
24 5524 1 1 4 GLN C C -6.766 -0.510 2.367 1.00 . A A . 4 GLN C 1 1
24 5525 1 1 4 GLN CA C -7.549 -0.946 3.607 1.00 . A A . 4 GLN CA 1 1
24 5526 1 1 4 GLN CB C -9.015 -1.216 3.263 1.00 . A A . 4 GLN CB 1 1
24 5527 1 1 4 GLN CD C -11.160 -2.267 4.073 1.00 . A A . 4 GLN CD 1 1
24 5528 1 1 4 GLN CG C -9.645 -2.181 4.270 1.00 . A A . 4 GLN CG 1 1
24 5529 1 1 4 GLN H H -8.249 0.628 4.781 1.00 . A A . 4 GLN H 1 1
24 5530 1 1 4 GLN HA H -7.107 -1.850 4.024 1.00 . A A . 4 GLN HA 1 1
24 5531 1 1 4 GLN HB2 H -9.570 -0.279 3.256 1.00 . A A . 4 GLN HB2 1 1
24 5532 1 1 4 GLN HB3 H -9.085 -1.636 2.259 1.00 . A A . 4 GLN HB3 1 1
24 5533 1 1 4 GLN HE21 H -11.281 -3.301 5.809 1.00 . A A . 4 GLN HE21 1 1
24 5534 1 1 4 GLN HE22 H -12.789 -3.029 5.003 1.00 . A A . 4 GLN HE22 1 1
24 5535 1 1 4 GLN HG2 H -9.203 -3.170 4.156 1.00 . A A . 4 GLN HG2 1 1
24 5536 1 1 4 GLN HG3 H -9.425 -1.849 5.284 1.00 . A A . 4 GLN HG3 1 1
24 5537 1 1 4 GLN N N -7.437 0.057 4.653 1.00 . A A . 4 GLN N 1 1
24 5538 1 1 4 GLN NE2 N -11.796 -2.919 5.041 1.00 . A A . 4 GLN NE2 1 1
24 5539 1 1 4 GLN O O -5.948 -1.267 1.847 1.00 . A A . 4 GLN O 1 1
24 5540 1 1 4 GLN OE1 O -11.715 -1.773 3.104 1.00 . A A . 4 GLN OE1 1 1
24 5541 1 1 5 . C C -4.719 1.200 1.194 1.00 . A A . 5 DIV C 1 1
24 5542 1 1 5 . CA C -6.217 1.350 0.921 1.00 . A A . 5 DIV CA 1 1
24 5543 1 1 5 . CB1 C -6.510 0.741 -0.452 1.00 . A A . 5 DIV CB1 1 1
24 5544 1 1 5 . CB2 C -6.550 2.842 0.916 1.00 . A A . 5 DIV CB2 1 1
24 5545 1 1 5 . CG1 C -8.007 0.650 -0.758 1.00 . A A . 5 DIV CG1 1 1
24 5546 1 1 5 . H H -7.819 1.256 2.250 1.00 . A A . 5 DIV H 1 1
24 5547 1 1 5 . HB11 H -6.099 -0.266 -0.496 1.00 . A A . 5 DIV HB11 1 1
24 5548 1 1 5 . HB12 H -6.050 1.354 -1.227 1.00 . A A . 5 DIV HB12 1 1
24 5549 1 1 5 . HB21 H -5.943 3.345 0.162 1.00 . A A . 5 DIV HB21 1 1
24 5550 1 1 5 . HB22 H -7.606 2.977 0.679 1.00 . A A . 5 DIV HB22 1 1
24 5551 1 1 5 . HB23 H -6.339 3.266 1.897 1.00 . A A . 5 DIV HB23 1 1
24 5552 1 1 5 . HG11 H -8.435 1.651 -0.783 1.00 . A A . 5 DIV HG11 1 1
24 5553 1 1 5 . HG12 H -8.152 0.168 -1.724 1.00 . A A . 5 DIV HG12 1 1
24 5554 1 1 5 . HG13 H -8.500 0.063 0.018 1.00 . A A . 5 DIV HG13 1 1
24 5555 1 1 5 . N N -7.045 0.710 1.929 1.00 . A A . 5 DIV N 1 1
24 5556 1 1 5 . O O -3.955 0.830 0.303 1.00 . A A . 5 DIV O 1 1
24 5557 1 1 6 ILE C C -2.478 -0.044 2.697 1.00 . A A . 6 ILE C 1 1
24 5558 1 1 6 ILE CA C -2.951 1.405 2.831 1.00 . A A . 6 ILE CA 1 1
24 5559 1 1 6 ILE CB C -2.758 1.988 4.233 1.00 . A A . 6 ILE CB 1 1
24 5560 1 1 6 ILE CD1 C -3.057 4.087 5.598 1.00 . A A . 6 ILE CD1 1 1
24 5561 1 1 6 ILE CG1 C -2.800 3.517 4.201 1.00 . A A . 6 ILE CG1 1 1
24 5562 1 1 6 ILE CG2 C -1.470 1.463 4.871 1.00 . A A . 6 ILE CG2 1 1
24 5563 1 1 6 ILE H H -4.973 1.790 3.150 1.00 . A A . 6 ILE H 1 1
24 5564 1 1 6 ILE HA H -2.373 2.022 2.143 1.00 . A A . 6 ILE HA 1 1
24 5565 1 1 6 ILE HB H -3.586 1.655 4.858 1.00 . A A . 6 ILE HB 1 1
24 5566 1 1 6 ILE HD11 H -2.154 3.990 6.201 1.00 . A A . 6 ILE HD11 1 1
24 5567 1 1 6 ILE HD12 H -3.328 5.139 5.517 1.00 . A A . 6 ILE HD12 1 1
24 5568 1 1 6 ILE HD13 H -3.870 3.538 6.071 1.00 . A A . 6 ILE HD13 1 1
24 5569 1 1 6 ILE HG12 H -1.857 3.903 3.814 1.00 . A A . 6 ILE HG12 1 1
24 5570 1 1 6 ILE HG13 H -3.584 3.848 3.519 1.00 . A A . 6 ILE HG13 1 1
24 5571 1 1 6 ILE HG21 H -1.572 0.397 5.069 1.00 . A A . 6 ILE HG21 1 1
24 5572 1 1 6 ILE HG22 H -0.634 1.630 4.193 1.00 . A A . 6 ILE HG22 1 1
24 5573 1 1 6 ILE HG23 H -1.288 1.990 5.808 1.00 . A A . 6 ILE HG23 1 1
24 5574 1 1 6 ILE N N -4.344 1.495 2.430 1.00 . A A . 6 ILE N 1 1
24 5575 1 1 6 ILE O O -1.498 -0.320 2.006 1.00 . A A . 6 ILE O 1 1
24 5576 1 1 7 THR C C -2.545 -2.909 2.079 1.00 . A A . 7 THR C 1 1
24 5577 1 1 7 THR CA C -2.770 -2.317 3.471 1.00 . A A . 7 THR CA 1 1
24 5578 1 1 7 THR CB C -3.815 -3.074 4.293 1.00 . A A . 7 THR CB 1 1
24 5579 1 1 7 THR CG2 C -3.437 -4.540 4.512 1.00 . A A . 7 THR CG2 1 1
24 5580 1 1 7 THR H H -4.053 -0.718 3.837 1.00 . A A . 7 THR H 1 1
24 5581 1 1 7 THR HA H -1.811 -2.344 3.988 1.00 . A A . 7 THR HA 1 1
24 5582 1 1 7 THR HB H -4.803 -2.991 3.838 1.00 . A A . 7 THR HB 1 1
24 5583 1 1 7 THR HG1 H -4.603 -2.096 5.850 1.00 . A A . 7 THR HG1 1 1
24 5584 1 1 7 THR HG21 H -4.086 -4.973 5.275 1.00 . A A . 7 THR HG21 1 1
24 5585 1 1 7 THR HG22 H -3.557 -5.090 3.578 1.00 . A A . 7 THR HG22 1 1
24 5586 1 1 7 THR HG23 H -2.399 -4.603 4.839 1.00 . A A . 7 THR HG23 1 1
24 5587 1 1 7 THR N N -3.196 -0.931 3.369 1.00 . A A . 7 THR N 1 1
24 5588 1 1 7 THR O O -1.557 -3.604 1.848 1.00 . A A . 7 THR O 1 1
24 5589 1 1 7 THR OG1 O -3.724 -2.494 5.591 1.00 . A A . 7 THR OG1 1 1
24 5590 1 1 8 ABA C C -2.234 -2.639 -0.967 1.00 . A A . 8 AIB C 1 1
24 5591 1 1 8 ABA CA C -3.426 -3.156 -0.160 1.00 . A A . 8 AIB CA 1 1
24 5592 1 1 8 ABA H H -4.259 -2.014 1.371 1.00 . A A . 8 AIB H 1 1
24 5593 1 1 8 ABA N N -3.478 -2.613 1.187 1.00 . A A . 8 AIB N 1 1
24 5594 1 1 8 ABA O O -1.666 -3.369 -1.779 1.00 . A A . 8 AIB O 1 1
24 5595 1 1 9 LEU C C 0.502 -0.963 -0.856 1.00 . A A . 9 LEU C 1 1
24 5596 1 1 9 LEU CA C -0.864 -0.719 -1.500 1.00 . A A . 9 LEU CA 1 1
24 5597 1 1 9 LEU CB C -1.204 0.761 -1.679 1.00 . A A . 9 LEU CB 1 1
24 5598 1 1 9 LEU CD1 C -2.909 2.515 -2.293 1.00 . A A . 9 LEU CD1 1 1
24 5599 1 1 9 LEU CD2 C -2.245 0.736 -3.976 1.00 . A A . 9 LEU CD2 1 1
24 5600 1 1 9 LEU CG C -2.460 1.067 -2.497 1.00 . A A . 9 LEU CG 1 1
24 5601 1 1 9 LEU H H -2.297 -0.828 0.008 1.00 . A A . 9 LEU H 1 1
24 5602 1 1 9 LEU HA H -0.864 -1.173 -2.491 1.00 . A A . 9 LEU HA 1 1
24 5603 1 1 9 LEU HB2 H -1.320 1.210 -0.693 1.00 . A A . 9 LEU HB2 1 1
24 5604 1 1 9 LEU HB3 H -0.356 1.253 -2.156 1.00 . A A . 9 LEU HB3 1 1
24 5605 1 1 9 LEU HD11 H -3.063 2.701 -1.231 1.00 . A A . 9 LEU HD11 1 1
24 5606 1 1 9 LEU HD12 H -2.143 3.190 -2.674 1.00 . A A . 9 LEU HD12 1 1
24 5607 1 1 9 LEU HD13 H -3.843 2.685 -2.831 1.00 . A A . 9 LEU HD13 1 1
24 5608 1 1 9 LEU HD21 H -2.069 -0.334 -4.087 1.00 . A A . 9 LEU HD21 1 1
24 5609 1 1 9 LEU HD22 H -3.132 1.019 -4.544 1.00 . A A . 9 LEU HD22 1 1
24 5610 1 1 9 LEU HD23 H -1.382 1.288 -4.350 1.00 . A A . 9 LEU HD23 1 1
24 5611 1 1 9 LEU HG H -3.265 0.426 -2.139 1.00 . A A . 9 LEU HG 1 1
24 5612 1 1 9 LEU N N -1.890 -1.385 -0.715 1.00 . A A . 9 LEU N 1 1
24 5613 1 1 9 LEU O O 1.535 -0.820 -1.509 1.00 . A A . 9 LEU O 1 1
24 5614 1 1 10 ABA C C 2.826 -2.102 0.533 1.00 . A A . 10 AIB C 1 1
24 5615 1 1 10 ABA CA C 1.675 -1.365 1.221 1.00 . A A . 10 AIB CA 1 1
24 5616 1 1 10 ABA H H -0.371 -1.589 0.900 1.00 . A A . 10 AIB H 1 1
24 5617 1 1 10 ABA N N 0.465 -1.325 0.418 1.00 . A A . 10 AIB N 1 1
24 5618 1 1 10 ABA O O 3.923 -1.562 0.398 1.00 . A A . 10 AIB O 1 1
24 5619 1 1 11 HYP C C 4.010 -3.833 -1.800 1.00 . A A . 11 HYP C 1 1
24 5620 1 1 11 HYP CA C 3.565 -4.244 -0.395 1.00 . A A . 11 HYP CA 1 1
24 5621 1 1 11 HYP CB C 2.952 -5.634 -0.349 1.00 . A A . 11 HYP CB 1 1
24 5622 1 1 11 HYP CD C 1.201 -3.965 0.082 1.00 . A A . 11 HYP CD 1 1
24 5623 1 1 11 HYP CG C 1.448 -5.422 -0.270 1.00 . A A . 11 HYP CG 1 1
24 5624 1 1 11 HYP HA H 4.453 -4.174 0.234 1.00 . A A . 11 HYP HA 1 1
24 5625 1 1 11 HYP HB2 H 3.219 -6.208 -1.236 1.00 . A A . 11 HYP HB2 1 1
24 5626 1 1 11 HYP HB3 H 3.313 -6.193 0.514 1.00 . A A . 11 HYP HB3 1 1
24 5627 1 1 11 HYP HD1 H 0.253 -6.837 0.630 1.00 . A A . 11 HYP HD1 1 1
24 5628 1 1 11 HYP HD22 H 0.557 -3.484 -0.654 1.00 . A A . 11 HYP HD22 1 1
24 5629 1 1 11 HYP HD23 H 0.705 -3.869 1.048 1.00 . A A . 11 HYP HD23 1 1
24 5630 1 1 11 HYP HG H 0.943 -5.713 -1.191 1.00 . A A . 11 HYP HG 1 1
24 5631 1 1 11 HYP N N 2.528 -3.358 0.104 1.00 . A A . 11 HYP N 1 1
24 5632 1 1 11 HYP O O 5.051 -4.278 -2.280 1.00 . A A . 11 HYP O 1 1
24 5633 1 1 11 HYP OD1 O 0.984 -6.212 0.905 1.00 . A A . 11 HYP OD1 1 1
24 5634 1 1 12 GLN C C 4.333 -1.407 -3.905 1.00 . A A . 12 GLN C 1 1
24 5635 1 1 12 GLN CA C 3.414 -2.626 -3.809 1.00 . A A . 12 GLN CA 1 1
24 5636 1 1 12 GLN CB C 2.085 -2.367 -4.520 1.00 . A A . 12 GLN CB 1 1
24 5637 1 1 12 GLN CD C -0.083 -3.388 -5.304 1.00 . A A . 12 GLN CD 1 1
24 5638 1 1 12 GLN CG C 1.209 -3.621 -4.519 1.00 . A A . 12 GLN CG 1 1
24 5639 1 1 12 GLN H H 2.409 -2.553 -1.986 1.00 . A A . 12 GLN H 1 1
24 5640 1 1 12 GLN HA H 3.899 -3.491 -4.261 1.00 . A A . 12 GLN HA 1 1
24 5641 1 1 12 GLN HB2 H 1.558 -1.551 -4.027 1.00 . A A . 12 GLN HB2 1 1
24 5642 1 1 12 GLN HB3 H 2.273 -2.051 -5.546 1.00 . A A . 12 GLN HB3 1 1
24 5643 1 1 12 GLN HE21 H -1.105 -3.486 -3.559 1.00 . A A . 12 GLN HE21 1 1
24 5644 1 1 12 GLN HE22 H -2.072 -3.214 -4.971 1.00 . A A . 12 GLN HE22 1 1
24 5645 1 1 12 GLN HG2 H 1.760 -4.454 -4.957 1.00 . A A . 12 GLN HG2 1 1
24 5646 1 1 12 GLN HG3 H 0.970 -3.901 -3.493 1.00 . A A . 12 GLN HG3 1 1
24 5647 1 1 12 GLN N N 3.199 -2.987 -2.418 1.00 . A A . 12 GLN N 1 1
24 5648 1 1 12 GLN NE2 N -1.177 -3.360 -4.549 1.00 . A A . 12 GLN NE2 1 1
24 5649 1 1 12 GLN O O 5.062 -1.248 -4.883 1.00 . A A . 12 GLN O 1 1
24 5650 1 1 12 GLN OE1 O -0.086 -3.244 -6.516 1.00 . A A . 12 GLN OE1 1 1
24 5651 1 1 13 ABA C C 6.374 0.671 -3.335 1.00 . A A . 13 AIB C 1 1
24 5652 1 1 13 ABA CA C 4.900 0.733 -2.929 1.00 . A A . 13 AIB CA 1 1
24 5653 1 1 13 ABA H H 3.802 -0.784 -2.016 1.00 . A A . 13 AIB H 1 1
24 5654 1 1 13 ABA N N 4.271 -0.576 -2.875 1.00 . A A . 13 AIB N 1 1
24 5655 1 1 13 ABA O O 6.798 1.364 -4.258 1.00 . A A . 13 AIB O 1 1
24 5656 1 1 14 HYP C C 9.085 -0.764 -3.987 1.00 . A A . 14 HYP C 1 1
24 5657 1 1 14 HYP CA C 8.585 -0.151 -2.678 1.00 . A A . 14 HYP CA 1 1
24 5658 1 1 14 HYP CB C 9.061 -0.907 -1.448 1.00 . A A . 14 HYP CB 1 1
24 5659 1 1 14 HYP CD C 6.636 -1.216 -1.696 1.00 . A A . 14 HYP CD 1 1
24 5660 1 1 14 HYP CG C 7.874 -1.735 -0.983 1.00 . A A . 14 HYP CG 1 1
24 5661 1 1 14 HYP HA H 8.934 0.882 -2.677 1.00 . A A . 14 HYP HA 1 1
24 5662 1 1 14 HYP HB2 H 9.912 -1.543 -1.686 1.00 . A A . 14 HYP HB2 1 1
24 5663 1 1 14 HYP HB3 H 9.386 -0.219 -0.668 1.00 . A A . 14 HYP HB3 1 1
24 5664 1 1 14 HYP HD1 H 7.558 -0.423 0.570 1.00 . A A . 14 HYP HD1 1 1
24 5665 1 1 14 HYP HD22 H 6.128 -2.013 -2.239 1.00 . A A . 14 HYP HD22 1 1
24 5666 1 1 14 HYP HD23 H 5.915 -0.804 -0.989 1.00 . A A . 14 HYP HD23 1 1
24 5667 1 1 14 HYP HG H 8.027 -2.801 -1.151 1.00 . A A . 14 HYP HG 1 1
24 5668 1 1 14 HYP N N 7.134 -0.189 -2.606 1.00 . A A . 14 HYP N 1 1
24 5669 1 1 14 HYP O O 10.165 -0.421 -4.465 1.00 . A A . 14 HYP O 1 1
24 5670 1 1 14 HYP OD1 O 7.683 -1.409 0.458 1.00 . A A . 14 HYP OD1 1 1
24 5671 1 1 15 ABA C C 9.633 -2.024 -6.582 1.00 . A A . 15 AIB C 1 1
24 5672 1 1 15 ABA CA C 8.774 -2.643 -5.478 1.00 . A A . 15 AIB CA 1 1
24 5673 1 1 15 ABA H H 7.298 -1.724 -4.332 1.00 . A A . 15 AIB H 1 1
24 5674 1 1 15 ABA N N 8.276 -1.662 -4.530 1.00 . A A . 15 AIB N 1 1
24 5675 1 1 15 ABA O O 10.776 -2.431 -6.788 1.00 . A A . 15 AIB O 1 1
24 5676 1 1 16 PRO C C 10.832 0.329 -8.274 1.00 . A A . 16 PRO C 1 1
24 5677 1 1 16 PRO CA C 9.601 -0.543 -8.531 1.00 . A A . 16 PRO CA 1 1
24 5678 1 1 16 PRO CB C 8.469 0.213 -9.211 1.00 . A A . 16 PRO CB 1 1
24 5679 1 1 16 PRO CD C 7.806 -0.331 -6.908 1.00 . A A . 16 PRO CD 1 1
24 5680 1 1 16 PRO CG C 7.460 0.522 -8.117 1.00 . A A . 16 PRO CG 1 1
24 5681 1 1 16 PRO HA H 9.920 -1.310 -9.088 1.00 . A A . 16 PRO HA 1 1
24 5682 1 1 16 PRO HB2 H 8.835 1.129 -9.675 1.00 . A A . 16 PRO HB2 1 1
24 5683 1 1 16 PRO HB3 H 8.019 -0.387 -10.000 1.00 . A A . 16 PRO HB3 1 1
24 5684 1 1 16 PRO HD2 H 7.955 0.284 -6.019 1.00 . A A . 16 PRO HD2 1 1
24 5685 1 1 16 PRO HD3 H 7.007 -1.035 -6.677 1.00 . A A . 16 PRO HD3 1 1
24 5686 1 1 16 PRO HG2 H 7.489 1.581 -7.860 1.00 . A A . 16 PRO HG2 1 1
24 5687 1 1 16 PRO HG3 H 6.448 0.305 -8.460 1.00 . A A . 16 PRO HG3 1 1
24 5688 1 1 16 PRO N N 9.034 -1.025 -7.284 1.00 . A A . 16 PRO N 1 1
24 5689 1 1 16 PRO O O 11.556 0.677 -9.205 1.00 . A A . 16 PRO O 1 1
24 5690 1 1 17 PHL C C 13.224 0.547 -5.900 1.00 . A A . 17 PHL C 1 1
24 5691 1 1 17 PHL CA C 12.193 1.431 -6.607 1.00 . A A . 17 PHL CA 1 1
24 5692 1 1 17 PHL CB C 11.703 2.502 -5.630 1.00 . A A . 17 PHL CB 1 1
24 5693 1 1 17 PHL CD1 C 9.394 3.287 -6.197 1.00 . A A . 17 PHL CD1 1 1
24 5694 1 1 17 PHL CD2 C 11.213 4.633 -6.851 1.00 . A A . 17 PHL CD2 1 1
24 5695 1 1 17 PHL CE1 C 8.494 4.224 -6.770 1.00 . A A . 17 PHL CE1 1 1
24 5696 1 1 17 PHL CE2 C 10.313 5.570 -7.425 1.00 . A A . 17 PHL CE2 1 1
24 5697 1 1 17 PHL CG C 10.734 3.511 -6.249 1.00 . A A . 17 PHL CG 1 1
24 5698 1 1 17 PHL CZ C 8.972 5.345 -7.372 1.00 . A A . 17 PHL CZ 1 1
24 5699 1 1 17 PHL H2 H 10.415 0.403 -6.259 1.00 . A A . 17 PHL H2 1 1
24 5700 1 1 17 PHL HA H 12.633 1.846 -7.514 1.00 . A A . 17 PHL HA 1 1
24 5701 1 1 17 PHL HB2 H 11.215 2.014 -4.787 1.00 . A A . 17 PHL HB2 1 1
24 5702 1 1 17 PHL HB3 H 12.566 3.038 -5.232 1.00 . A A . 17 PHL HB3 1 1
24 5703 1 1 17 PHL HC1 H 13.439 -0.318 -6.528 1.00 . A A . 17 PHL HC1 1 1
24 5704 1 1 17 PHL HC2 H 12.816 0.222 -4.944 1.00 . A A . 17 PHL HC2 1 1
24 5705 1 1 17 PHL HD1 H 9.010 2.388 -5.714 1.00 . A A . 17 PHL HD1 1 1
24 5706 1 1 17 PHL HD2 H 12.287 4.813 -6.893 1.00 . A A . 17 PHL HD2 1 1
24 5707 1 1 17 PHL HE1 H 7.420 4.044 -6.728 1.00 . A A . 17 PHL HE1 1 1
24 5708 1 1 17 PHL HE2 H 10.696 6.468 -7.908 1.00 . A A . 17 PHL HE2 1 1
24 5709 1 1 17 PHL HO H 14.435 1.638 -4.740 1.00 . A A . 17 PHL HO 1 1
24 5710 1 1 17 PHL HZ H 8.282 6.065 -7.813 1.00 . A A . 17 PHL HZ 1 1
24 5711 1 1 17 PHL N N 11.030 0.657 -7.006 1.00 . A A . 17 PHL N 1 1
24 5712 1 1 17 PHL O O 14.444 1.242 -5.658 1.00 . A A . 17 PHL O 1 1
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