NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
554927 |
2m1f   |
18861 | cing | 4-filtered-FRED | STAR | entry | full | 127 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2m1f
# This FRED archive file contains, for PDB entry <2m1f>:
#
# - Coordinates and sequence information from the PDB mmCIF file
# - NMR restraints from the PDB MR file
#
# In this file, the coordinates and NMR restraints share the same atom names,
# and in this way can differ from the data deposited at the wwPDB. To achieve
# this aim, the NMR restraints were parsed from their original format files, and
# the coordinates and NMR restraints information were subsequently harmonized.
#
# Due to the complexity of this harmonization process and the filtering process
# used in creating these files, the NMR restraints information in these files
# may differ significantly from that in the originally deposited file. Other
# modifications could have occurred to the NMR restraints information, or data
# could have been lost because of parsing or conversion errors. The PDB file
# remains the authoritative reference for the atomic coordinates and the
# originally deposited restraints files remain the primary reference for these
# data.
#
# This file is generated at the BioMagResBank (BMRB) in collaboration with the
# PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and
# the CMBI/IMM group at the Radboud University of Nijmegen.
#
# Several software packages were used to produce this file:
#
# - Wattos (BMRB and CMBI/IMM).
# - FormatConverter and NMRStarExport (PDBe).
# - CCPN framework (http://www.ccpn.ac.uk/).
#
# More information about this process can be found in the references below.
# Please cite the original reference for this PDB entry.
#
# JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL
# Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED
# containing converted and filtered sets of experimental NMR restraints and
# coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12.
#
# WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL
# Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy:
# development of a software pipeline. Proteins 59, 687-696.
#
# JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister,
# G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for
# 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389?396.
save_Conversion_project_for_entry_Name_1
_Study_list.Sf_category study_list
_Study_list.Entry_ID 1
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project for entry 1" NMR . 1 1
stop_
save_
save_originalConstraints_1
_Entry.PDB_coordinate_file_version .
_Entry.Sf_category entry_information
_Entry.ID 1
_Entry.Title "Data for entry 1"
_Entry.NMR_STAR_version 3.1.0.8
_Entry.Experimental_method NMR
_Entry.Details .
save_
save_assembly_2m1f
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 2m1f
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 1490.57
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 $Antiamoebin_I A . 1 1
stop_
save_
save_Antiamoebin_I
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "Antiamoebin I"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code XFXXXXGLXXXQXXXPX
_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 PHE . 1 1
3 ABA $ABA 1 1
4 ABA $ABA 1 1
5 ABA $ABA 1 1
6 . $. 1 1
7 GLY . 1 1
8 LEU . 1 1
9 ABA $ABA 1 1
10 ABA $ABA 1 1
11 HYP $HYP 1 1
12 GLN . 1 1
13 . $. 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
PHE 2 2 1 1
ABA 3 3 1 1
ABA 4 4 1 1
ABA 5 5 1 1
. 6 6 1 1
GLY 7 7 1 1
LEU 8 8 1 1
ABA 9 9 1 1
ABA 10 10 1 1
HYP 11 11 1 1
GLN 12 12 1 1
. 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
72 1 . . . 1 1
73 1 . . . 1 1
74 1 . . . 1 1
75 1 . . . 1 1
76 1 . . . 1 1
77 1 . . . 1 1
78 1 . . . 1 1
79 1 . . . 1 1
80 1 . . . 1 1
81 1 . . . 1 1
82 1 . . . 1 1
83 1 . . . 1 1
84 1 . . . 1 1
85 1 . . . 1 1
86 1 . . . 1 1
87 1 . . . 1 1
88 1 . . . 1 1
89 1 . . . 1 1
90 1 . . . 1 1
91 1 . . . 1 1
92 1 . . . 1 1
93 1 . . . 1 1
94 1 . . . 1 1
95 1 . . . 1 1
96 1 . . . 1 1
97 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 16 PRO HB3 . 16 PRO HB3 1 1
1 1 2 1 1 17 PHL H . 17 PHL H 1 1
2 1 1 1 1 17 PHL H . 17 PHL H 1 1
2 1 2 1 1 17 PHL HB2 . 17 PHL HB2 1 1
3 1 1 1 1 16 PRO HB2 . 16 PRO HB2 1 1
3 1 2 1 1 17 PHL H . 17 PHL H 1 1
4 1 1 1 1 16 PRO HG3 . 16 PRO HG2 1 1
4 1 2 1 1 17 PHL H . 17 PHL H 1 1
5 1 1 1 1 17 PHL H . 17 PHL H 1 1
5 1 2 1 1 17 PHL HB3 . 17 PHL HB3 1 1
6 1 1 1 1 14 HYP HA . 14 HYP HA 1 1
6 1 2 1 1 17 PHL H . 17 PHL H 1 1
7 1 1 1 1 6 . H . 6 DIV H 1 1
7 1 2 1 1 6 . HB11 . 6 DIV HB11 1 1
8 1 1 1 1 2 PHE HA . 2 PHE HA 1 1
8 1 2 1 1 6 . H . 6 DIV H 1 1
9 1 1 1 1 4 ABA H . 4 AIB QQB 1 1
9 1 2 1 1 6 . H . 6 DIV H 1 1
10 1 1 1 1 6 . H . 6 DIV H 1 1
10 1 2 1 1 7 GLY H . 7 GLY H 1 1
11 1 1 1 1 6 . H . 6 DIV H 1 1
11 1 2 1 1 7 GLY QA . 7 GLY QA 1 1
12 1 1 1 1 6 . H . 6 DIV H 1 1
12 1 2 1 1 6 . HB12 . 6 DIV HB12 1 1
13 1 1 1 1 5 ABA H . 5 AIB QQB 1 1
13 1 2 1 1 6 . H . 6 DIV H 1 1
14 1 1 1 1 12 GLN HA . 12 GLN HA 1 1
14 1 2 1 1 15 ABA H . 15 AIB H 1 1
15 1 1 1 1 15 ABA H . 15 AIB H 1 1
15 1 2 1 1 16 PRO QD . 16 PRO HD3 1 1
16 1 1 1 1 13 . HB11 . 13 DIV HB11 1 1
16 1 2 1 1 15 ABA H . 15 AIB H 1 1
17 1 1 1 1 14 HYP HD23 . 14 HYP HD23 1 1
17 1 2 1 1 15 ABA H . 15 AIB H 1 1
18 1 1 1 1 14 HYP HB2 . 14 HYP HB2 1 1
18 1 2 1 1 15 ABA H . 15 AIB H 1 1
19 1 1 1 1 14 HYP HD22 . 14 HYP HD22 1 1
19 1 2 1 1 15 ABA H . 15 AIB H 1 1
20 1 1 1 1 13 . HB12 . 13 DIV HB12 1 1
20 1 2 1 1 15 ABA H . 15 AIB H 1 1
21 1 1 1 1 13 . H . 13 DIV H 1 1
21 1 2 1 1 13 . HB11 . 13 DIV HB11 1 1
22 1 1 1 1 11 HYP HA . 11 HYP HA 1 1
22 1 2 1 1 13 . H . 13 DIV H 1 1
23 1 1 1 1 13 . H . 13 DIV H 1 1
23 1 2 1 1 14 HYP HD23 . 14 HYP HD23 1 1
24 1 1 1 1 13 . H . 13 DIV H 1 1
24 1 2 1 1 14 HYP HD22 . 14 HYP HD22 1 1
25 1 1 1 1 13 . H . 13 DIV H 1 1
25 1 2 1 1 13 . HB12 . 13 DIV HB12 1 1
26 1 1 1 1 12 GLN H . 12 GLN H 1 1
26 1 2 1 1 13 . H . 13 DIV H 1 1
27 1 1 1 1 6 . HB11 . 6 DIV HB11 1 1
27 1 2 1 1 7 GLY H . 7 GLY H 1 1
28 1 1 1 1 4 ABA H . 4 AIB QQB 1 1
28 1 2 1 1 7 GLY H . 7 GLY H 1 1
29 1 1 1 1 7 GLY H . 7 GLY H 1 1
29 1 2 1 1 8 LEU H . 8 LEU H 1 1
30 1 1 1 1 6 . HB12 . 6 DIV HB12 1 1
30 1 2 1 1 7 GLY H . 7 GLY H 1 1
31 1 1 1 1 5 ABA H . 5 AIB QQB 1 1
31 1 2 1 1 7 GLY H . 7 GLY H 1 1
32 1 1 1 1 9 ABA H . 9 AIB H 1 1
32 1 2 1 1 11 HYP HD23 . 11 HYP HD23 1 1
33 1 1 1 1 6 . HB11 . 6 DIV HB11 1 1
33 1 2 1 1 9 ABA H . 9 AIB H 1 1
34 1 1 1 1 8 LEU MD2 . 8 LEU QD2 1 1
34 1 2 1 1 9 ABA H . 9 AIB H 1 1
35 1 1 1 1 9 ABA H . 9 AIB H 1 1
35 1 2 1 1 11 HYP HD22 . 11 HYP HD22 1 1
36 1 1 1 1 7 GLY H . 7 GLY H 1 1
36 1 2 1 1 9 ABA H . 9 AIB H 1 1
37 1 1 1 1 8 LEU MD1 . 8 LEU QD1 1 1
37 1 2 1 1 9 ABA H . 9 AIB H 1 1
38 1 1 1 1 7 GLY QA . 7 GLY QA 1 1
38 1 2 1 1 9 ABA H . 9 AIB H 1 1
39 1 1 1 1 6 . HB12 . 6 DIV HB12 1 1
39 1 2 1 1 9 ABA H . 9 AIB H 1 1
40 1 1 1 1 8 LEU HA . 8 LEU HA 1 1
40 1 2 1 1 9 ABA H . 9 AIB H 1 1
41 1 1 1 1 9 ABA H . 9 AIB H 1 1
41 1 2 1 1 10 ABA H . 10 AIB H 1 1
42 1 1 1 1 6 . HB11 . 6 DIV HB11 1 1
42 1 2 1 1 8 LEU H . 8 LEU H 1 1
43 1 1 1 1 8 LEU H . 8 LEU H 1 1
43 1 2 1 1 8 LEU MD2 . 8 LEU QD2 1 1
44 1 1 1 1 8 LEU H . 8 LEU H 1 1
44 1 2 1 1 9 ABA H . 9 AIB H 1 1
45 1 1 1 1 8 LEU H . 8 LEU H 1 1
45 1 2 1 1 8 LEU MD1 . 8 LEU QD1 1 1
46 1 1 1 1 7 GLY QA . 7 GLY QA 1 1
46 1 2 1 1 8 LEU H . 8 LEU H 1 1
47 1 1 1 1 8 LEU H . 8 LEU H 1 1
47 1 2 1 1 10 ABA H . 10 AIB H 1 1
48 1 1 1 1 2 PHE HA . 2 PHE HA 1 1
48 1 2 1 1 4 ABA H . 4 AIB H 1 1
49 1 1 1 1 2 PHE HB2 . 2 PHE HB2 1 1
49 1 2 1 1 4 ABA H . 4 AIB H 1 1
50 1 1 1 1 2 PHE HB3 . 2 PHE HB3 1 1
50 1 2 1 1 4 ABA H . 4 AIB H 1 1
51 1 1 1 1 4 ABA H . 4 AIB H 1 1
51 1 2 1 1 5 ABA H . 5 AIB H 1 1
52 1 1 1 1 3 ABA H . 3 AIB H 1 1
52 1 2 1 1 4 ABA H . 4 AIB H 1 1
53 1 1 1 1 2 PHE H . 2 PHE H 1 1
53 1 2 1 1 2 PHE HB2 . 2 PHE HB2 1 1
54 1 1 1 1 2 PHE H . 2 PHE H 1 1
54 1 2 1 1 2 PHE HB3 . 2 PHE HB3 1 1
55 1 1 1 1 2 PHE HA . 2 PHE HA 1 1
55 1 2 1 1 5 ABA H . 5 AIB H 1 1
56 1 1 1 1 3 ABA H . 3 AIB H 1 1
56 1 2 1 1 5 ABA H . 5 AIB H 1 1
57 1 1 1 1 10 ABA H . 10 AIB H 1 1
57 1 2 1 1 11 HYP HD23 . 11 HYP HD23 1 1
58 1 1 1 1 6 . HB11 . 6 DIV HB11 1 1
58 1 2 1 1 10 ABA H . 10 AIB H 1 1
59 1 1 1 1 10 ABA H . 10 AIB H 1 1
59 1 2 1 1 12 GLN QB . 12 GLN HB2 1 1
60 1 1 1 1 10 ABA H . 10 AIB H 1 1
60 1 2 1 1 11 HYP HD22 . 11 HYP HD22 1 1
61 1 1 1 1 10 ABA H . 10 AIB H 1 1
61 1 2 1 1 11 HYP HB2 . 11 HYP HB2 1 1
62 1 1 1 1 7 GLY QA . 7 GLY QA 1 1
62 1 2 1 1 10 ABA H . 10 AIB H 1 1
63 1 1 1 1 6 . HB12 . 6 DIV HB12 1 1
63 1 2 1 1 10 ABA H . 10 AIB H 1 1
64 1 1 1 1 8 LEU QB . 8 LEU HB3 1 1
64 1 2 1 1 10 ABA H . 10 AIB H 1 1
65 1 1 1 1 10 ABA H . 10 AIB H 1 1
65 1 2 1 1 11 HYP HG . 11 HYP HG 1 1
66 1 1 1 1 8 LEU HA . 8 LEU HA 1 1
66 1 2 1 1 10 ABA H . 10 AIB H 1 1
67 1 1 1 1 10 ABA H . 10 AIB H 1 1
67 1 2 1 1 12 GLN H . 12 GLN H 1 1
68 1 1 1 1 8 LEU HG . 8 LEU HG 1 1
68 1 2 1 1 10 ABA H . 10 AIB H 1 1
69 1 1 1 1 11 HYP HD23 . 11 HYP HD23 1 1
69 1 2 1 1 12 GLN H . 12 GLN H 1 1
70 1 1 1 1 11 HYP HD22 . 11 HYP HD22 1 1
70 1 2 1 1 12 GLN H . 12 GLN H 1 1
71 1 1 1 1 12 GLN H . 12 GLN H 1 1
71 1 2 1 1 14 HYP HD23 . 14 HYP HD23 1 1
72 1 1 1 1 12 GLN H . 12 GLN H 1 1
72 1 2 1 1 12 GLN HE21 . 12 GLN HE21 1 1
73 1 1 1 1 11 HYP HB2 . 11 HYP HB2 1 1
73 1 2 1 1 12 GLN H . 12 GLN H 1 1
74 1 1 1 1 11 HYP HG . 11 HYP HG 1 1
74 1 2 1 1 12 GLN H . 12 GLN H 1 1
75 1 1 1 1 12 GLN H . 12 GLN H 1 1
75 1 2 1 1 14 HYP HD22 . 14 HYP HD22 1 1
76 1 1 1 1 12 GLN H . 12 GLN H 1 1
76 1 2 1 1 12 GLN HE22 . 12 GLN HE22 1 1
77 1 1 1 1 2 PHE HB2 . 2 PHE HB2 1 1
77 1 2 1 1 3 ABA H . 3 AIB H 1 1
78 1 1 1 1 2 PHE HB3 . 2 PHE HB3 1 1
78 1 2 1 1 3 ABA H . 3 AIB H 1 1
79 1 1 1 1 12 GLN QG . 12 GLN QG 1 1
79 1 2 1 1 13 . H . 13 DIV H 1 1
80 1 1 1 1 8 LEU H . 8 LEU H 1 1
80 1 2 1 1 8 LEU HG . 8 LEU HG 1 1
81 1 1 1 1 12 GLN H . 12 GLN H 1 1
81 1 2 1 1 12 GLN QG . 12 GLN QG 1 1
82 1 1 1 1 8 LEU HG . 8 LEU HG 1 1
82 1 2 1 1 9 ABA H . 9 AIB H 1 1
83 1 1 1 1 16 PRO HG2 . 16 PRO HG3 1 1
83 1 2 1 1 17 PHL H . 17 PHL H 1 1
84 1 1 1 1 17 PHL H . 17 PHL H 1 1
84 1 2 1 1 17 PHL HC1 . 17 PHL HC 1 1
84 1 2 1 1 17 PHL HC2 . 17 PHL HC 1 1
85 1 1 1 1 2 PHE H . 2 PHE H 1 1
85 1 2 1 1 4 ABA H . 4 AIB QQB 1 1
86 1 1 1 1 14 HYP HB3 . 14 HYP HB3 1 1
86 1 2 1 1 15 ABA H . 15 AIB H 1 1
87 1 1 1 1 14 HYP HB2 . 14 HYP HB2 1 1
87 1 2 1 1 14 HYP HD22 . 14 HYP HD22 1 1
88 1 1 1 1 17 PHL HB2 . 17 PHL HB2 1 1
88 1 2 1 1 17 PHL HC1 . 17 PHL HC 1 1
88 1 2 1 1 17 PHL HC2 . 17 PHL HC 1 1
89 1 1 1 1 17 PHL HB3 . 17 PHL HB3 1 1
89 1 2 1 1 17 PHL HC1 . 17 PHL HC 1 1
89 1 2 1 1 17 PHL HC2 . 17 PHL HC 1 1
90 1 1 1 1 14 HYP HD22 . 14 HYP HD22 1 1
90 1 2 1 1 14 HYP HG . 14 HYP HG 1 1
91 1 1 1 1 11 HYP HD23 . 11 HYP HD23 1 1
91 1 2 1 1 11 HYP HG . 11 HYP HG 1 1
92 1 1 1 1 8 LEU QB . 8 LEU HB2 1 1
92 1 2 1 1 8 LEU MD2 . 8 LEU QD2 1 1
93 1 1 1 1 8 LEU HA . 8 LEU HA 1 1
93 1 2 1 1 8 LEU MD2 . 8 LEU QD2 1 1
94 1 1 1 1 8 LEU HA . 8 LEU HA 1 1
94 1 2 1 1 8 LEU MD1 . 8 LEU QD1 1 1
95 1 1 1 1 11 HYP HD22 . 11 HYP HD22 1 1
95 1 2 1 1 11 HYP HG . 11 HYP HG 1 1
96 1 1 1 1 14 HYP HD23 . 14 HYP HD23 1 1
96 1 2 1 1 14 HYP HG . 14 HYP HG 1 1
97 1 1 1 1 11 HYP HB2 . 11 HYP HB2 1 1
97 1 2 1 1 11 HYP HD22 . 11 HYP HD22 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 . . . . . . . 4.86 1 1
2 1 . . . . . . . 3.16 1 1
3 1 . . . . . . . 4.24 1 1
4 1 . . . . . . . 4.35 1 1
5 1 . . . . . . . 3.76 1 1
6 1 . . . . . . . 4.47 1 1
7 1 . . . . . . . 3.56 1 1
8 1 . . . . . . . 4.59 1 1
9 1 . . . . . . . 3.29 1 1
10 1 . . . . . . . 3.12 1 1
11 1 . . . . . . . 4.62 1 1
12 1 . . . . . . . 3.85 1 1
13 1 . . . . . . . 2.85 1 1
14 1 . . . . . . . 4.34 1 1
15 1 . . . . . . . 3.28 1 1
16 1 . . . . . . . 7.0 1 1
17 1 . . . . . . . 4.39 1 1
18 1 . . . . . . . 3.77 1 1
19 1 . . . . . . . 3.52 1 1
20 1 . . . . . . . 4.29 1 1
21 1 . . . . . . . 3.9 1 1
22 1 . . . . . . . 4.45 1 1
23 1 . . . . . . . 3.0 1 1
24 1 . . . . . . . 3.31 1 1
25 1 . . . . . . . 3.9 1 1
26 1 . . . . . . . 2.62 1 1
27 1 . . . . . . . 4.8 1 1
28 1 . . . . . . . 3.61 1 1
29 1 . . . . . . . 3.42 1 1
30 1 . . . . . . . 5.23 1 1
31 1 . . . . . . . 4.29 1 1
32 1 . . . . . . . 4.75 1 1
33 1 . . . . . . . 4.07 1 1
34 1 . . . . . . . 4.51 1 1
35 1 . . . . . . . 5.69 1 1
36 1 . . . . . . . 5.05 1 1
37 1 . . . . . . . 5.01 1 1
38 1 . . . . . . . 4.49 1 1
39 1 . . . . . . . 5.13 1 1
40 1 . . . . . . . 3.29 1 1
41 1 . . . . . . . 2.85 1 1
42 1 . . . . . . . 4.28 1 1
43 1 . . . . . . . 3.96 1 1
44 1 . . . . . . . 2.89 1 1
45 1 . . . . . . . 4.16 1 1
46 1 . . . . . . . 3.45 1 1
47 1 . . . . . . . 6.22 1 1
48 1 . . . . . . . 4.59 1 1
49 1 . . . . . . . 5.94 1 1
50 1 . . . . . . . 4.88 1 1
51 1 . . . . . . . 2.56 1 1
52 1 . . . . . . . 2.87 1 1
53 1 . . . . . . . 2.96 1 1
54 1 . . . . . . . 3.35 1 1
55 1 . . . . . . . 4.05 1 1
56 1 . . . . . . . 4.01 1 1
57 1 . . . . . . . 2.96 1 1
58 1 . . . . . . . 4.48 1 1
59 1 . . . . . . . 5.43 1 1
60 1 . . . . . . . 3.31 1 1
61 1 . . . . . . . 5.52 1 1
62 1 . . . . . . . 4.32 1 1
63 1 . . . . . . . 4.98 1 1
64 1 . . . . . . . 5.78 1 1
65 1 . . . . . . . 4.42 1 1
66 1 . . . . . . . 4.03 1 1
67 1 . . . . . . . 4.86 1 1
68 1 . . . . . . . 6.01 1 1
69 1 . . . . . . . 4.03 1 1
70 1 . . . . . . . 3.61 1 1
71 1 . . . . . . . 4.59 1 1
72 1 . . . . . . . 4.33 1 1
73 1 . . . . . . . 4.09 1 1
74 1 . . . . . . . 4.29 1 1
75 1 . . . . . . . 5.21 1 1
76 1 . . . . . . . 5.8 1 1
77 1 . . . . . . . 3.77 1 1
78 1 . . . . . . . 3.45 1 1
79 1 . . . . . . . 3.73 1 1
80 1 . . . . . . . 2.67 1 1
81 1 . . . . . . . 3.13 1 1
82 1 . . . . . . . 3.62 1 1
83 1 . . . . . . . 3.75 1 1
84 1 . . . . . . . 3.01 1 1
85 1 . . . . . . . 4.26 1 1
86 1 . . . . . . . 4.21 1 1
87 1 . . . . . . . 4.19 1 1
88 1 . . . . . . . 3.45 1 1
89 1 . . . . . . . 3.35 1 1
90 1 . . . . . . . 3.78 1 1
91 1 . . . . . . . 4.14 1 1
92 1 . . . . . . . 3.26 1 1
93 1 . . . . . . . 2.88 1 1
94 1 . . . . . . . 3.53 1 1
95 1 . . . . . . . 3.67 1 1
96 1 . . . . . . . 4.08 1 1
97 1 . . . . . . . 4.1 1 1
stop_
save_
save_DYANA/DIANA_distance_constraints_5_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 2
2 1 . . . 1 2
3 1 . . . 1 2
4 1 . . . 1 2
5 1 . . . 1 2
6 1 . . . 1 2
7 1 . . . 1 2
8 1 . . . 1 2
9 1 . . . 1 2
10 1 . . . 1 2
11 1 . . . 1 2
12 1 . . . 1 2
13 1 . . . 1 2
14 1 . . . 1 2
15 1 . . . 1 2
16 1 . . . 1 2
17 1 . . . 1 2
18 1 . . . 1 2
19 1 . . . 1 2
20 1 . . . 1 2
21 1 . . . 1 2
22 1 . . . 1 2
23 1 . . . 1 2
24 1 . . . 1 2
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 1 1 1 ACE O . 1 ACE O 1 2
1 1 2 1 1 5 ABA H . 5 AIB H 1 2
2 1 1 1 1 1 ACE O . 1 ACE O 1 2
2 1 2 1 1 5 ABA N . 5 AIB N 1 2
3 1 1 1 1 2 PHE O . 2 PHE O 1 2
3 1 2 1 1 6 . H . 6 DIV H 1 2
4 1 1 1 1 2 PHE O . 2 PHE O 1 2
4 1 2 1 1 6 . N . 6 DIV N 1 2
5 1 1 1 1 3 ABA O . 3 AIB O 1 2
5 1 2 1 1 6 . H . 6 DIV H 1 2
6 1 1 1 1 3 ABA O . 3 AIB O 1 2
6 1 2 1 1 6 . N . 6 DIV N 1 2
7 1 1 1 1 4 ABA O . 4 AIB O 1 2
7 1 2 1 1 7 GLY H . 7 GLY H 1 2
8 1 1 1 1 4 ABA O . 4 AIB O 1 2
8 1 2 1 1 7 GLY N . 7 GLY N 1 2
9 1 1 1 1 5 ABA O . 5 AIB O 1 2
9 1 2 1 1 8 LEU H . 8 LEU H 1 2
10 1 1 1 1 5 ABA O . 5 AIB O 1 2
10 1 2 1 1 8 LEU N . 8 LEU N 1 2
11 1 1 1 1 6 . O . 6 DIV O 1 2
11 1 2 1 1 9 ABA H . 9 AIB H 1 2
12 1 1 1 1 6 . O . 6 DIV O 1 2
12 1 2 1 1 9 ABA N . 9 AIB N 1 2
13 1 1 1 1 6 . O . 6 DIV O 1 2
13 1 2 1 1 10 ABA H . 10 AIB H 1 2
14 1 1 1 1 6 . O . 6 DIV O 1 2
14 1 2 1 1 10 ABA N . 10 AIB N 1 2
15 1 1 1 1 7 GLY O . 7 GLY O 1 2
15 1 2 1 1 10 ABA H . 10 AIB H 1 2
16 1 1 1 1 7 GLY O . 7 GLY O 1 2
16 1 2 1 1 10 ABA N . 10 AIB N 1 2
17 1 1 1 1 9 ABA O . 9 AIB O 1 2
17 1 2 1 1 12 GLN H . 12 GLN H 1 2
18 1 1 1 1 9 ABA O . 9 AIB O 1 2
18 1 2 1 1 12 GLN N . 12 GLN N 1 2
19 1 1 1 1 10 ABA O . 10 AIB O 1 2
19 1 2 1 1 13 . H . 13 DIV H 1 2
20 1 1 1 1 10 ABA O . 10 AIB O 1 2
20 1 2 1 1 13 . N . 13 DIV N 1 2
21 1 1 1 1 12 GLN O . 12 GLN O 1 2
21 1 2 1 1 15 ABA H . 15 AIB H 1 2
22 1 1 1 1 12 GLN O . 12 GLN O 1 2
22 1 2 1 1 15 ABA N . 15 AIB N 1 2
23 1 1 1 1 14 HYP O . 14 HYP O 1 2
23 1 2 1 1 17 PHL H . 17 PHL H 1 2
24 1 1 1 1 14 HYP O . 14 HYP O 1 2
24 1 2 1 1 17 PHL N . 17 PHL N 1 2
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . . 1.8 1 2
2 1 . . . . . . . 2.7 1 2
3 1 . . . . . . . 1.8 1 2
4 1 . . . . . . . 2.7 1 2
5 1 . . . . . . . 1.8 1 2
6 1 . . . . . . . 2.7 1 2
7 1 . . . . . . . 1.8 1 2
8 1 . . . . . . . 2.7 1 2
9 1 . . . . . . . 1.8 1 2
10 1 . . . . . . . 2.7 1 2
11 1 . . . . . . . 1.8 1 2
12 1 . . . . . . . 2.7 1 2
13 1 . . . . . . . 1.8 1 2
14 1 . . . . . . . 2.7 1 2
15 1 . . . . . . . 1.8 1 2
16 1 . . . . . . . 2.7 1 2
17 1 . . . . . . . 1.8 1 2
18 1 . . . . . . . 2.7 1 2
19 1 . . . . . . . 1.8 1 2
20 1 . . . . . . . 2.7 1 2
21 1 . . . . . . . 1.8 1 2
22 1 . . . . . . . 2.7 1 2
23 1 . . . . . . . 1.8 1 2
24 1 . . . . . . . 2.7 1 2
stop_
save_
save_DYANA/DIANA_dihedral_2
_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 1 ACE C 1 1 2 PHE N 1 1 2 PHE CA 1 1 2 PHE C -80.0 -40.0 . 2 PHE . . 2 PHE . . 2 PHE . . 2 PHE . 1 1
2 PHI 1 1 7 GLY C 1 1 8 LEU N 1 1 8 LEU CA 1 1 8 LEU C -110.0 -50.0 . 8 LEU . . 8 LEU . . 8 LEU . . 8 LEU . 1 1
3 PHI 1 1 11 HYP C 1 1 12 GLN N 1 1 12 GLN CA 1 1 12 GLN C -140.0 -80.0 . 12 GLN . . 12 GLN . . 12 GLN . . 12 GLN . 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 2
_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 CHI1 1 1 8 LEU N 1 1 8 LEU CA 1 1 8 LEU CB 1 1 8 LEU CG -89.99999 89.99999 . 8 LEU . . 8 LEU . . 8 LEU . . 8 LEU . 1 2
2 CHI1 1 1 2 PHE N 1 1 2 PHE CA 1 1 2 PHE CB 1 1 2 PHE CG 150.0 210.0 . 2 PHE . . 2 PHE . . 2 PHE . . 2 PHE . 1 2
3 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 . 12 GLN . . 12 GLN . . 12 GLN . . 12 GLN . 1 2
stop_
save_
save_conformer_family_coord_set_1
_Conformer_family_coord_set.Sf_category conformer_family_coord_set
_Conformer_family_coord_set.Entry_ID 1
_Conformer_family_coord_set.ID 1
loop_
_Atom_site.Model_ID
_Atom_site.ID
_Atom_site.Label_entity_assembly_ID
_Atom_site.Label_entity_ID
_Atom_site.Label_comp_index_ID
_Atom_site.Label_comp_ID
_Atom_site.Label_atom_ID
_Atom_site.Type_symbol
_Atom_site.Cartn_x
_Atom_site.Cartn_y
_Atom_site.Cartn_z
_Atom_site.Occupancy
_Atom_site.Uncertainty
_Atom_site.PDBX_label_asym_ID
_Atom_site.PDB_strand_ID
_Atom_site.PDB_ins_code
_Atom_site.PDB_residue_no
_Atom_site.PDB_residue_name
_Atom_site.PDB_atom_name
_Atom_site.Entry_ID
_Atom_site.Conformer_family_coord_set_ID
1 1 1 1 1 ACE C C 1.489 0.959 -2.268 1.00 . A A . 1 ACE C 1 1
1 2 1 1 1 ACE CH3 C 2.071 0.001 -1.247 1.00 . A A . 1 ACE CH3 1 1
1 3 1 1 1 ACE H1 H 1.832 0.344 -0.252 1.00 . A A . 1 ACE H1 1 1
1 4 1 1 1 ACE H2 H 3.144 -0.043 -1.365 1.00 . A A . 1 ACE H2 1 1
1 5 1 1 1 ACE H3 H 1.653 -0.984 -1.398 1.00 . A A . 1 ACE H3 1 1
1 6 1 1 1 ACE O O 1.765 2.158 -2.233 1.00 . A A . 1 ACE O 1 1
1 7 1 1 2 PHE C C -0.896 2.265 -3.606 1.00 . A A . 2 PHE C 1 1
1 8 1 1 2 PHE CA C 0.059 1.244 -4.217 1.00 . A A . 2 PHE CA 1 1
1 9 1 1 2 PHE CB C -0.692 0.357 -5.211 1.00 . A A . 2 PHE CB 1 1
1 10 1 1 2 PHE CD1 C -2.041 1.970 -6.581 1.00 . A A . 2 PHE CD1 1 1
1 11 1 1 2 PHE CD2 C -0.281 0.769 -7.652 1.00 . A A . 2 PHE CD2 1 1
1 12 1 1 2 PHE CE1 C -2.337 2.606 -7.772 1.00 . A A . 2 PHE CE1 1 1
1 13 1 1 2 PHE CE2 C -0.572 1.402 -8.846 1.00 . A A . 2 PHE CE2 1 1
1 14 1 1 2 PHE CG C -1.011 1.046 -6.507 1.00 . A A . 2 PHE CG 1 1
1 15 1 1 2 PHE CZ C -1.602 2.321 -8.906 1.00 . A A . 2 PHE CZ 1 1
1 16 1 1 2 PHE H H 0.498 -0.534 -3.155 1.00 . A A . 2 PHE H 1 1
1 17 1 1 2 PHE HA H 0.844 1.770 -4.738 1.00 . A A . 2 PHE HA 1 1
1 18 1 1 2 PHE HB2 H -0.090 -0.510 -5.436 1.00 . A A . 2 PHE HB2 1 1
1 19 1 1 2 PHE HB3 H -1.623 0.038 -4.766 1.00 . A A . 2 PHE HB3 1 1
1 20 1 1 2 PHE HD1 H -2.617 2.193 -5.694 1.00 . A A . 2 PHE HD1 1 1
1 21 1 1 2 PHE HD2 H 0.524 0.050 -7.607 1.00 . A A . 2 PHE HD2 1 1
1 22 1 1 2 PHE HE1 H -3.142 3.324 -7.816 1.00 . A A . 2 PHE HE1 1 1
1 23 1 1 2 PHE HE2 H 0.004 1.177 -9.731 1.00 . A A . 2 PHE HE2 1 1
1 24 1 1 2 PHE HZ H -1.830 2.817 -9.837 1.00 . A A . 2 PHE HZ 1 1
1 25 1 1 2 PHE N N 0.680 0.429 -3.180 1.00 . A A . 2 PHE N 1 1
1 26 1 1 2 PHE O O -0.772 3.467 -3.843 1.00 . A A . 2 PHE O 1 1
1 27 1 1 3 ABA C C -2.102 3.743 -1.402 1.00 . A A . 3 AIB C 1 1
1 28 1 1 3 ABA CA C -2.827 2.647 -2.175 1.00 . A A . 3 AIB CA 1 1
1 29 1 1 3 ABA H H -1.898 0.811 -2.669 1.00 . A A . 3 AIB H 1 1
1 30 1 1 3 ABA N N -1.850 1.778 -2.819 1.00 . A A . 3 AIB N 1 1
1 31 1 1 3 ABA O O -2.421 4.924 -1.533 1.00 . A A . 3 AIB O 1 1
1 32 1 1 4 ABA C C 0.384 5.252 -0.731 1.00 . A A . 4 AIB C 1 1
1 33 1 1 4 ABA CA C -0.351 4.291 0.198 1.00 . A A . 4 AIB CA 1 1
1 34 1 1 4 ABA H H -0.915 2.387 -0.535 1.00 . A A . 4 AIB H 1 1
1 35 1 1 4 ABA N N -1.123 3.343 -0.597 1.00 . A A . 4 AIB N 1 1
1 36 1 1 4 ABA O O 0.511 6.440 -0.437 1.00 . A A . 4 AIB O 1 1
1 37 1 1 5 ABA C C 0.728 6.726 -3.239 1.00 . A A . 5 AIB C 1 1
1 38 1 1 5 ABA CA C 1.591 5.539 -2.825 1.00 . A A . 5 AIB CA 1 1
1 39 1 1 5 ABA H H 0.734 3.774 -2.031 1.00 . A A . 5 AIB H 1 1
1 40 1 1 5 ABA N N 0.868 4.728 -1.853 1.00 . A A . 5 AIB N 1 1
1 41 1 1 5 ABA O O 1.240 7.802 -3.547 1.00 . A A . 5 AIB O 1 1
1 42 1 1 6 . C C -1.228 8.831 -2.807 1.00 . A A . 6 DIV C 1 1
1 43 1 1 6 . CA C -1.520 7.576 -3.622 1.00 . A A . 6 DIV CA 1 1
1 44 1 1 6 . CB1 C -1.364 7.887 -5.107 1.00 . A A . 6 DIV CB1 1 1
1 45 1 1 6 . CB2 C -2.947 7.112 -3.347 1.00 . A A . 6 DIV CB2 1 1
1 46 1 1 6 . CG1 C -1.353 6.657 -5.989 1.00 . A A . 6 DIV CG1 1 1
1 47 1 1 6 . H H -0.934 5.643 -2.991 1.00 . A A . 6 DIV H 1 1
1 48 1 1 6 . HB11 H -0.440 8.423 -5.264 1.00 . A A . 6 DIV HB11 1 1
1 49 1 1 6 . HB12 H -2.177 8.523 -5.426 1.00 . A A . 6 DIV HB12 1 1
1 50 1 1 6 . HB21 H -3.132 7.128 -2.284 1.00 . A A . 6 DIV HB21 1 1
1 51 1 1 6 . HB22 H -3.077 6.107 -3.720 1.00 . A A . 6 DIV HB22 1 1
1 52 1 1 6 . HB23 H -3.642 7.773 -3.844 1.00 . A A . 6 DIV HB23 1 1
1 53 1 1 6 . HG11 H -0.333 6.401 -6.237 1.00 . A A . 6 DIV HG11 1 1
1 54 1 1 6 . HG12 H -1.903 6.860 -6.896 1.00 . A A . 6 DIV HG12 1 1
1 55 1 1 6 . HG13 H -1.813 5.834 -5.464 1.00 . A A . 6 DIV HG13 1 1
1 56 1 1 6 . N N -0.586 6.523 -3.246 1.00 . A A . 6 DIV N 1 1
1 57 1 1 6 . O O -1.406 9.950 -3.285 1.00 . A A . 6 DIV O 1 1
1 58 1 1 7 GLY C C 0.482 10.748 -1.361 1.00 . A A . 7 GLY C 1 1
1 59 1 1 7 GLY CA C -0.466 9.761 -0.709 1.00 . A A . 7 GLY CA 1 1
1 60 1 1 7 GLY H H -0.653 7.721 -1.243 1.00 . A A . 7 GLY H 1 1
1 61 1 1 7 GLY HA2 H -1.384 10.272 -0.458 1.00 . A A . 7 GLY HA2 1 1
1 62 1 1 7 GLY HA3 H -0.013 9.390 0.199 1.00 . A A . 7 GLY HA3 1 1
1 63 1 1 7 GLY N N -0.777 8.636 -1.571 1.00 . A A . 7 GLY N 1 1
1 64 1 1 7 GLY O O 0.383 11.955 -1.139 1.00 . A A . 7 GLY O 1 1
1 65 1 1 8 LEU C C 1.730 11.812 -4.024 1.00 . A A . 8 LEU C 1 1
1 66 1 1 8 LEU CA C 2.377 11.078 -2.853 1.00 . A A . 8 LEU CA 1 1
1 67 1 1 8 LEU CB C 3.552 10.236 -3.351 1.00 . A A . 8 LEU CB 1 1
1 68 1 1 8 LEU CD1 C 5.654 8.990 -2.792 1.00 . A A . 8 LEU CD1 1 1
1 69 1 1 8 LEU CD2 C 4.399 10.189 -0.992 1.00 . A A . 8 LEU CD2 1 1
1 70 1 1 8 LEU CG C 4.280 9.407 -2.292 1.00 . A A . 8 LEU CG 1 1
1 71 1 1 8 LEU H H 1.434 9.265 -2.305 1.00 . A A . 8 LEU H 1 1
1 72 1 1 8 LEU HA H 2.741 11.807 -2.144 1.00 . A A . 8 LEU HA 1 1
1 73 1 1 8 LEU HB2 H 3.178 9.557 -4.101 1.00 . A A . 8 LEU HB2 1 1
1 74 1 1 8 LEU HB3 H 4.271 10.905 -3.800 1.00 . A A . 8 LEU HB3 1 1
1 75 1 1 8 LEU HD11 H 5.545 8.241 -3.562 1.00 . A A . 8 LEU HD11 1 1
1 76 1 1 8 LEU HD12 H 6.227 8.582 -1.972 1.00 . A A . 8 LEU HD12 1 1
1 77 1 1 8 LEU HD13 H 6.167 9.851 -3.196 1.00 . A A . 8 LEU HD13 1 1
1 78 1 1 8 LEU HD21 H 3.463 10.137 -0.454 1.00 . A A . 8 LEU HD21 1 1
1 79 1 1 8 LEU HD22 H 4.630 11.221 -1.212 1.00 . A A . 8 LEU HD22 1 1
1 80 1 1 8 LEU HD23 H 5.186 9.765 -0.387 1.00 . A A . 8 LEU HD23 1 1
1 81 1 1 8 LEU HG H 3.711 8.509 -2.092 1.00 . A A . 8 LEU HG 1 1
1 82 1 1 8 LEU N N 1.404 10.234 -2.167 1.00 . A A . 8 LEU N 1 1
1 83 1 1 8 LEU O O 2.188 12.881 -4.428 1.00 . A A . 8 LEU O 1 1
1 84 1 1 9 ABA C C -1.009 12.896 -5.168 1.00 . A A . 9 AIB C 1 1
1 85 1 1 9 ABA CA C -0.047 11.832 -5.686 1.00 . A A . 9 AIB CA 1 1
1 86 1 1 9 ABA H H 0.347 10.380 -4.197 1.00 . A A . 9 AIB H 1 1
1 87 1 1 9 ABA N N 0.663 11.232 -4.563 1.00 . A A . 9 AIB N 1 1
1 88 1 1 9 ABA O O -1.493 13.732 -5.930 1.00 . A A . 9 AIB O 1 1
1 89 1 1 10 ABA C C -1.662 15.232 -3.479 1.00 . A A . 10 AIB C 1 1
1 90 1 1 10 ABA CA C -2.187 13.819 -3.249 1.00 . A A . 10 AIB CA 1 1
1 91 1 1 10 ABA H H -0.866 12.167 -3.312 1.00 . A A . 10 AIB H 1 1
1 92 1 1 10 ABA N N -1.282 12.857 -3.868 1.00 . A A . 10 AIB N 1 1
1 93 1 1 10 ABA O O -2.359 16.103 -3.999 1.00 . A A . 10 AIB O 1 1
1 94 1 1 11 HYP C C 0.208 17.274 -4.675 1.00 . A A . 11 HYP C 1 1
1 95 1 1 11 HYP CA C 0.245 16.774 -3.235 1.00 . A A . 11 HYP CA 1 1
1 96 1 1 11 HYP CB C 1.687 16.508 -2.797 1.00 . A A . 11 HYP CB 1 1
1 97 1 1 11 HYP CD C 0.487 14.476 -2.454 1.00 . A A . 11 HYP CD 1 1
1 98 1 1 11 HYP CG C 1.605 15.295 -1.937 1.00 . A A . 11 HYP CG 1 1
1 99 1 1 11 HYP HA H -0.199 17.515 -2.586 1.00 . A A . 11 HYP HA 1 1
1 100 1 1 11 HYP HB2 H 2.304 16.335 -3.668 1.00 . A A . 11 HYP HB2 1 1
1 101 1 1 11 HYP HB3 H 2.063 17.358 -2.247 1.00 . A A . 11 HYP HB3 1 1
1 102 1 1 11 HYP HD1 H 1.206 16.222 -0.241 1.00 . A A . 11 HYP HD1 1 1
1 103 1 1 11 HYP HD22 H 0.709 13.669 -3.137 1.00 . A A . 11 HYP HD22 1 1
1 104 1 1 11 HYP HD23 H 0.053 14.092 -1.543 1.00 . A A . 11 HYP HD23 1 1
1 105 1 1 11 HYP HG H 2.310 14.558 -2.292 1.00 . A A . 11 HYP HG 1 1
1 106 1 1 11 HYP N N -0.402 15.467 -3.082 1.00 . A A . 11 HYP N 1 1
1 107 1 1 11 HYP O O 0.401 18.461 -4.933 1.00 . A A . 11 HYP O 1 1
1 108 1 1 11 HYP OD1 O 1.876 15.617 -0.566 1.00 . A A . 11 HYP OD1 1 1
1 109 1 1 12 GLN C C -1.512 17.133 -7.417 1.00 . A A . 12 GLN C 1 1
1 110 1 1 12 GLN CA C -0.101 16.710 -7.022 1.00 . A A . 12 GLN CA 1 1
1 111 1 1 12 GLN CB C 0.349 15.527 -7.881 1.00 . A A . 12 GLN CB 1 1
1 112 1 1 12 GLN CD C 2.557 16.583 -8.505 1.00 . A A . 12 GLN CD 1 1
1 113 1 1 12 GLN CG C 1.858 15.361 -7.945 1.00 . A A . 12 GLN CG 1 1
1 114 1 1 12 GLN H H -0.185 15.429 -5.339 1.00 . A A . 12 GLN H 1 1
1 115 1 1 12 GLN HA H 0.570 17.539 -7.187 1.00 . A A . 12 GLN HA 1 1
1 116 1 1 12 GLN HB2 H -0.075 14.621 -7.476 1.00 . A A . 12 GLN HB2 1 1
1 117 1 1 12 GLN HB3 H -0.018 15.668 -8.887 1.00 . A A . 12 GLN HB3 1 1
1 118 1 1 12 GLN HE21 H 3.353 16.975 -6.726 1.00 . A A . 12 GLN HE21 1 1
1 119 1 1 12 GLN HE22 H 3.762 18.079 -7.990 1.00 . A A . 12 GLN HE22 1 1
1 120 1 1 12 GLN HG2 H 2.230 15.179 -6.947 1.00 . A A . 12 GLN HG2 1 1
1 121 1 1 12 GLN HG3 H 2.088 14.513 -8.573 1.00 . A A . 12 GLN HG3 1 1
1 122 1 1 12 GLN N N -0.040 16.360 -5.608 1.00 . A A . 12 GLN N 1 1
1 123 1 1 12 GLN NE2 N 3.298 17.284 -7.655 1.00 . A A . 12 GLN NE2 1 1
1 124 1 1 12 GLN O O -1.715 17.752 -8.461 1.00 . A A . 12 GLN O 1 1
1 125 1 1 12 GLN OE1 O 2.433 16.895 -9.690 1.00 . A A . 12 GLN OE1 1 1
1 126 1 1 13 . C C -4.021 18.657 -6.896 1.00 . A A . 13 DIV C 1 1
1 127 1 1 13 . CA C -3.876 17.140 -6.838 1.00 . A A . 13 DIV CA 1 1
1 128 1 1 13 . CB1 C -4.307 16.536 -8.171 1.00 . A A . 13 DIV CB1 1 1
1 129 1 1 13 . CB2 C -4.755 16.587 -5.722 1.00 . A A . 13 DIV CB2 1 1
1 130 1 1 13 . CG1 C -3.584 15.254 -8.521 1.00 . A A . 13 DIV CG1 1 1
1 131 1 1 13 . H H -2.259 16.302 -5.760 1.00 . A A . 13 DIV H 1 1
1 132 1 1 13 . HB11 H -4.127 17.251 -8.961 1.00 . A A . 13 DIV HB11 1 1
1 133 1 1 13 . HB12 H -5.366 16.330 -8.143 1.00 . A A . 13 DIV HB12 1 1
1 134 1 1 13 . HB21 H -5.006 17.381 -5.034 1.00 . A A . 13 DIV HB21 1 1
1 135 1 1 13 . HB22 H -4.222 15.809 -5.195 1.00 . A A . 13 DIV HB22 1 1
1 136 1 1 13 . HB23 H -5.661 16.178 -6.146 1.00 . A A . 13 DIV HB23 1 1
1 137 1 1 13 . HG11 H -3.455 14.659 -7.629 1.00 . A A . 13 DIV HG11 1 1
1 138 1 1 13 . HG12 H -2.617 15.489 -8.941 1.00 . A A . 13 DIV HG12 1 1
1 139 1 1 13 . HG13 H -4.165 14.699 -9.243 1.00 . A A . 13 DIV HG13 1 1
1 140 1 1 13 . N N -2.484 16.795 -6.576 1.00 . A A . 13 DIV N 1 1
1 141 1 1 13 . O O -4.580 19.216 -7.840 1.00 . A A . 13 DIV O 1 1
1 142 1 1 14 HYP C C -2.455 21.478 -6.567 1.00 . A A . 14 HYP C 1 1
1 143 1 1 14 HYP CA C -3.568 20.802 -5.773 1.00 . A A . 14 HYP CA 1 1
1 144 1 1 14 HYP CB C -3.397 21.073 -4.276 1.00 . A A . 14 HYP CB 1 1
1 145 1 1 14 HYP CD C -2.828 18.739 -4.703 1.00 . A A . 14 HYP CD 1 1
1 146 1 1 14 HYP CG C -2.687 19.873 -3.753 1.00 . A A . 14 HYP CG 1 1
1 147 1 1 14 HYP HA H -4.524 21.181 -6.103 1.00 . A A . 14 HYP HA 1 1
1 148 1 1 14 HYP HB2 H -2.814 21.972 -4.135 1.00 . A A . 14 HYP HB2 1 1
1 149 1 1 14 HYP HB3 H -4.366 21.190 -3.815 1.00 . A A . 14 HYP HB3 1 1
1 150 1 1 14 HYP HD1 H -3.833 18.861 -2.505 1.00 . A A . 14 HYP HD1 1 1
1 151 1 1 14 HYP HD22 H -1.872 18.325 -4.989 1.00 . A A . 14 HYP HD22 1 1
1 152 1 1 14 HYP HD23 H -3.447 17.983 -4.244 1.00 . A A . 14 HYP HD23 1 1
1 153 1 1 14 HYP HG H -1.625 20.068 -3.734 1.00 . A A . 14 HYP HG 1 1
1 154 1 1 14 HYP N N -3.508 19.341 -5.863 1.00 . A A . 14 HYP N 1 1
1 155 1 1 14 HYP O O -2.406 22.704 -6.666 1.00 . A A . 14 HYP O 1 1
1 156 1 1 14 HYP OD1 O -3.150 19.533 -2.440 1.00 . A A . 14 HYP OD1 1 1
1 157 1 1 15 ABA C C -0.988 22.080 -9.033 1.00 . A A . 15 AIB C 1 1
1 158 1 1 15 ABA CA C -0.450 21.192 -7.916 1.00 . A A . 15 AIB CA 1 1
1 159 1 1 15 ABA H H -1.654 19.702 -7.016 1.00 . A A . 15 AIB H 1 1
1 160 1 1 15 ABA N N -1.562 20.671 -7.131 1.00 . A A . 15 AIB N 1 1
1 161 1 1 15 ABA O O -0.633 23.253 -9.152 1.00 . A A . 15 AIB O 1 1
1 162 1 1 16 PRO C C -3.537 23.226 -10.536 1.00 . A A . 16 PRO C 1 1
1 163 1 1 16 PRO CA C -2.472 22.234 -10.994 1.00 . A A . 16 PRO CA 1 1
1 164 1 1 16 PRO CB C -3.104 21.121 -11.833 1.00 . A A . 16 PRO CB 1 1
1 165 1 1 16 PRO CD C -2.335 20.117 -9.790 1.00 . A A . 16 PRO CD 1 1
1 166 1 1 16 PRO CG C -3.369 20.020 -10.865 1.00 . A A . 16 PRO CG 1 1
1 167 1 1 16 PRO HA H -1.728 22.752 -11.581 1.00 . A A . 16 PRO HA 1 1
1 168 1 1 16 PRO HB2 H -4.019 21.481 -12.283 1.00 . A A . 16 PRO HB2 1 1
1 169 1 1 16 PRO HB3 H -2.415 20.811 -12.604 1.00 . A A . 16 PRO HB3 1 1
1 170 1 1 16 PRO HD2 H -2.790 19.919 -8.831 1.00 . A A . 16 PRO HD2 1 1
1 171 1 1 16 PRO HD3 H -1.524 19.427 -9.975 1.00 . A A . 16 PRO HD3 1 1
1 172 1 1 16 PRO HG2 H -4.352 20.137 -10.436 1.00 . A A . 16 PRO HG2 1 1
1 173 1 1 16 PRO HG3 H -3.286 19.066 -11.363 1.00 . A A . 16 PRO HG3 1 1
1 174 1 1 16 PRO N N -1.866 21.511 -9.872 1.00 . A A . 16 PRO N 1 1
1 175 1 1 16 PRO O O -4.013 24.046 -11.321 1.00 . A A . 16 PRO O 1 1
1 176 1 1 17 PHL C C -4.289 25.001 -7.695 1.00 . A A . 17 PHL C 1 1
1 177 1 1 17 PHL CA C -4.913 24.037 -8.700 1.00 . A A . 17 PHL CA 1 1
1 178 1 1 17 PHL CB C -6.022 23.226 -8.026 1.00 . A A . 17 PHL CB 1 1
1 179 1 1 17 PHL CD1 C -7.913 23.384 -9.667 1.00 . A A . 17 PHL CD1 1 1
1 180 1 1 17 PHL CD2 C -6.962 21.240 -9.237 1.00 . A A . 17 PHL CD2 1 1
1 181 1 1 17 PHL CE1 C -8.800 22.815 -10.561 1.00 . A A . 17 PHL CE1 1 1
1 182 1 1 17 PHL CE2 C -7.847 20.666 -10.130 1.00 . A A . 17 PHL CE2 1 1
1 183 1 1 17 PHL CG C -6.985 22.604 -8.996 1.00 . A A . 17 PHL CG 1 1
1 184 1 1 17 PHL CZ C -8.768 21.454 -10.792 1.00 . A A . 17 PHL CZ 1 1
1 185 1 1 17 PHL H H -3.488 22.471 -8.685 1.00 . A A . 17 PHL H 1 1
1 186 1 1 17 PHL HA H -5.339 24.608 -9.511 1.00 . A A . 17 PHL HA 1 1
1 187 1 1 17 PHL HB2 H -5.576 22.432 -7.447 1.00 . A A . 17 PHL HB2 1 1
1 188 1 1 17 PHL HB3 H -6.582 23.874 -7.369 1.00 . A A . 17 PHL HB3 1 1
1 189 1 1 17 PHL HC1 H -5.000 25.779 -7.459 1.00 . A A . 17 PHL HC1 1 1
1 190 1 1 17 PHL HC2 H -4.030 24.459 -6.797 1.00 . A A . 17 PHL HC2 1 1
1 191 1 1 17 PHL HD1 H -7.940 24.450 -9.487 1.00 . A A . 17 PHL HD1 1 1
1 192 1 1 17 PHL HD2 H -6.243 20.622 -8.720 1.00 . A A . 17 PHL HD2 1 1
1 193 1 1 17 PHL HE1 H -9.519 23.434 -11.077 1.00 . A A . 17 PHL HE1 1 1
1 194 1 1 17 PHL HE2 H -7.819 19.601 -10.309 1.00 . A A . 17 PHL HE2 1 1
1 195 1 1 17 PHL HO H -2.591 24.944 -8.699 1.00 . A A . 17 PHL HO 1 1
1 196 1 1 17 PHL HZ H -9.460 21.007 -11.491 1.00 . A A . 17 PHL HZ 1 1
1 197 1 1 17 PHL N N -3.905 23.146 -9.262 1.00 . A A . 17 PHL N 1 1
1 198 1 1 17 PHL O O -3.104 25.605 -8.229 1.00 . A A . 17 PHL O 1 1
2 199 1 1 1 ACE C C 1.479 0.940 -2.196 1.00 . A A . 1 ACE C 1 1
2 200 1 1 1 ACE CH3 C 2.052 -0.013 -1.166 1.00 . A A . 1 ACE CH3 1 1
2 201 1 1 1 ACE H1 H 2.679 -0.742 -1.658 1.00 . A A . 1 ACE H1 1 1
2 202 1 1 1 ACE H2 H 1.246 -0.518 -0.654 1.00 . A A . 1 ACE H2 1 1
2 203 1 1 1 ACE H3 H 2.641 0.542 -0.450 1.00 . A A . 1 ACE H3 1 1
2 204 1 1 1 ACE O O 1.755 2.139 -2.165 1.00 . A A . 1 ACE O 1 1
2 205 1 1 2 PHE C C -0.895 2.241 -3.561 1.00 . A A . 2 PHE C 1 1
2 206 1 1 2 PHE CA C 0.066 1.218 -4.159 1.00 . A A . 2 PHE CA 1 1
2 207 1 1 2 PHE CB C -0.677 0.326 -5.156 1.00 . A A . 2 PHE CB 1 1
2 208 1 1 2 PHE CD1 C 0.040 1.430 -7.292 1.00 . A A . 2 PHE CD1 1 1
2 209 1 1 2 PHE CD2 C -2.294 1.231 -6.848 1.00 . A A . 2 PHE CD2 1 1
2 210 1 1 2 PHE CE1 C -0.238 2.059 -8.492 1.00 . A A . 2 PHE CE1 1 1
2 211 1 1 2 PHE CE2 C -2.579 1.859 -8.046 1.00 . A A . 2 PHE CE2 1 1
2 212 1 1 2 PHE CG C -0.983 1.009 -6.458 1.00 . A A . 2 PHE CG 1 1
2 213 1 1 2 PHE CZ C -1.550 2.274 -8.868 1.00 . A A . 2 PHE CZ 1 1
2 214 1 1 2 PHE H H 0.495 -0.556 -3.086 1.00 . A A . 2 PHE H 1 1
2 215 1 1 2 PHE HA H 0.856 1.741 -4.675 1.00 . A A . 2 PHE HA 1 1
2 216 1 1 2 PHE HB2 H -0.072 -0.542 -5.372 1.00 . A A . 2 PHE HB2 1 1
2 217 1 1 2 PHE HB3 H -1.611 0.009 -4.718 1.00 . A A . 2 PHE HB3 1 1
2 218 1 1 2 PHE HD1 H 1.067 1.262 -6.998 1.00 . A A . 2 PHE HD1 1 1
2 219 1 1 2 PHE HD2 H -3.100 0.908 -6.205 1.00 . A A . 2 PHE HD2 1 1
2 220 1 1 2 PHE HE1 H 0.569 2.382 -9.132 1.00 . A A . 2 PHE HE1 1 1
2 221 1 1 2 PHE HE2 H -3.605 2.026 -8.338 1.00 . A A . 2 PHE HE2 1 1
2 222 1 1 2 PHE HZ H -1.769 2.764 -9.805 1.00 . A A . 2 PHE HZ 1 1
2 223 1 1 2 PHE N N 0.678 0.406 -3.113 1.00 . A A . 2 PHE N 1 1
2 224 1 1 2 PHE O O -0.768 3.442 -3.802 1.00 . A A . 2 PHE O 1 1
2 225 1 1 3 ABA C C -2.119 3.728 -1.374 1.00 . A A . 3 AIB C 1 1
2 226 1 1 3 ABA CA C -2.838 2.629 -2.149 1.00 . A A . 3 AIB CA 1 1
2 227 1 1 3 ABA H H -1.904 0.791 -2.627 1.00 . A A . 3 AIB H 1 1
2 228 1 1 3 ABA N N -1.855 1.757 -2.781 1.00 . A A . 3 AIB N 1 1
2 229 1 1 3 ABA O O -2.438 4.909 -1.513 1.00 . A A . 3 AIB O 1 1
2 230 1 1 4 ABA C C 0.361 5.240 -0.688 1.00 . A A . 4 AIB C 1 1
2 231 1 1 4 ABA CA C -0.383 4.284 0.238 1.00 . A A . 4 AIB CA 1 1
2 232 1 1 4 ABA H H -0.941 2.377 -0.491 1.00 . A A . 4 AIB H 1 1
2 233 1 1 4 ABA N N -1.148 3.332 -0.558 1.00 . A A . 4 AIB N 1 1
2 234 1 1 4 ABA O O 0.485 6.430 -0.398 1.00 . A A . 4 AIB O 1 1
2 235 1 1 5 ABA C C 0.727 6.703 -3.199 1.00 . A A . 5 AIB C 1 1
2 236 1 1 5 ABA CA C 1.586 5.518 -2.772 1.00 . A A . 5 AIB CA 1 1
2 237 1 1 5 ABA H H 0.722 3.757 -1.978 1.00 . A A . 5 AIB H 1 1
2 238 1 1 5 ABA N N 0.854 4.712 -1.803 1.00 . A A . 5 AIB N 1 1
2 239 1 1 5 ABA O O 1.242 7.777 -3.507 1.00 . A A . 5 AIB O 1 1
2 240 1 1 6 . C C -1.232 8.811 -2.794 1.00 . A A . 6 DIV C 1 1
2 241 1 1 6 . CA C -1.518 7.552 -3.606 1.00 . A A . 6 DIV CA 1 1
2 242 1 1 6 . CB1 C -1.348 7.856 -5.091 1.00 . A A . 6 DIV CB1 1 1
2 243 1 1 6 . CB2 C -2.947 7.090 -3.342 1.00 . A A . 6 DIV CB2 1 1
2 244 1 1 6 . CG1 C -1.324 6.622 -5.966 1.00 . A A . 6 DIV CG1 1 1
2 245 1 1 6 . H H -0.937 5.622 -2.960 1.00 . A A . 6 DIV H 1 1
2 246 1 1 6 . HB11 H -0.424 8.395 -5.242 1.00 . A A . 6 DIV HB11 1 1
2 247 1 1 6 . HB12 H -2.160 8.487 -5.421 1.00 . A A . 6 DIV HB12 1 1
2 248 1 1 6 . HB21 H -3.129 7.075 -2.277 1.00 . A A . 6 DIV HB21 1 1
2 249 1 1 6 . HB22 H -3.084 6.097 -3.744 1.00 . A A . 6 DIV HB22 1 1
2 250 1 1 6 . HB23 H -3.639 7.769 -3.817 1.00 . A A . 6 DIV HB23 1 1
2 251 1 1 6 . HG11 H -0.300 6.335 -6.156 1.00 . A A . 6 DIV HG11 1 1
2 252 1 1 6 . HG12 H -1.817 6.836 -6.903 1.00 . A A . 6 DIV HG12 1 1
2 253 1 1 6 . HG13 H -1.837 5.815 -5.465 1.00 . A A . 6 DIV HG13 1 1
2 254 1 1 6 . N N -0.586 6.500 -3.216 1.00 . A A . 6 DIV N 1 1
2 255 1 1 6 . O O -1.406 9.928 -3.279 1.00 . A A . 6 DIV O 1 1
2 256 1 1 7 GLY C C 0.466 10.733 -1.342 1.00 . A A . 7 GLY C 1 1
2 257 1 1 7 GLY CA C -0.488 9.750 -0.693 1.00 . A A . 7 GLY CA 1 1
2 258 1 1 7 GLY H H -0.671 7.707 -1.220 1.00 . A A . 7 GLY H 1 1
2 259 1 1 7 GLY HA2 H -1.408 10.262 -0.453 1.00 . A A . 7 GLY HA2 1 1
2 260 1 1 7 GLY HA3 H -0.043 9.383 0.220 1.00 . A A . 7 GLY HA3 1 1
2 261 1 1 7 GLY N N -0.791 8.621 -1.553 1.00 . A A . 7 GLY N 1 1
2 262 1 1 7 GLY O O 0.366 11.942 -1.126 1.00 . A A . 7 GLY O 1 1
2 263 1 1 8 LEU C C 1.738 11.785 -3.998 1.00 . A A . 8 LEU C 1 1
2 264 1 1 8 LEU CA C 2.374 11.057 -2.818 1.00 . A A . 8 LEU CA 1 1
2 265 1 1 8 LEU CB C 3.553 10.211 -3.302 1.00 . A A . 8 LEU CB 1 1
2 266 1 1 8 LEU CD1 C 5.650 8.967 -2.719 1.00 . A A . 8 LEU CD1 1 1
2 267 1 1 8 LEU CD2 C 4.380 10.176 -0.935 1.00 . A A . 8 LEU CD2 1 1
2 268 1 1 8 LEU CG C 4.272 9.388 -2.233 1.00 . A A . 8 LEU CG 1 1
2 269 1 1 8 LEU H H 1.425 9.246 -2.271 1.00 . A A . 8 LEU H 1 1
2 270 1 1 8 LEU HA H 2.732 11.788 -2.110 1.00 . A A . 8 LEU HA 1 1
2 271 1 1 8 LEU HB2 H 3.185 9.529 -4.053 1.00 . A A . 8 LEU HB2 1 1
2 272 1 1 8 LEU HB3 H 4.277 10.879 -3.749 1.00 . A A . 8 LEU HB3 1 1
2 273 1 1 8 LEU HD11 H 5.548 8.201 -3.472 1.00 . A A . 8 LEU HD11 1 1
2 274 1 1 8 LEU HD12 H 6.223 8.582 -1.889 1.00 . A A . 8 LEU HD12 1 1
2 275 1 1 8 LEU HD13 H 6.159 9.822 -3.141 1.00 . A A . 8 LEU HD13 1 1
2 276 1 1 8 LEU HD21 H 3.453 10.093 -0.386 1.00 . A A . 8 LEU HD21 1 1
2 277 1 1 8 LEU HD22 H 4.573 11.215 -1.161 1.00 . A A . 8 LEU HD22 1 1
2 278 1 1 8 LEU HD23 H 5.188 9.780 -0.340 1.00 . A A . 8 LEU HD23 1 1
2 279 1 1 8 LEU HG H 3.701 8.491 -2.034 1.00 . A A . 8 LEU HG 1 1
2 280 1 1 8 LEU N N 1.395 10.216 -2.137 1.00 . A A . 8 LEU N 1 1
2 281 1 1 8 LEU O O 2.200 12.852 -4.403 1.00 . A A . 8 LEU O 1 1
2 282 1 1 9 ABA C C -0.991 12.866 -5.171 1.00 . A A . 9 AIB C 1 1
2 283 1 1 9 ABA CA C -0.025 11.799 -5.675 1.00 . A A . 9 AIB CA 1 1
2 284 1 1 9 ABA H H 0.354 10.354 -4.176 1.00 . A A . 9 AIB H 1 1
2 285 1 1 9 ABA N N 0.675 11.203 -4.543 1.00 . A A . 9 AIB N 1 1
2 286 1 1 9 ABA O O -1.467 13.699 -5.941 1.00 . A A . 9 AIB O 1 1
2 287 1 1 10 ABA C C -1.655 15.211 -3.498 1.00 . A A . 10 AIB C 1 1
2 288 1 1 10 ABA CA C -2.184 13.799 -3.266 1.00 . A A . 10 AIB CA 1 1
2 289 1 1 10 ABA H H -0.864 12.145 -3.311 1.00 . A A . 10 AIB H 1 1
2 290 1 1 10 ABA N N -1.275 12.834 -3.873 1.00 . A A . 10 AIB N 1 1
2 291 1 1 10 ABA O O -2.347 16.080 -4.028 1.00 . A A . 10 AIB O 1 1
2 292 1 1 11 HYP C C 0.227 17.245 -4.687 1.00 . A A . 11 HYP C 1 1
2 293 1 1 11 HYP CA C 0.251 16.751 -3.244 1.00 . A A . 11 HYP CA 1 1
2 294 1 1 11 HYP CB C 1.689 16.487 -2.793 1.00 . A A . 11 HYP CB 1 1
2 295 1 1 11 HYP CD C 0.484 14.457 -2.451 1.00 . A A . 11 HYP CD 1 1
2 296 1 1 11 HYP CG C 1.598 15.277 -1.928 1.00 . A A . 11 HYP CG 1 1
2 297 1 1 11 HYP HA H -0.198 17.496 -2.603 1.00 . A A . 11 HYP HA 1 1
2 298 1 1 11 HYP HB2 H 2.313 16.309 -3.658 1.00 . A A . 11 HYP HB2 1 1
2 299 1 1 11 HYP HB3 H 2.061 17.338 -2.243 1.00 . A A . 11 HYP HB3 1 1
2 300 1 1 11 HYP HD1 H 1.102 15.602 -0.046 1.00 . A A . 11 HYP HD1 1 1
2 301 1 1 11 HYP HD22 H 0.711 13.647 -3.129 1.00 . A A . 11 HYP HD22 1 1
2 302 1 1 11 HYP HD23 H 0.042 14.077 -1.542 1.00 . A A . 11 HYP HD23 1 1
2 303 1 1 11 HYP HG H 2.277 14.523 -2.298 1.00 . A A . 11 HYP HG 1 1
2 304 1 1 11 HYP N N -0.399 15.446 -3.091 1.00 . A A . 11 HYP N 1 1
2 305 1 1 11 HYP O O 0.423 18.431 -4.949 1.00 . A A . 11 HYP O 1 1
2 306 1 1 11 HYP OD1 O 1.909 15.595 -0.565 1.00 . A A . 11 HYP OD1 1 1
2 307 1 1 12 GLN C C -1.470 17.094 -7.443 1.00 . A A . 12 GLN C 1 1
2 308 1 1 12 GLN CA C -0.063 16.670 -7.034 1.00 . A A . 12 GLN CA 1 1
2 309 1 1 12 GLN CB C 0.393 15.483 -7.884 1.00 . A A . 12 GLN CB 1 1
2 310 1 1 12 GLN CD C 2.605 16.514 -8.541 1.00 . A A . 12 GLN CD 1 1
2 311 1 1 12 GLN CG C 1.903 15.315 -7.934 1.00 . A A . 12 GLN CG 1 1
2 312 1 1 12 GLN H H -0.162 15.398 -5.346 1.00 . A A . 12 GLN H 1 1
2 313 1 1 12 GLN HA H 0.611 17.498 -7.197 1.00 . A A . 12 GLN HA 1 1
2 314 1 1 12 GLN HB2 H -0.035 14.579 -7.478 1.00 . A A . 12 GLN HB2 1 1
2 315 1 1 12 GLN HB3 H 0.035 15.620 -8.894 1.00 . A A . 12 GLN HB3 1 1
2 316 1 1 12 GLN HE21 H 2.986 17.240 -6.730 1.00 . A A . 12 GLN HE21 1 1
2 317 1 1 12 GLN HE22 H 3.558 18.189 -8.055 1.00 . A A . 12 GLN HE22 1 1
2 318 1 1 12 GLN HG2 H 2.271 15.175 -6.928 1.00 . A A . 12 GLN HG2 1 1
2 319 1 1 12 GLN HG3 H 2.136 14.442 -8.525 1.00 . A A . 12 GLN HG3 1 1
2 320 1 1 12 GLN N N -0.014 16.327 -5.618 1.00 . A A . 12 GLN N 1 1
2 321 1 1 12 GLN NE2 N 3.099 17.405 -7.690 1.00 . A A . 12 GLN NE2 1 1
2 322 1 1 12 GLN O O -1.663 17.708 -8.492 1.00 . A A . 12 GLN O 1 1
2 323 1 1 12 GLN OE1 O 2.701 16.638 -9.763 1.00 . A A . 12 GLN OE1 1 1
2 324 1 1 13 . C C -3.982 18.622 -6.951 1.00 . A A . 13 DIV C 1 1
2 325 1 1 13 . CA C -3.838 17.105 -6.885 1.00 . A A . 13 DIV CA 1 1
2 326 1 1 13 . CB1 C -4.258 16.497 -8.219 1.00 . A A . 13 DIV CB1 1 1
2 327 1 1 13 . CB2 C -4.728 16.558 -5.774 1.00 . A A . 13 DIV CB2 1 1
2 328 1 1 13 . CG1 C -3.534 15.212 -8.557 1.00 . A A . 13 DIV CG1 1 1
2 329 1 1 13 . H H -2.232 16.271 -5.789 1.00 . A A . 13 DIV H 1 1
2 330 1 1 13 . HB11 H -4.071 17.208 -9.010 1.00 . A A . 13 DIV HB11 1 1
2 331 1 1 13 . HB12 H -5.318 16.291 -8.199 1.00 . A A . 13 DIV HB12 1 1
2 332 1 1 13 . HB21 H -4.200 15.783 -5.239 1.00 . A A . 13 DIV HB21 1 1
2 333 1 1 13 . HB22 H -5.630 16.149 -6.204 1.00 . A A . 13 DIV HB22 1 1
2 334 1 1 13 . HB23 H -4.984 17.356 -5.092 1.00 . A A . 13 DIV HB23 1 1
2 335 1 1 13 . HG11 H -3.412 14.621 -7.661 1.00 . A A . 13 DIV HG11 1 1
2 336 1 1 13 . HG12 H -2.563 15.444 -8.969 1.00 . A A . 13 DIV HG12 1 1
2 337 1 1 13 . HG13 H -4.109 14.654 -9.281 1.00 . A A . 13 DIV HG13 1 1
2 338 1 1 13 . N N -2.449 16.760 -6.609 1.00 . A A . 13 DIV N 1 1
2 339 1 1 13 . O O -4.531 19.178 -7.902 1.00 . A A . 13 DIV O 1 1
2 340 1 1 14 HYP C C -2.414 21.444 -6.621 1.00 . A A . 14 HYP C 1 1
2 341 1 1 14 HYP CA C -3.535 20.773 -5.834 1.00 . A A . 14 HYP CA 1 1
2 342 1 1 14 HYP CB C -3.377 21.050 -4.337 1.00 . A A . 14 HYP CB 1 1
2 343 1 1 14 HYP CD C -2.807 18.714 -4.748 1.00 . A A . 14 HYP CD 1 1
2 344 1 1 14 HYP CG C -2.673 19.851 -3.801 1.00 . A A . 14 HYP CG 1 1
2 345 1 1 14 HYP HA H -4.488 21.151 -6.173 1.00 . A A . 14 HYP HA 1 1
2 346 1 1 14 HYP HB2 H -2.794 21.949 -4.194 1.00 . A A . 14 HYP HB2 1 1
2 347 1 1 14 HYP HB3 H -4.350 21.170 -3.885 1.00 . A A . 14 HYP HB3 1 1
2 348 1 1 14 HYP HD1 H -4.120 19.718 -2.466 1.00 . A A . 14 HYP HD1 1 1
2 349 1 1 14 HYP HD22 H -1.849 18.297 -5.023 1.00 . A A . 14 HYP HD22 1 1
2 350 1 1 14 HYP HD23 H -3.431 17.960 -4.290 1.00 . A A . 14 HYP HD23 1 1
2 351 1 1 14 HYP HG H -1.616 20.062 -3.729 1.00 . A A . 14 HYP HG 1 1
2 352 1 1 14 HYP N N -3.476 19.310 -5.916 1.00 . A A . 14 HYP N 1 1
2 353 1 1 14 HYP O O -2.363 22.669 -6.724 1.00 . A A . 14 HYP O 1 1
2 354 1 1 14 HYP OD1 O -3.191 19.480 -2.518 1.00 . A A . 14 HYP OD1 1 1
2 355 1 1 15 ABA C C -0.926 22.033 -9.077 1.00 . A A . 15 AIB C 1 1
2 356 1 1 15 ABA CA C -0.399 21.149 -7.952 1.00 . A A . 15 AIB CA 1 1
2 357 1 1 15 ABA H H -1.613 19.665 -7.056 1.00 . A A . 15 AIB H 1 1
2 358 1 1 15 ABA N N -1.519 20.633 -7.174 1.00 . A A . 15 AIB N 1 1
2 359 1 1 15 ABA O O -0.569 23.205 -9.199 1.00 . A A . 15 AIB O 1 1
2 360 1 1 16 PRO C C -3.461 23.174 -10.608 1.00 . A A . 16 PRO C 1 1
2 361 1 1 16 PRO CA C -2.393 22.179 -11.052 1.00 . A A . 16 PRO CA 1 1
2 362 1 1 16 PRO CB C -3.019 21.062 -11.891 1.00 . A A . 16 PRO CB 1 1
2 363 1 1 16 PRO CD C -2.268 20.068 -9.837 1.00 . A A . 16 PRO CD 1 1
2 364 1 1 16 PRO CG C -3.293 19.966 -10.920 1.00 . A A . 16 PRO CG 1 1
2 365 1 1 16 PRO HA H -1.643 22.693 -11.635 1.00 . A A . 16 PRO HA 1 1
2 366 1 1 16 PRO HB2 H -3.929 21.421 -12.351 1.00 . A A . 16 PRO HB2 1 1
2 367 1 1 16 PRO HB3 H -2.324 20.748 -12.655 1.00 . A A . 16 PRO HB3 1 1
2 368 1 1 16 PRO HD2 H -2.732 19.875 -8.881 1.00 . A A . 16 PRO HD2 1 1
2 369 1 1 16 PRO HD3 H -1.457 19.376 -10.011 1.00 . A A . 16 PRO HD3 1 1
2 370 1 1 16 PRO HG2 H -4.280 20.086 -10.501 1.00 . A A . 16 PRO HG2 1 1
2 371 1 1 16 PRO HG3 H -3.207 19.009 -11.414 1.00 . A A . 16 PRO HG3 1 1
2 372 1 1 16 PRO N N -1.798 21.460 -9.921 1.00 . A A . 16 PRO N 1 1
2 373 1 1 16 PRO O O -3.931 23.990 -11.402 1.00 . A A . 16 PRO O 1 1
2 374 1 1 17 PHL C C -4.239 24.947 -7.763 1.00 . A A . 17 PHL C 1 1
2 375 1 1 17 PHL CA C -4.851 23.996 -8.788 1.00 . A A . 17 PHL CA 1 1
2 376 1 1 17 PHL CB C -5.979 23.189 -8.141 1.00 . A A . 17 PHL CB 1 1
2 377 1 1 17 PHL CD1 C -7.724 23.776 -9.846 1.00 . A A . 17 PHL CD1 1 1
2 378 1 1 17 PHL CD2 C -7.441 21.483 -9.258 1.00 . A A . 17 PHL CD2 1 1
2 379 1 1 17 PHL CE1 C -8.728 23.430 -10.731 1.00 . A A . 17 PHL CE1 1 1
2 380 1 1 17 PHL CE2 C -8.444 21.130 -10.142 1.00 . A A . 17 PHL CE2 1 1
2 381 1 1 17 PHL CG C -7.070 22.809 -9.101 1.00 . A A . 17 PHL CG 1 1
2 382 1 1 17 PHL CZ C -9.089 22.105 -10.878 1.00 . A A . 17 PHL CZ 1 1
2 383 1 1 17 PHL H H -3.427 22.430 -8.753 1.00 . A A . 17 PHL H 1 1
2 384 1 1 17 PHL HA H -5.256 24.576 -9.602 1.00 . A A . 17 PHL HA 1 1
2 385 1 1 17 PHL HB2 H -5.570 22.280 -7.728 1.00 . A A . 17 PHL HB2 1 1
2 386 1 1 17 PHL HB3 H -6.421 23.774 -7.349 1.00 . A A . 17 PHL HB3 1 1
2 387 1 1 17 PHL HC1 H -4.042 24.406 -6.849 1.00 . A A . 17 PHL HC1 1 1
2 388 1 1 17 PHL HC2 H -3.316 25.347 -8.155 1.00 . A A . 17 PHL HC2 1 1
2 389 1 1 17 PHL HD1 H -7.442 24.814 -9.732 1.00 . A A . 17 PHL HD1 1 1
2 390 1 1 17 PHL HD2 H -6.939 20.720 -8.682 1.00 . A A . 17 PHL HD2 1 1
2 391 1 1 17 PHL HE1 H -9.230 24.194 -11.305 1.00 . A A . 17 PHL HE1 1 1
2 392 1 1 17 PHL HE2 H -8.725 20.093 -10.254 1.00 . A A . 17 PHL HE2 1 1
2 393 1 1 17 PHL HO H -4.705 26.638 -6.859 1.00 . A A . 17 PHL HO 1 1
2 394 1 1 17 PHL HZ H -9.872 21.831 -11.569 1.00 . A A . 17 PHL HZ 1 1
2 395 1 1 17 PHL N N -3.838 23.102 -9.336 1.00 . A A . 17 PHL N 1 1
2 396 1 1 17 PHL O O -5.127 26.034 -7.474 1.00 . A A . 17 PHL O 1 1
3 397 1 1 1 ACE C C 1.486 0.919 -2.235 1.00 . A A . 1 ACE C 1 1
3 398 1 1 1 ACE CH3 C 2.067 -0.037 -1.212 1.00 . A A . 1 ACE CH3 1 1
3 399 1 1 1 ACE H1 H 2.820 0.472 -0.629 1.00 . A A . 1 ACE H1 1 1
3 400 1 1 1 ACE H2 H 2.513 -0.880 -1.718 1.00 . A A . 1 ACE H2 1 1
3 401 1 1 1 ACE H3 H 1.281 -0.386 -0.557 1.00 . A A . 1 ACE H3 1 1
3 402 1 1 1 ACE O O 1.764 2.118 -2.203 1.00 . A A . 1 ACE O 1 1
3 403 1 1 2 PHE C C -0.897 2.225 -3.578 1.00 . A A . 2 PHE C 1 1
3 404 1 1 2 PHE CA C 0.058 1.202 -4.186 1.00 . A A . 2 PHE CA 1 1
3 405 1 1 2 PHE CB C -0.692 0.314 -5.179 1.00 . A A . 2 PHE CB 1 1
3 406 1 1 2 PHE CD1 C -2.087 1.867 -6.572 1.00 . A A . 2 PHE CD1 1 1
3 407 1 1 2 PHE CD2 C -0.230 0.780 -7.601 1.00 . A A . 2 PHE CD2 1 1
3 408 1 1 2 PHE CE1 C -2.381 2.499 -7.765 1.00 . A A . 2 PHE CE1 1 1
3 409 1 1 2 PHE CE2 C -0.520 1.410 -8.797 1.00 . A A . 2 PHE CE2 1 1
3 410 1 1 2 PHE CG C -1.010 1.000 -6.477 1.00 . A A . 2 PHE CG 1 1
3 411 1 1 2 PHE CZ C -1.596 2.272 -8.879 1.00 . A A . 2 PHE CZ 1 1
3 412 1 1 2 PHE H H 0.495 -0.574 -3.120 1.00 . A A . 2 PHE H 1 1
3 413 1 1 2 PHE HA H 0.844 1.727 -4.707 1.00 . A A . 2 PHE HA 1 1
3 414 1 1 2 PHE HB2 H -0.090 -0.554 -5.402 1.00 . A A . 2 PHE HB2 1 1
3 415 1 1 2 PHE HB3 H -1.623 -0.005 -4.734 1.00 . A A . 2 PHE HB3 1 1
3 416 1 1 2 PHE HD1 H -2.701 2.047 -5.702 1.00 . A A . 2 PHE HD1 1 1
3 417 1 1 2 PHE HD2 H 0.613 0.106 -7.538 1.00 . A A . 2 PHE HD2 1 1
3 418 1 1 2 PHE HE1 H -3.223 3.172 -7.827 1.00 . A A . 2 PHE HE1 1 1
3 419 1 1 2 PHE HE2 H 0.096 1.230 -9.665 1.00 . A A . 2 PHE HE2 1 1
3 420 1 1 2 PHE HZ H -1.824 2.764 -9.812 1.00 . A A . 2 PHE HZ 1 1
3 421 1 1 2 PHE N N 0.678 0.388 -3.146 1.00 . A A . 2 PHE N 1 1
3 422 1 1 2 PHE O O -0.772 3.426 -3.817 1.00 . A A . 2 PHE O 1 1
3 423 1 1 3 ABA C C -2.104 3.707 -1.378 1.00 . A A . 3 AIB C 1 1
3 424 1 1 3 ABA CA C -2.829 2.610 -2.149 1.00 . A A . 3 AIB CA 1 1
3 425 1 1 3 ABA H H -1.900 0.773 -2.639 1.00 . A A . 3 AIB H 1 1
3 426 1 1 3 ABA N N -1.852 1.739 -2.791 1.00 . A A . 3 AIB N 1 1
3 427 1 1 3 ABA O O -2.422 4.888 -1.511 1.00 . A A . 3 AIB O 1 1
3 428 1 1 4 ABA C C 0.382 5.216 -0.707 1.00 . A A . 4 AIB C 1 1
3 429 1 1 4 ABA CA C -0.355 4.258 0.223 1.00 . A A . 4 AIB CA 1 1
3 430 1 1 4 ABA H H -0.919 2.353 -0.507 1.00 . A A . 4 AIB H 1 1
3 431 1 1 4 ABA N N -1.126 3.308 -0.570 1.00 . A A . 4 AIB N 1 1
3 432 1 1 4 ABA O O 0.509 6.405 -0.415 1.00 . A A . 4 AIB O 1 1
3 433 1 1 5 ABA C C 0.730 6.685 -3.217 1.00 . A A . 5 AIB C 1 1
3 434 1 1 5 ABA CA C 1.592 5.499 -2.799 1.00 . A A . 5 AIB CA 1 1
3 435 1 1 5 ABA H H 0.734 3.736 -2.003 1.00 . A A . 5 AIB H 1 1
3 436 1 1 5 ABA N N 0.867 4.690 -1.827 1.00 . A A . 5 AIB N 1 1
3 437 1 1 5 ABA O O 1.244 7.760 -3.526 1.00 . A A . 5 AIB O 1 1
3 438 1 1 6 . C C -1.225 8.792 -2.791 1.00 . A A . 6 DIV C 1 1
3 439 1 1 6 . CA C -1.517 7.536 -3.605 1.00 . A A . 6 DIV CA 1 1
3 440 1 1 6 . CB1 C -1.359 7.844 -5.090 1.00 . A A . 6 DIV CB1 1 1
3 441 1 1 6 . CB2 C -2.944 7.073 -3.330 1.00 . A A . 6 DIV CB2 1 1
3 442 1 1 6 . CG1 C -1.347 6.612 -5.969 1.00 . A A . 6 DIV CG1 1 1
3 443 1 1 6 . H H -0.933 5.604 -2.968 1.00 . A A . 6 DIV H 1 1
3 444 1 1 6 . HB11 H -0.434 8.378 -5.247 1.00 . A A . 6 DIV HB11 1 1
3 445 1 1 6 . HB12 H -2.171 8.479 -5.411 1.00 . A A . 6 DIV HB12 1 1
3 446 1 1 6 . HB21 H -3.631 7.646 -3.936 1.00 . A A . 6 DIV HB21 1 1
3 447 1 1 6 . HB22 H -3.176 7.221 -2.286 1.00 . A A . 6 DIV HB22 1 1
3 448 1 1 6 . HB23 H -3.036 6.025 -3.575 1.00 . A A . 6 DIV HB23 1 1
3 449 1 1 6 . HG11 H -2.186 5.981 -5.715 1.00 . A A . 6 DIV HG11 1 1
3 450 1 1 6 . HG12 H -0.427 6.069 -5.815 1.00 . A A . 6 DIV HG12 1 1
3 451 1 1 6 . HG13 H -1.422 6.909 -7.005 1.00 . A A . 6 DIV HG13 1 1
3 452 1 1 6 . N N -0.584 6.482 -3.224 1.00 . A A . 6 DIV N 1 1
3 453 1 1 6 . O O -1.402 9.910 -3.272 1.00 . A A . 6 DIV O 1 1
3 454 1 1 7 GLY C C 0.484 10.711 -1.347 1.00 . A A . 7 GLY C 1 1
3 455 1 1 7 GLY CA C -0.465 9.726 -0.694 1.00 . A A . 7 GLY CA 1 1
3 456 1 1 7 GLY H H -0.653 7.685 -1.224 1.00 . A A . 7 GLY H 1 1
3 457 1 1 7 GLY HA2 H -1.383 10.238 -0.445 1.00 . A A . 7 GLY HA2 1 1
3 458 1 1 7 GLY HA3 H -0.013 9.356 0.215 1.00 . A A . 7 GLY HA3 1 1
3 459 1 1 7 GLY N N -0.775 8.599 -1.555 1.00 . A A . 7 GLY N 1 1
3 460 1 1 7 GLY O O 0.386 11.919 -1.127 1.00 . A A . 7 GLY O 1 1
3 461 1 1 8 LEU C C 1.737 11.769 -4.010 1.00 . A A . 8 LEU C 1 1
3 462 1 1 8 LEU CA C 2.381 11.037 -2.838 1.00 . A A . 8 LEU CA 1 1
3 463 1 1 8 LEU CB C 3.557 10.193 -3.332 1.00 . A A . 8 LEU CB 1 1
3 464 1 1 8 LEU CD1 C 5.658 8.948 -2.768 1.00 . A A . 8 LEU CD1 1 1
3 465 1 1 8 LEU CD2 C 4.400 10.151 -0.972 1.00 . A A . 8 LEU CD2 1 1
3 466 1 1 8 LEU CG C 4.283 9.366 -2.271 1.00 . A A . 8 LEU CG 1 1
3 467 1 1 8 LEU H H 1.436 9.225 -2.287 1.00 . A A . 8 LEU H 1 1
3 468 1 1 8 LEU HA H 2.745 11.767 -2.130 1.00 . A A . 8 LEU HA 1 1
3 469 1 1 8 LEU HB2 H 3.183 9.513 -4.082 1.00 . A A . 8 LEU HB2 1 1
3 470 1 1 8 LEU HB3 H 4.277 10.862 -3.782 1.00 . A A . 8 LEU HB3 1 1
3 471 1 1 8 LEU HD11 H 5.549 8.200 -3.539 1.00 . A A . 8 LEU HD11 1 1
3 472 1 1 8 LEU HD12 H 6.228 8.539 -1.948 1.00 . A A . 8 LEU HD12 1 1
3 473 1 1 8 LEU HD13 H 6.172 9.808 -3.171 1.00 . A A . 8 LEU HD13 1 1
3 474 1 1 8 LEU HD21 H 5.194 9.733 -0.371 1.00 . A A . 8 LEU HD21 1 1
3 475 1 1 8 LEU HD22 H 3.468 10.089 -0.429 1.00 . A A . 8 LEU HD22 1 1
3 476 1 1 8 LEU HD23 H 4.621 11.184 -1.194 1.00 . A A . 8 LEU HD23 1 1
3 477 1 1 8 LEU HG H 3.713 8.469 -2.070 1.00 . A A . 8 LEU HG 1 1
3 478 1 1 8 LEU N N 1.408 10.195 -2.151 1.00 . A A . 8 LEU N 1 1
3 479 1 1 8 LEU O O 2.195 12.837 -4.416 1.00 . A A . 8 LEU O 1 1
3 480 1 1 9 ABA C C -1.001 12.852 -5.160 1.00 . A A . 9 AIB C 1 1
3 481 1 1 9 ABA CA C -0.039 11.787 -5.674 1.00 . A A . 9 AIB CA 1 1
3 482 1 1 9 ABA H H 0.352 10.338 -4.182 1.00 . A A . 9 AIB H 1 1
3 483 1 1 9 ABA N N 0.670 11.188 -4.550 1.00 . A A . 9 AIB N 1 1
3 484 1 1 9 ABA O O -1.484 13.688 -5.924 1.00 . A A . 9 AIB O 1 1
3 485 1 1 10 ABA C C -1.654 15.192 -3.476 1.00 . A A . 10 AIB C 1 1
3 486 1 1 10 ABA CA C -2.181 13.780 -3.244 1.00 . A A . 10 AIB CA 1 1
3 487 1 1 10 ABA H H -0.860 12.127 -3.303 1.00 . A A . 10 AIB H 1 1
3 488 1 1 10 ABA N N -1.276 12.817 -3.860 1.00 . A A . 10 AIB N 1 1
3 489 1 1 10 ABA O O -2.351 16.062 -3.999 1.00 . A A . 10 AIB O 1 1
3 490 1 1 11 HYP C C 0.218 17.230 -4.674 1.00 . A A . 11 HYP C 1 1
3 491 1 1 11 HYP CA C 0.253 16.733 -3.233 1.00 . A A . 11 HYP CA 1 1
3 492 1 1 11 HYP CB C 1.695 16.468 -2.793 1.00 . A A . 11 HYP CB 1 1
3 493 1 1 11 HYP CD C 0.493 14.437 -2.447 1.00 . A A . 11 HYP CD 1 1
3 494 1 1 11 HYP CG C 1.611 15.256 -1.930 1.00 . A A . 11 HYP CG 1 1
3 495 1 1 11 HYP HA H -0.191 17.476 -2.586 1.00 . A A . 11 HYP HA 1 1
3 496 1 1 11 HYP HB2 H 2.313 16.292 -3.663 1.00 . A A . 11 HYP HB2 1 1
3 497 1 1 11 HYP HB3 H 2.070 17.318 -2.244 1.00 . A A . 11 HYP HB3 1 1
3 498 1 1 11 HYP HD1 H 2.604 15.035 -0.240 1.00 . A A . 11 HYP HD1 1 1
3 499 1 1 11 HYP HD22 H 0.715 13.629 -3.129 1.00 . A A . 11 HYP HD22 1 1
3 500 1 1 11 HYP HD23 H 0.058 14.055 -1.536 1.00 . A A . 11 HYP HD23 1 1
3 501 1 1 11 HYP HG H 2.315 14.517 -2.284 1.00 . A A . 11 HYP HG 1 1
3 502 1 1 11 HYP N N -0.395 15.427 -3.078 1.00 . A A . 11 HYP N 1 1
3 503 1 1 11 HYP O O 0.412 18.417 -4.935 1.00 . A A . 11 HYP O 1 1
3 504 1 1 11 HYP OD1 O 1.882 15.580 -0.561 1.00 . A A . 11 HYP OD1 1 1
3 505 1 1 12 GLN C C -1.499 17.086 -7.418 1.00 . A A . 12 GLN C 1 1
3 506 1 1 12 GLN CA C -0.089 16.662 -7.020 1.00 . A A . 12 GLN CA 1 1
3 507 1 1 12 GLN CB C 0.361 15.477 -7.877 1.00 . A A . 12 GLN CB 1 1
3 508 1 1 12 GLN CD C 2.569 16.518 -8.531 1.00 . A A . 12 GLN CD 1 1
3 509 1 1 12 GLN CG C 1.871 15.310 -7.938 1.00 . A A . 12 GLN CG 1 1
3 510 1 1 12 GLN H H -0.175 15.385 -5.334 1.00 . A A . 12 GLN H 1 1
3 511 1 1 12 GLN HA H 0.583 17.490 -7.186 1.00 . A A . 12 GLN HA 1 1
3 512 1 1 12 GLN HB2 H -0.064 14.572 -7.470 1.00 . A A . 12 GLN HB2 1 1
3 513 1 1 12 GLN HB3 H -0.004 15.617 -8.883 1.00 . A A . 12 GLN HB3 1 1
3 514 1 1 12 GLN HE21 H 3.180 17.082 -6.725 1.00 . A A . 12 GLN HE21 1 1
3 515 1 1 12 GLN HE22 H 3.659 18.104 -8.033 1.00 . A A . 12 GLN HE22 1 1
3 516 1 1 12 GLN HG2 H 2.244 15.154 -6.936 1.00 . A A . 12 GLN HG2 1 1
3 517 1 1 12 GLN HG3 H 2.100 14.446 -8.545 1.00 . A A . 12 GLN HG3 1 1
3 518 1 1 12 GLN N N -0.029 16.315 -5.605 1.00 . A A . 12 GLN N 1 1
3 519 1 1 12 GLN NE2 N 3.199 17.316 -7.677 1.00 . A A . 12 GLN NE2 1 1
3 520 1 1 12 GLN O O -1.700 17.702 -8.463 1.00 . A A . 12 GLN O 1 1
3 521 1 1 12 GLN OE1 O 2.541 16.732 -9.743 1.00 . A A . 12 GLN OE1 1 1
3 522 1 1 13 . C C -4.008 18.612 -6.902 1.00 . A A . 13 DIV C 1 1
3 523 1 1 13 . CA C -3.863 17.095 -6.842 1.00 . A A . 13 DIV CA 1 1
3 524 1 1 13 . CB1 C -4.293 16.489 -8.174 1.00 . A A . 13 DIV CB1 1 1
3 525 1 1 13 . CB2 C -4.745 16.544 -5.725 1.00 . A A . 13 DIV CB2 1 1
3 526 1 1 13 . CG1 C -3.571 15.206 -8.521 1.00 . A A . 13 DIV CG1 1 1
3 527 1 1 13 . H H -2.248 16.258 -5.760 1.00 . A A . 13 DIV H 1 1
3 528 1 1 13 . HB11 H -4.112 17.202 -8.964 1.00 . A A . 13 DIV HB11 1 1
3 529 1 1 13 . HB12 H -5.353 16.283 -8.146 1.00 . A A . 13 DIV HB12 1 1
3 530 1 1 13 . HB21 H -4.996 17.340 -5.039 1.00 . A A . 13 DIV HB21 1 1
3 531 1 1 13 . HB22 H -4.212 15.768 -5.196 1.00 . A A . 13 DIV HB22 1 1
3 532 1 1 13 . HB23 H -5.650 16.136 -6.150 1.00 . A A . 13 DIV HB23 1 1
3 533 1 1 13 . HG11 H -2.603 15.439 -8.940 1.00 . A A . 13 DIV HG11 1 1
3 534 1 1 13 . HG12 H -4.151 14.650 -9.242 1.00 . A A . 13 DIV HG12 1 1
3 535 1 1 13 . HG13 H -3.443 14.612 -7.628 1.00 . A A . 13 DIV HG13 1 1
3 536 1 1 13 . N N -2.472 16.750 -6.577 1.00 . A A . 13 DIV N 1 1
3 537 1 1 13 . O O -4.565 19.169 -7.848 1.00 . A A . 13 DIV O 1 1
3 538 1 1 14 HYP C C -2.440 21.433 -6.576 1.00 . A A . 14 HYP C 1 1
3 539 1 1 14 HYP CA C -3.554 20.759 -5.783 1.00 . A A . 14 HYP CA 1 1
3 540 1 1 14 HYP CB C -3.385 21.033 -4.286 1.00 . A A . 14 HYP CB 1 1
3 541 1 1 14 HYP CD C -2.817 18.698 -4.708 1.00 . A A . 14 HYP CD 1 1
3 542 1 1 14 HYP CG C -2.677 19.833 -3.759 1.00 . A A . 14 HYP CG 1 1
3 543 1 1 14 HYP HA H -4.510 21.138 -6.114 1.00 . A A . 14 HYP HA 1 1
3 544 1 1 14 HYP HB2 H -2.801 21.931 -4.145 1.00 . A A . 14 HYP HB2 1 1
3 545 1 1 14 HYP HB3 H -4.355 21.152 -3.827 1.00 . A A . 14 HYP HB3 1 1
3 546 1 1 14 HYP HD1 H -2.309 19.765 -1.822 1.00 . A A . 14 HYP HD1 1 1
3 547 1 1 14 HYP HD22 H -1.861 18.282 -4.992 1.00 . A A . 14 HYP HD22 1 1
3 548 1 1 14 HYP HD23 H -3.437 17.943 -4.248 1.00 . A A . 14 HYP HD23 1 1
3 549 1 1 14 HYP HG H -1.610 19.990 -3.829 1.00 . A A . 14 HYP HG 1 1
3 550 1 1 14 HYP N N -3.495 19.297 -5.870 1.00 . A A . 14 HYP N 1 1
3 551 1 1 14 HYP O O -2.390 22.658 -6.677 1.00 . A A . 14 HYP O 1 1
3 552 1 1 14 HYP OD1 O -3.049 19.570 -2.401 1.00 . A A . 14 HYP OD1 1 1
3 553 1 1 15 ABA C C -0.970 22.029 -9.042 1.00 . A A . 15 AIB C 1 1
3 554 1 1 15 ABA CA C -0.434 21.143 -7.923 1.00 . A A . 15 AIB CA 1 1
3 555 1 1 15 ABA H H -1.641 19.656 -7.022 1.00 . A A . 15 AIB H 1 1
3 556 1 1 15 ABA N N -1.547 20.624 -7.138 1.00 . A A . 15 AIB N 1 1
3 557 1 1 15 ABA O O -0.614 23.202 -9.163 1.00 . A A . 15 AIB O 1 1
3 558 1 1 16 PRO C C -3.516 23.173 -10.551 1.00 . A A . 16 PRO C 1 1
3 559 1 1 16 PRO CA C -2.452 22.180 -11.005 1.00 . A A . 16 PRO CA 1 1
3 560 1 1 16 PRO CB C -3.083 21.066 -11.844 1.00 . A A . 16 PRO CB 1 1
3 561 1 1 16 PRO CD C -2.317 20.066 -9.797 1.00 . A A . 16 PRO CD 1 1
3 562 1 1 16 PRO CG C -3.349 19.967 -10.874 1.00 . A A . 16 PRO CG 1 1
3 563 1 1 16 PRO HA H -1.706 22.696 -11.592 1.00 . A A . 16 PRO HA 1 1
3 564 1 1 16 PRO HB2 H -3.997 21.425 -12.295 1.00 . A A . 16 PRO HB2 1 1
3 565 1 1 16 PRO HB3 H -2.393 20.754 -12.613 1.00 . A A . 16 PRO HB3 1 1
3 566 1 1 16 PRO HD2 H -2.773 19.870 -8.838 1.00 . A A . 16 PRO HD2 1 1
3 567 1 1 16 PRO HD3 H -1.506 19.375 -9.980 1.00 . A A . 16 PRO HD3 1 1
3 568 1 1 16 PRO HG2 H -4.333 20.085 -10.446 1.00 . A A . 16 PRO HG2 1 1
3 569 1 1 16 PRO HG3 H -3.267 19.011 -11.370 1.00 . A A . 16 PRO HG3 1 1
3 570 1 1 16 PRO N N -1.847 21.459 -9.881 1.00 . A A . 16 PRO N 1 1
3 571 1 1 16 PRO O O -3.993 23.991 -11.339 1.00 . A A . 16 PRO O 1 1
3 572 1 1 17 PHL C C -4.327 24.785 -7.545 1.00 . A A . 17 PHL C 1 1
3 573 1 1 17 PHL CA C -4.893 23.990 -8.718 1.00 . A A . 17 PHL CA 1 1
3 574 1 1 17 PHL CB C -6.116 23.191 -8.264 1.00 . A A . 17 PHL CB 1 1
3 575 1 1 17 PHL CD1 C -7.528 21.694 -9.701 1.00 . A A . 17 PHL CD1 1 1
3 576 1 1 17 PHL CD2 C -7.681 24.051 -10.027 1.00 . A A . 17 PHL CD2 1 1
3 577 1 1 17 PHL CE1 C -8.459 21.491 -10.702 1.00 . A A . 17 PHL CE1 1 1
3 578 1 1 17 PHL CE2 C -8.613 23.855 -11.028 1.00 . A A . 17 PHL CE2 1 1
3 579 1 1 17 PHL CG C -7.129 22.974 -9.352 1.00 . A A . 17 PHL CG 1 1
3 580 1 1 17 PHL CZ C -9.002 22.573 -11.367 1.00 . A A . 17 PHL CZ 1 1
3 581 1 1 17 PHL H H -3.468 22.425 -8.698 1.00 . A A . 17 PHL H 1 1
3 582 1 1 17 PHL HA H -5.191 24.679 -9.494 1.00 . A A . 17 PHL HA 1 1
3 583 1 1 17 PHL HB2 H -5.795 22.222 -7.914 1.00 . A A . 17 PHL HB2 1 1
3 584 1 1 17 PHL HB3 H -6.602 23.718 -7.457 1.00 . A A . 17 PHL HB3 1 1
3 585 1 1 17 PHL HC1 H -4.412 24.198 -6.643 1.00 . A A . 17 PHL HC1 1 1
3 586 1 1 17 PHL HC2 H -3.288 25.010 -7.736 1.00 . A A . 17 PHL HC2 1 1
3 587 1 1 17 PHL HD1 H -7.103 20.847 -9.181 1.00 . A A . 17 PHL HD1 1 1
3 588 1 1 17 PHL HD2 H -7.377 25.054 -9.764 1.00 . A A . 17 PHL HD2 1 1
3 589 1 1 17 PHL HE1 H -8.761 20.488 -10.964 1.00 . A A . 17 PHL HE1 1 1
3 590 1 1 17 PHL HE2 H -9.036 24.702 -11.547 1.00 . A A . 17 PHL HE2 1 1
3 591 1 1 17 PHL HO H -5.065 26.237 -6.431 1.00 . A A . 17 PHL HO 1 1
3 592 1 1 17 PHL HZ H -9.730 22.417 -12.148 1.00 . A A . 17 PHL HZ 1 1
3 593 1 1 17 PHL N N -3.884 23.098 -9.277 1.00 . A A . 17 PHL N 1 1
3 594 1 1 17 PHL O O -5.039 26.015 -7.365 1.00 . A A . 17 PHL O 1 1
4 595 1 1 1 ACE C C 1.462 0.956 -2.254 1.00 . A A . 1 ACE C 1 1
4 596 1 1 1 ACE CH3 C 2.036 -0.001 -1.228 1.00 . A A . 1 ACE CH3 1 1
4 597 1 1 1 ACE H1 H 2.607 0.553 -0.498 1.00 . A A . 1 ACE H1 1 1
4 598 1 1 1 ACE H2 H 2.679 -0.715 -1.721 1.00 . A A . 1 ACE H2 1 1
4 599 1 1 1 ACE H3 H 1.231 -0.525 -0.733 1.00 . A A . 1 ACE H3 1 1
4 600 1 1 1 ACE O O 1.738 2.155 -2.219 1.00 . A A . 1 ACE O 1 1
4 601 1 1 2 PHE C C -0.913 2.262 -3.612 1.00 . A A . 2 PHE C 1 1
4 602 1 1 2 PHE CA C 0.047 1.240 -4.214 1.00 . A A . 2 PHE CA 1 1
4 603 1 1 2 PHE CB C -0.697 0.352 -5.214 1.00 . A A . 2 PHE CB 1 1
4 604 1 1 2 PHE CD1 C -2.161 1.785 -6.663 1.00 . A A . 2 PHE CD1 1 1
4 605 1 1 2 PHE CD2 C -0.131 0.940 -7.587 1.00 . A A . 2 PHE CD2 1 1
4 606 1 1 2 PHE CE1 C -2.445 2.417 -7.859 1.00 . A A . 2 PHE CE1 1 1
4 607 1 1 2 PHE CE2 C -0.410 1.570 -8.785 1.00 . A A . 2 PHE CE2 1 1
4 608 1 1 2 PHE CG C -1.002 1.039 -6.514 1.00 . A A . 2 PHE CG 1 1
4 609 1 1 2 PHE CZ C -1.568 2.311 -8.921 1.00 . A A . 2 PHE CZ 1 1
4 610 1 1 2 PHE H H 0.477 -0.537 -3.148 1.00 . A A . 2 PHE H 1 1
4 611 1 1 2 PHE HA H 0.836 1.766 -4.730 1.00 . A A . 2 PHE HA 1 1
4 612 1 1 2 PHE HB2 H -0.093 -0.516 -5.432 1.00 . A A . 2 PHE HB2 1 1
4 613 1 1 2 PHE HB3 H -1.631 0.035 -4.777 1.00 . A A . 2 PHE HB3 1 1
4 614 1 1 2 PHE HD1 H -2.847 1.870 -5.834 1.00 . A A . 2 PHE HD1 1 1
4 615 1 1 2 PHE HD2 H 0.775 0.361 -7.482 1.00 . A A . 2 PHE HD2 1 1
4 616 1 1 2 PHE HE1 H -3.350 2.996 -7.963 1.00 . A A . 2 PHE HE1 1 1
4 617 1 1 2 PHE HE2 H 0.278 1.485 -9.613 1.00 . A A . 2 PHE HE2 1 1
4 618 1 1 2 PHE HZ H -1.787 2.804 -9.856 1.00 . A A . 2 PHE HZ 1 1
4 619 1 1 2 PHE N N 0.660 0.426 -3.172 1.00 . A A . 2 PHE N 1 1
4 620 1 1 2 PHE O O -0.787 3.463 -3.849 1.00 . A A . 2 PHE O 1 1
4 621 1 1 3 ABA C C -2.136 3.741 -1.418 1.00 . A A . 3 AIB C 1 1
4 622 1 1 3 ABA CA C -2.855 2.644 -2.196 1.00 . A A . 3 AIB CA 1 1
4 623 1 1 3 ABA H H -1.922 0.808 -2.681 1.00 . A A . 3 AIB H 1 1
4 624 1 1 3 ABA N N -1.873 1.775 -2.832 1.00 . A A . 3 AIB N 1 1
4 625 1 1 3 ABA O O -2.454 4.922 -1.552 1.00 . A A . 3 AIB O 1 1
4 626 1 1 4 ABA C C 0.345 5.250 -0.729 1.00 . A A . 4 AIB C 1 1
4 627 1 1 4 ABA CA C -0.398 4.291 0.195 1.00 . A A . 4 AIB CA 1 1
4 628 1 1 4 ABA H H -0.956 2.386 -0.541 1.00 . A A . 4 AIB H 1 1
4 629 1 1 4 ABA N N -1.163 3.341 -0.605 1.00 . A A . 4 AIB N 1 1
4 630 1 1 4 ABA O O 0.469 6.439 -0.435 1.00 . A A . 4 AIB O 1 1
4 631 1 1 5 ABA C C 0.708 6.723 -3.235 1.00 . A A . 5 AIB C 1 1
4 632 1 1 5 ABA CA C 1.568 5.536 -2.813 1.00 . A A . 5 AIB CA 1 1
4 633 1 1 5 ABA H H 0.706 3.772 -2.025 1.00 . A A . 5 AIB H 1 1
4 634 1 1 5 ABA N N 0.837 4.726 -1.846 1.00 . A A . 5 AIB N 1 1
4 635 1 1 5 ABA O O 1.224 7.798 -3.539 1.00 . A A . 5 AIB O 1 1
4 636 1 1 6 . C C -1.250 8.828 -2.819 1.00 . A A . 6 DIV C 1 1
4 637 1 1 6 . CA C -1.536 7.572 -3.637 1.00 . A A . 6 DIV CA 1 1
4 638 1 1 6 . CB1 C -1.368 7.882 -5.120 1.00 . A A . 6 DIV CB1 1 1
4 639 1 1 6 . CB2 C -2.965 7.109 -3.373 1.00 . A A . 6 DIV CB2 1 1
4 640 1 1 6 . CG1 C -1.350 6.652 -6.001 1.00 . A A . 6 DIV CG1 1 1
4 641 1 1 6 . H H -0.955 5.640 -2.998 1.00 . A A . 6 DIV H 1 1
4 642 1 1 6 . HB11 H -0.443 8.418 -5.270 1.00 . A A . 6 DIV HB11 1 1
4 643 1 1 6 . HB12 H -2.178 8.518 -5.446 1.00 . A A . 6 DIV HB12 1 1
4 644 1 1 6 . HB21 H -3.643 7.641 -4.024 1.00 . A A . 6 DIV HB21 1 1
4 645 1 1 6 . HB22 H -3.224 7.308 -2.343 1.00 . A A . 6 DIV HB22 1 1
4 646 1 1 6 . HB23 H -3.041 6.048 -3.564 1.00 . A A . 6 DIV HB23 1 1
4 647 1 1 6 . HG11 H -1.643 5.790 -5.421 1.00 . A A . 6 DIV HG11 1 1
4 648 1 1 6 . HG12 H -0.353 6.502 -6.390 1.00 . A A . 6 DIV HG12 1 1
4 649 1 1 6 . HG13 H -2.040 6.786 -6.821 1.00 . A A . 6 DIV HG13 1 1
4 650 1 1 6 . N N -0.605 6.519 -3.251 1.00 . A A . 6 DIV N 1 1
4 651 1 1 6 . O O -1.426 9.947 -3.300 1.00 . A A . 6 DIV O 1 1
4 652 1 1 7 GLY C C 0.448 10.746 -1.361 1.00 . A A . 7 GLY C 1 1
4 653 1 1 7 GLY CA C -0.506 9.760 -0.716 1.00 . A A . 7 GLY CA 1 1
4 654 1 1 7 GLY H H -0.688 7.719 -1.250 1.00 . A A . 7 GLY H 1 1
4 655 1 1 7 GLY HA2 H -1.425 10.270 -0.472 1.00 . A A . 7 GLY HA2 1 1
4 656 1 1 7 GLY HA3 H -0.059 9.389 0.195 1.00 . A A . 7 GLY HA3 1 1
4 657 1 1 7 GLY N N -0.809 8.634 -1.580 1.00 . A A . 7 GLY N 1 1
4 658 1 1 7 GLY O O 0.347 11.953 -1.141 1.00 . A A . 7 GLY O 1 1
4 659 1 1 8 LEU C C 1.717 11.809 -4.015 1.00 . A A . 8 LEU C 1 1
4 660 1 1 8 LEU CA C 2.354 11.076 -2.839 1.00 . A A . 8 LEU CA 1 1
4 661 1 1 8 LEU CB C 3.533 10.233 -3.327 1.00 . A A . 8 LEU CB 1 1
4 662 1 1 8 LEU CD1 C 5.631 8.988 -2.750 1.00 . A A . 8 LEU CD1 1 1
4 663 1 1 8 LEU CD2 C 4.360 10.187 -0.961 1.00 . A A . 8 LEU CD2 1 1
4 664 1 1 8 LEU CG C 4.253 9.405 -2.262 1.00 . A A . 8 LEU CG 1 1
4 665 1 1 8 LEU H H 1.407 9.263 -2.297 1.00 . A A . 8 LEU H 1 1
4 666 1 1 8 LEU HA H 2.713 11.805 -2.128 1.00 . A A . 8 LEU HA 1 1
4 667 1 1 8 LEU HB2 H 3.165 9.554 -4.080 1.00 . A A . 8 LEU HB2 1 1
4 668 1 1 8 LEU HB3 H 4.256 10.903 -3.771 1.00 . A A . 8 LEU HB3 1 1
4 669 1 1 8 LEU HD11 H 5.529 8.240 -3.522 1.00 . A A . 8 LEU HD11 1 1
4 670 1 1 8 LEU HD12 H 6.197 8.580 -1.926 1.00 . A A . 8 LEU HD12 1 1
4 671 1 1 8 LEU HD13 H 6.147 9.849 -3.149 1.00 . A A . 8 LEU HD13 1 1
4 672 1 1 8 LEU HD21 H 5.188 9.807 -0.380 1.00 . A A . 8 LEU HD21 1 1
4 673 1 1 8 LEU HD22 H 3.445 10.076 -0.398 1.00 . A A . 8 LEU HD22 1 1
4 674 1 1 8 LEU HD23 H 4.524 11.231 -1.181 1.00 . A A . 8 LEU HD23 1 1
4 675 1 1 8 LEU HG H 3.683 8.507 -2.067 1.00 . A A . 8 LEU HG 1 1
4 676 1 1 8 LEU N N 1.377 10.232 -2.160 1.00 . A A . 8 LEU N 1 1
4 677 1 1 8 LEU O O 2.177 12.877 -4.416 1.00 . A A . 8 LEU O 1 1
4 678 1 1 9 ABA C C -1.014 12.891 -5.182 1.00 . A A . 9 AIB C 1 1
4 679 1 1 9 ABA CA C -0.048 11.827 -5.691 1.00 . A A . 9 AIB CA 1 1
4 680 1 1 9 ABA H H 0.335 10.376 -4.198 1.00 . A A . 9 AIB H 1 1
4 681 1 1 9 ABA N N 0.654 11.228 -4.562 1.00 . A A . 9 AIB N 1 1
4 682 1 1 9 ABA O O -1.492 13.727 -5.948 1.00 . A A . 9 AIB O 1 1
4 683 1 1 10 ABA C C -1.681 15.228 -3.499 1.00 . A A . 10 AIB C 1 1
4 684 1 1 10 ABA CA C -2.207 13.815 -3.272 1.00 . A A . 10 AIB CA 1 1
4 685 1 1 10 ABA H H -0.885 12.163 -3.325 1.00 . A A . 10 AIB H 1 1
4 686 1 1 10 ABA N N -1.298 12.853 -3.884 1.00 . A A . 10 AIB N 1 1
4 687 1 1 10 ABA O O -2.375 16.098 -4.025 1.00 . A A . 10 AIB O 1 1
4 688 1 1 11 HYP C C 0.198 17.269 -4.682 1.00 . A A . 11 HYP C 1 1
4 689 1 1 11 HYP CA C 0.223 16.770 -3.241 1.00 . A A . 11 HYP CA 1 1
4 690 1 1 11 HYP CB C 1.663 16.506 -2.792 1.00 . A A . 11 HYP CB 1 1
4 691 1 1 11 HYP CD C 0.460 14.473 -2.457 1.00 . A A . 11 HYP CD 1 1
4 692 1 1 11 HYP CG C 1.574 15.293 -1.931 1.00 . A A . 11 HYP CG 1 1
4 693 1 1 11 HYP HA H -0.226 17.512 -2.597 1.00 . A A . 11 HYP HA 1 1
4 694 1 1 11 HYP HB2 H 2.286 16.332 -3.658 1.00 . A A . 11 HYP HB2 1 1
4 695 1 1 11 HYP HB3 H 2.033 17.356 -2.239 1.00 . A A . 11 HYP HB3 1 1
4 696 1 1 11 HYP HD1 H 2.710 15.400 -0.321 1.00 . A A . 11 HYP HD1 1 1
4 697 1 1 11 HYP HD22 H 0.688 13.666 -3.138 1.00 . A A . 11 HYP HD22 1 1
4 698 1 1 11 HYP HD23 H 0.019 14.090 -1.549 1.00 . A A . 11 HYP HD23 1 1
4 699 1 1 11 HYP HG H 2.297 14.565 -2.267 1.00 . A A . 11 HYP HG 1 1
4 700 1 1 11 HYP N N -0.425 15.464 -3.092 1.00 . A A . 11 HYP N 1 1
4 701 1 1 11 HYP O O 0.392 18.457 -4.939 1.00 . A A . 11 HYP O 1 1
4 702 1 1 11 HYP OD1 O 1.805 15.620 -0.555 1.00 . A A . 11 HYP OD1 1 1
4 703 1 1 12 GLN C C -1.501 17.127 -7.437 1.00 . A A . 12 GLN C 1 1
4 704 1 1 12 GLN CA C -0.093 16.704 -7.031 1.00 . A A . 12 GLN CA 1 1
4 705 1 1 12 GLN CB C 0.364 15.521 -7.886 1.00 . A A . 12 GLN CB 1 1
4 706 1 1 12 GLN CD C 2.583 16.608 -8.413 1.00 . A A . 12 GLN CD 1 1
4 707 1 1 12 GLN CG C 1.874 15.355 -7.937 1.00 . A A . 12 GLN CG 1 1
4 708 1 1 12 GLN H H -0.189 15.425 -5.347 1.00 . A A . 12 GLN H 1 1
4 709 1 1 12 GLN HA H 0.579 17.533 -7.191 1.00 . A A . 12 GLN HA 1 1
4 710 1 1 12 GLN HB2 H -0.063 14.615 -7.483 1.00 . A A . 12 GLN HB2 1 1
4 711 1 1 12 GLN HB3 H 0.005 15.661 -8.895 1.00 . A A . 12 GLN HB3 1 1
4 712 1 1 12 GLN HE21 H 3.508 16.779 -6.661 1.00 . A A . 12 GLN HE21 1 1
4 713 1 1 12 GLN HE22 H 3.877 17.999 -7.827 1.00 . A A . 12 GLN HE22 1 1
4 714 1 1 12 GLN HG2 H 2.231 15.112 -6.947 1.00 . A A . 12 GLN HG2 1 1
4 715 1 1 12 GLN HG3 H 2.112 14.546 -8.612 1.00 . A A . 12 GLN HG3 1 1
4 716 1 1 12 GLN N N -0.043 16.355 -5.616 1.00 . A A . 12 GLN N 1 1
4 717 1 1 12 GLN NE2 N 3.405 17.188 -7.546 1.00 . A A . 12 GLN NE2 1 1
4 718 1 1 12 GLN O O -1.696 17.745 -8.483 1.00 . A A . 12 GLN O 1 1
4 719 1 1 12 GLN OE1 O 2.394 17.050 -9.546 1.00 . A A . 12 GLN OE1 1 1
4 720 1 1 13 . C C -4.015 18.650 -6.937 1.00 . A A . 13 DIV C 1 1
4 721 1 1 13 . CA C -3.869 17.133 -6.877 1.00 . A A . 13 DIV CA 1 1
4 722 1 1 13 . CB1 C -4.289 16.529 -8.213 1.00 . A A . 13 DIV CB1 1 1
4 723 1 1 13 . CB2 C -4.757 16.580 -5.767 1.00 . A A . 13 DIV CB2 1 1
4 724 1 1 13 . CG1 C -3.564 15.246 -8.556 1.00 . A A . 13 DIV CG1 1 1
4 725 1 1 13 . H H -2.260 16.296 -5.785 1.00 . A A . 13 DIV H 1 1
4 726 1 1 13 . HB11 H -4.103 17.243 -9.001 1.00 . A A . 13 DIV HB11 1 1
4 727 1 1 13 . HB12 H -5.349 16.322 -8.193 1.00 . A A . 13 DIV HB12 1 1
4 728 1 1 13 . HB21 H -5.659 16.172 -6.198 1.00 . A A . 13 DIV HB21 1 1
4 729 1 1 13 . HB22 H -5.013 17.375 -5.082 1.00 . A A . 13 DIV HB22 1 1
4 730 1 1 13 . HB23 H -4.228 15.803 -5.236 1.00 . A A . 13 DIV HB23 1 1
4 731 1 1 13 . HG11 H -3.441 14.652 -7.663 1.00 . A A . 13 DIV HG11 1 1
4 732 1 1 13 . HG12 H -2.593 15.481 -8.969 1.00 . A A . 13 DIV HG12 1 1
4 733 1 1 13 . HG13 H -4.139 14.691 -9.282 1.00 . A A . 13 DIV HG13 1 1
4 734 1 1 13 . N N -2.479 16.789 -6.604 1.00 . A A . 13 DIV N 1 1
4 735 1 1 13 . O O -4.566 19.208 -7.886 1.00 . A A . 13 DIV O 1 1
4 736 1 1 14 HYP C C -2.451 21.472 -6.597 1.00 . A A . 14 HYP C 1 1
4 737 1 1 14 HYP CA C -3.570 20.796 -5.812 1.00 . A A . 14 HYP CA 1 1
4 738 1 1 14 HYP CB C -3.412 21.068 -4.314 1.00 . A A . 14 HYP CB 1 1
4 739 1 1 14 HYP CD C -2.838 18.734 -4.735 1.00 . A A . 14 HYP CD 1 1
4 740 1 1 14 HYP CG C -2.706 19.868 -3.784 1.00 . A A . 14 HYP CG 1 1
4 741 1 1 14 HYP HA H -4.524 21.175 -6.149 1.00 . A A . 14 HYP HA 1 1
4 742 1 1 14 HYP HB2 H -2.830 21.967 -4.168 1.00 . A A . 14 HYP HB2 1 1
4 743 1 1 14 HYP HB3 H -4.385 21.185 -3.860 1.00 . A A . 14 HYP HB3 1 1
4 744 1 1 14 HYP HD1 H -3.504 18.761 -2.359 1.00 . A A . 14 HYP HD1 1 1
4 745 1 1 14 HYP HD22 H -1.880 18.320 -5.012 1.00 . A A . 14 HYP HD22 1 1
4 746 1 1 14 HYP HD23 H -3.461 17.978 -4.280 1.00 . A A . 14 HYP HD23 1 1
4 747 1 1 14 HYP HG H -1.639 20.020 -3.860 1.00 . A A . 14 HYP HG 1 1
4 748 1 1 14 HYP N N -3.509 19.335 -5.900 1.00 . A A . 14 HYP N 1 1
4 749 1 1 14 HYP O O -2.402 22.698 -6.695 1.00 . A A . 14 HYP O 1 1
4 750 1 1 14 HYP OD1 O -3.071 19.615 -2.421 1.00 . A A . 14 HYP OD1 1 1
4 751 1 1 15 ABA C C -0.965 22.073 -9.052 1.00 . A A . 15 AIB C 1 1
4 752 1 1 15 ABA CA C -0.436 21.185 -7.931 1.00 . A A . 15 AIB CA 1 1
4 753 1 1 15 ABA H H -1.647 19.696 -7.040 1.00 . A A . 15 AIB H 1 1
4 754 1 1 15 ABA N N -1.554 20.665 -7.154 1.00 . A A . 15 AIB N 1 1
4 755 1 1 15 ABA O O -0.610 23.246 -9.169 1.00 . A A . 15 AIB O 1 1
4 756 1 1 16 PRO C C -3.503 23.217 -10.576 1.00 . A A . 16 PRO C 1 1
4 757 1 1 16 PRO CA C -2.434 22.225 -11.024 1.00 . A A . 16 PRO CA 1 1
4 758 1 1 16 PRO CB C -3.059 21.111 -11.868 1.00 . A A . 16 PRO CB 1 1
4 759 1 1 16 PRO CD C -2.305 20.109 -9.818 1.00 . A A . 16 PRO CD 1 1
4 760 1 1 16 PRO CG C -3.331 20.011 -10.902 1.00 . A A . 16 PRO CG 1 1
4 761 1 1 16 PRO HA H -1.685 22.743 -11.606 1.00 . A A . 16 PRO HA 1 1
4 762 1 1 16 PRO HB2 H -3.970 21.471 -12.326 1.00 . A A . 16 PRO HB2 1 1
4 763 1 1 16 PRO HB3 H -2.363 20.801 -12.634 1.00 . A A . 16 PRO HB3 1 1
4 764 1 1 16 PRO HD2 H -2.769 19.912 -8.863 1.00 . A A . 16 PRO HD2 1 1
4 765 1 1 16 PRO HD3 H -1.494 19.419 -9.996 1.00 . A A . 16 PRO HD3 1 1
4 766 1 1 16 PRO HG2 H -4.318 20.127 -10.481 1.00 . A A . 16 PRO HG2 1 1
4 767 1 1 16 PRO HG3 H -3.244 19.056 -11.399 1.00 . A A . 16 PRO HG3 1 1
4 768 1 1 16 PRO N N -1.837 21.503 -9.897 1.00 . A A . 16 PRO N 1 1
4 769 1 1 16 PRO O O -3.975 24.035 -11.366 1.00 . A A . 16 PRO O 1 1
4 770 1 1 17 PHL C C -4.265 25.046 -7.803 1.00 . A A . 17 PHL C 1 1
4 771 1 1 17 PHL CA C -4.893 24.029 -8.752 1.00 . A A . 17 PHL CA 1 1
4 772 1 1 17 PHL CB C -5.964 23.223 -8.015 1.00 . A A . 17 PHL CB 1 1
4 773 1 1 17 PHL CD1 C -7.638 23.298 -9.883 1.00 . A A . 17 PHL CD1 1 1
4 774 1 1 17 PHL CD2 C -7.196 21.199 -8.842 1.00 . A A . 17 PHL CD2 1 1
4 775 1 1 17 PHL CE1 C -8.547 22.691 -10.729 1.00 . A A . 17 PHL CE1 1 1
4 776 1 1 17 PHL CE2 C -8.104 20.586 -9.685 1.00 . A A . 17 PHL CE2 1 1
4 777 1 1 17 PHL CG C -6.952 22.560 -8.932 1.00 . A A . 17 PHL CG 1 1
4 778 1 1 17 PHL CZ C -8.781 21.334 -10.629 1.00 . A A . 17 PHL CZ 1 1
4 779 1 1 17 PHL H H -3.467 22.465 -8.724 1.00 . A A . 17 PHL H 1 1
4 780 1 1 17 PHL HA H -5.353 24.557 -9.573 1.00 . A A . 17 PHL HA 1 1
4 781 1 1 17 PHL HB2 H -5.486 22.451 -7.431 1.00 . A A . 17 PHL HB2 1 1
4 782 1 1 17 PHL HB3 H -6.511 23.881 -7.356 1.00 . A A . 17 PHL HB3 1 1
4 783 1 1 17 PHL HC1 H -4.640 24.881 -6.804 1.00 . A A . 17 PHL HC1 1 1
4 784 1 1 17 PHL HC2 H -3.191 24.927 -7.814 1.00 . A A . 17 PHL HC2 1 1
4 785 1 1 17 PHL HD1 H -7.455 24.361 -9.962 1.00 . A A . 17 PHL HD1 1 1
4 786 1 1 17 PHL HD2 H -6.668 20.613 -8.104 1.00 . A A . 17 PHL HD2 1 1
4 787 1 1 17 PHL HE1 H -9.075 23.279 -11.466 1.00 . A A . 17 PHL HE1 1 1
4 788 1 1 17 PHL HE2 H -8.285 19.525 -9.605 1.00 . A A . 17 PHL HE2 1 1
4 789 1 1 17 PHL HO H -3.902 26.984 -7.885 1.00 . A A . 17 PHL HO 1 1
4 790 1 1 17 PHL HZ H -9.491 20.858 -11.289 1.00 . A A . 17 PHL HZ 1 1
4 791 1 1 17 PHL N N -3.880 23.139 -9.304 1.00 . A A . 17 PHL N 1 1
4 792 1 1 17 PHL O O -4.584 26.386 -8.200 1.00 . A A . 17 PHL O 1 1
5 793 1 1 1 ACE C C 1.516 0.950 -2.235 1.00 . A A . 1 ACE C 1 1
5 794 1 1 1 ACE CH3 C 2.108 -0.003 -1.217 1.00 . A A . 1 ACE CH3 1 1
5 795 1 1 1 ACE H1 H 1.411 -0.806 -1.026 1.00 . A A . 1 ACE H1 1 1
5 796 1 1 1 ACE H2 H 2.306 0.528 -0.297 1.00 . A A . 1 ACE H2 1 1
5 797 1 1 1 ACE H3 H 3.032 -0.413 -1.601 1.00 . A A . 1 ACE H3 1 1
5 798 1 1 1 ACE O O 1.793 2.150 -2.208 1.00 . A A . 1 ACE O 1 1
5 799 1 1 2 PHE C C -0.881 2.252 -3.558 1.00 . A A . 2 PHE C 1 1
5 800 1 1 2 PHE CA C 0.070 1.229 -4.173 1.00 . A A . 2 PHE CA 1 1
5 801 1 1 2 PHE CB C -0.690 0.339 -5.158 1.00 . A A . 2 PHE CB 1 1
5 802 1 1 2 PHE CD1 C -0.089 1.034 -7.493 1.00 . A A . 2 PHE CD1 1 1
5 803 1 1 2 PHE CD2 C -2.232 1.645 -6.645 1.00 . A A . 2 PHE CD2 1 1
5 804 1 1 2 PHE CE1 C -0.382 1.660 -8.690 1.00 . A A . 2 PHE CE1 1 1
5 805 1 1 2 PHE CE2 C -2.530 2.273 -7.840 1.00 . A A . 2 PHE CE2 1 1
5 806 1 1 2 PHE CG C -1.010 1.020 -6.458 1.00 . A A . 2 PHE CG 1 1
5 807 1 1 2 PHE CZ C -1.604 2.280 -8.864 1.00 . A A . 2 PHE CZ 1 1
5 808 1 1 2 PHE H H 0.518 -0.546 -3.109 1.00 . A A . 2 PHE H 1 1
5 809 1 1 2 PHE HA H 0.850 1.754 -4.703 1.00 . A A . 2 PHE HA 1 1
5 810 1 1 2 PHE HB2 H -0.092 -0.533 -5.379 1.00 . A A . 2 PHE HB2 1 1
5 811 1 1 2 PHE HB3 H -1.620 0.027 -4.707 1.00 . A A . 2 PHE HB3 1 1
5 812 1 1 2 PHE HD1 H 0.867 0.549 -7.359 1.00 . A A . 2 PHE HD1 1 1
5 813 1 1 2 PHE HD2 H -2.959 1.640 -5.844 1.00 . A A . 2 PHE HD2 1 1
5 814 1 1 2 PHE HE1 H 0.344 1.664 -9.489 1.00 . A A . 2 PHE HE1 1 1
5 815 1 1 2 PHE HE2 H -3.487 2.756 -7.972 1.00 . A A . 2 PHE HE2 1 1
5 816 1 1 2 PHE HZ H -1.834 2.770 -9.798 1.00 . A A . 2 PHE HZ 1 1
5 817 1 1 2 PHE N N 0.700 0.417 -3.139 1.00 . A A . 2 PHE N 1 1
5 818 1 1 2 PHE O O -0.759 3.453 -3.799 1.00 . A A . 2 PHE O 1 1
5 819 1 1 3 ABA C C -2.067 3.736 -1.348 1.00 . A A . 3 AIB C 1 1
5 820 1 1 3 ABA CA C -2.800 2.638 -2.111 1.00 . A A . 3 AIB CA 1 1
5 821 1 1 3 ABA H H -1.873 0.800 -2.607 1.00 . A A . 3 AIB H 1 1
5 822 1 1 3 ABA N N -1.828 1.767 -2.761 1.00 . A A . 3 AIB N 1 1
5 823 1 1 3 ABA O O -2.389 4.917 -1.480 1.00 . A A . 3 AIB O 1 1
5 824 1 1 4 ABA C C 0.424 5.248 -0.703 1.00 . A A . 4 AIB C 1 1
5 825 1 1 4 ABA CA C -0.304 4.291 0.235 1.00 . A A . 4 AIB CA 1 1
5 826 1 1 4 ABA H H -0.873 2.384 -0.487 1.00 . A A . 4 AIB H 1 1
5 827 1 1 4 ABA N N -1.082 3.340 -0.550 1.00 . A A . 4 AIB N 1 1
5 828 1 1 4 ABA O O 0.553 6.437 -0.414 1.00 . A A . 4 AIB O 1 1
5 829 1 1 5 ABA C C 0.745 6.714 -3.220 1.00 . A A . 5 AIB C 1 1
5 830 1 1 5 ABA CA C 1.612 5.529 -2.808 1.00 . A A . 5 AIB CA 1 1
5 831 1 1 5 ABA H H 0.763 3.767 -2.002 1.00 . A A . 5 AIB H 1 1
5 832 1 1 5 ABA N N 0.897 4.721 -1.828 1.00 . A A . 5 AIB N 1 1
5 833 1 1 5 ABA O O 1.255 7.789 -3.535 1.00 . A A . 5 AIB O 1 1
5 834 1 1 6 . C C -1.208 8.820 -2.778 1.00 . A A . 6 DIV C 1 1
5 835 1 1 6 . CA C -1.507 7.562 -3.586 1.00 . A A . 6 DIV CA 1 1
5 836 1 1 6 . CB1 C -1.363 7.868 -5.074 1.00 . A A . 6 DIV CB1 1 1
5 837 1 1 6 . CB2 C -2.931 7.099 -3.298 1.00 . A A . 6 DIV CB2 1 1
5 838 1 1 6 . CG1 C -1.359 6.635 -5.951 1.00 . A A . 6 DIV CG1 1 1
5 839 1 1 6 . H H -0.914 5.632 -2.953 1.00 . A A . 6 DIV H 1 1
5 840 1 1 6 . HB11 H -0.440 8.403 -5.240 1.00 . A A . 6 DIV HB11 1 1
5 841 1 1 6 . HB12 H -2.178 8.503 -5.388 1.00 . A A . 6 DIV HB12 1 1
5 842 1 1 6 . HB21 H -3.066 6.095 -3.674 1.00 . A A . 6 DIV HB21 1 1
5 843 1 1 6 . HB22 H -3.631 7.763 -3.783 1.00 . A A . 6 DIV HB22 1 1
5 844 1 1 6 . HB23 H -3.104 7.110 -2.232 1.00 . A A . 6 DIV HB23 1 1
5 845 1 1 6 . HG11 H -1.763 6.883 -6.922 1.00 . A A . 6 DIV HG11 1 1
5 846 1 1 6 . HG12 H -1.966 5.867 -5.495 1.00 . A A . 6 DIV HG12 1 1
5 847 1 1 6 . HG13 H -0.347 6.276 -6.063 1.00 . A A . 6 DIV HG13 1 1
5 848 1 1 6 . N N -0.568 6.510 -3.214 1.00 . A A . 6 DIV N 1 1
5 849 1 1 6 . O O -1.391 9.937 -3.258 1.00 . A A . 6 DIV O 1 1
5 850 1 1 7 GLY C C 0.513 10.743 -1.353 1.00 . A A . 7 GLY C 1 1
5 851 1 1 7 GLY CA C -0.429 9.758 -0.690 1.00 . A A . 7 GLY CA 1 1
5 852 1 1 7 GLY H H -0.619 7.715 -1.215 1.00 . A A . 7 GLY H 1 1
5 853 1 1 7 GLY HA2 H -1.344 10.269 -0.432 1.00 . A A . 7 GLY HA2 1 1
5 854 1 1 7 GLY HA3 H 0.033 9.390 0.215 1.00 . A A . 7 GLY HA3 1 1
5 855 1 1 7 GLY N N -0.745 8.630 -1.546 1.00 . A A . 7 GLY N 1 1
5 856 1 1 7 GLY O O 0.416 11.951 -1.134 1.00 . A A . 7 GLY O 1 1
5 857 1 1 8 LEU C C 1.738 11.799 -4.031 1.00 . A A . 8 LEU C 1 1
5 858 1 1 8 LEU CA C 2.395 11.069 -2.863 1.00 . A A . 8 LEU CA 1 1
5 859 1 1 8 LEU CB C 3.567 10.225 -3.368 1.00 . A A . 8 LEU CB 1 1
5 860 1 1 8 LEU CD1 C 5.674 8.983 -2.823 1.00 . A A . 8 LEU CD1 1 1
5 861 1 1 8 LEU CD2 C 4.432 10.186 -1.016 1.00 . A A . 8 LEU CD2 1 1
5 862 1 1 8 LEU CG C 4.304 9.401 -2.312 1.00 . A A . 8 LEU CG 1 1
5 863 1 1 8 LEU H H 1.458 9.257 -2.301 1.00 . A A . 8 LEU H 1 1
5 864 1 1 8 LEU HA H 2.765 11.800 -2.160 1.00 . A A . 8 LEU HA 1 1
5 865 1 1 8 LEU HB2 H 3.186 9.544 -4.113 1.00 . A A . 8 LEU HB2 1 1
5 866 1 1 8 LEU HB3 H 4.282 10.894 -3.826 1.00 . A A . 8 LEU HB3 1 1
5 867 1 1 8 LEU HD11 H 6.252 8.572 -2.009 1.00 . A A . 8 LEU HD11 1 1
5 868 1 1 8 LEU HD12 H 6.185 9.844 -3.228 1.00 . A A . 8 LEU HD12 1 1
5 869 1 1 8 LEU HD13 H 5.558 8.237 -3.595 1.00 . A A . 8 LEU HD13 1 1
5 870 1 1 8 LEU HD21 H 3.510 10.112 -0.458 1.00 . A A . 8 LEU HD21 1 1
5 871 1 1 8 LEU HD22 H 4.634 11.223 -1.242 1.00 . A A . 8 LEU HD22 1 1
5 872 1 1 8 LEU HD23 H 5.242 9.781 -0.428 1.00 . A A . 8 LEU HD23 1 1
5 873 1 1 8 LEU HG H 3.737 8.503 -2.106 1.00 . A A . 8 LEU HG 1 1
5 874 1 1 8 LEU N N 1.429 10.227 -2.166 1.00 . A A . 8 LEU N 1 1
5 875 1 1 8 LEU O O 2.191 12.866 -4.442 1.00 . A A . 8 LEU O 1 1
5 876 1 1 9 ABA C C -1.012 12.877 -5.155 1.00 . A A . 9 AIB C 1 1
5 877 1 1 9 ABA CA C -0.054 11.811 -5.677 1.00 . A A . 9 AIB CA 1 1
5 878 1 1 9 ABA H H 0.354 10.365 -4.187 1.00 . A A . 9 AIB H 1 1
5 879 1 1 9 ABA N N 0.667 11.216 -4.558 1.00 . A A . 9 AIB N 1 1
5 880 1 1 9 ABA O O -1.503 13.711 -5.915 1.00 . A A . 9 AIB O 1 1
5 881 1 1 10 ABA C C -1.651 15.218 -3.468 1.00 . A A . 10 AIB C 1 1
5 882 1 1 10 ABA CA C -2.173 13.806 -3.229 1.00 . A A . 10 AIB CA 1 1
5 883 1 1 10 ABA H H -0.852 12.154 -3.298 1.00 . A A . 10 AIB H 1 1
5 884 1 1 10 ABA N N -1.274 12.843 -3.852 1.00 . A A . 10 AIB N 1 1
5 885 1 1 10 ABA O O -2.353 16.087 -3.985 1.00 . A A . 10 AIB O 1 1
5 886 1 1 11 HYP C C 0.208 17.257 -4.687 1.00 . A A . 11 HYP C 1 1
5 887 1 1 11 HYP CA C 0.257 16.762 -3.246 1.00 . A A . 11 HYP CA 1 1
5 888 1 1 11 HYP CB C 1.703 16.499 -2.820 1.00 . A A . 11 HYP CB 1 1
5 889 1 1 11 HYP CD C 0.507 14.467 -2.459 1.00 . A A . 11 HYP CD 1 1
5 890 1 1 11 HYP CG C 1.629 15.289 -1.954 1.00 . A A . 11 HYP CG 1 1
5 891 1 1 11 HYP HA H -0.182 17.505 -2.596 1.00 . A A . 11 HYP HA 1 1
5 892 1 1 11 HYP HB2 H 2.313 16.323 -3.695 1.00 . A A . 11 HYP HB2 1 1
5 893 1 1 11 HYP HB3 H 2.083 17.350 -2.276 1.00 . A A . 11 HYP HB3 1 1
5 894 1 1 11 HYP HD1 H 1.424 15.042 -0.007 1.00 . A A . 11 HYP HD1 1 1
5 895 1 1 11 HYP HD22 H 0.724 13.658 -3.141 1.00 . A A . 11 HYP HD22 1 1
5 896 1 1 11 HYP HD23 H 0.081 14.086 -1.543 1.00 . A A . 11 HYP HD23 1 1
5 897 1 1 11 HYP HG H 2.321 14.545 -2.322 1.00 . A A . 11 HYP HG 1 1
5 898 1 1 11 HYP N N -0.388 15.456 -3.083 1.00 . A A . 11 HYP N 1 1
5 899 1 1 11 HYP O O 0.397 18.444 -4.951 1.00 . A A . 11 HYP O 1 1
5 900 1 1 11 HYP OD1 O 1.930 15.611 -0.591 1.00 . A A . 11 HYP OD1 1 1
5 901 1 1 12 GLN C C -1.536 17.106 -7.414 1.00 . A A . 12 GLN C 1 1
5 902 1 1 12 GLN CA C -0.122 16.685 -7.029 1.00 . A A . 12 GLN CA 1 1
5 903 1 1 12 GLN CB C 0.321 15.499 -7.889 1.00 . A A . 12 GLN CB 1 1
5 904 1 1 12 GLN CD C 2.527 16.568 -8.503 1.00 . A A . 12 GLN CD 1 1
5 905 1 1 12 GLN CG C 1.830 15.333 -7.964 1.00 . A A . 12 GLN CG 1 1
5 906 1 1 12 GLN H H -0.190 15.410 -5.341 1.00 . A A . 12 GLN H 1 1
5 907 1 1 12 GLN HA H 0.547 17.514 -7.203 1.00 . A A . 12 GLN HA 1 1
5 908 1 1 12 GLN HB2 H -0.099 14.594 -7.476 1.00 . A A . 12 GLN HB2 1 1
5 909 1 1 12 GLN HB3 H -0.055 15.637 -8.892 1.00 . A A . 12 GLN HB3 1 1
5 910 1 1 12 GLN HE21 H 3.217 16.999 -6.689 1.00 . A A . 12 GLN HE21 1 1
5 911 1 1 12 GLN HE22 H 3.665 18.099 -7.944 1.00 . A A . 12 GLN HE22 1 1
5 912 1 1 12 GLN HG2 H 2.208 15.130 -6.973 1.00 . A A . 12 GLN HG2 1 1
5 913 1 1 12 GLN HG3 H 2.055 14.499 -8.612 1.00 . A A . 12 GLN HG3 1 1
5 914 1 1 12 GLN N N -0.048 16.340 -5.614 1.00 . A A . 12 GLN N 1 1
5 915 1 1 12 GLN NE2 N 3.204 17.296 -7.624 1.00 . A A . 12 GLN NE2 1 1
5 916 1 1 12 GLN O O -1.749 17.721 -8.458 1.00 . A A . 12 GLN O 1 1
5 917 1 1 12 GLN OE1 O 2.457 16.863 -9.696 1.00 . A A . 12 GLN OE1 1 1
5 918 1 1 13 . C C -4.042 18.630 -6.876 1.00 . A A . 13 DIV C 1 1
5 919 1 1 13 . CA C -3.895 17.114 -6.814 1.00 . A A . 13 DIV CA 1 1
5 920 1 1 13 . CB1 C -4.337 16.506 -8.141 1.00 . A A . 13 DIV CB1 1 1
5 921 1 1 13 . CB2 C -4.765 16.564 -5.689 1.00 . A A . 13 DIV CB2 1 1
5 922 1 1 13 . CG1 C -3.617 15.222 -8.493 1.00 . A A . 13 DIV CG1 1 1
5 923 1 1 13 . H H -2.269 16.280 -5.747 1.00 . A A . 13 DIV H 1 1
5 924 1 1 13 . HB11 H -4.164 17.217 -8.935 1.00 . A A . 13 DIV HB11 1 1
5 925 1 1 13 . HB12 H -5.396 16.298 -8.103 1.00 . A A . 13 DIV HB12 1 1
5 926 1 1 13 . HB21 H -4.227 15.789 -5.164 1.00 . A A . 13 DIV HB21 1 1
5 927 1 1 13 . HB22 H -5.674 16.154 -6.103 1.00 . A A . 13 DIV HB22 1 1
5 928 1 1 13 . HB23 H -5.010 17.361 -5.001 1.00 . A A . 13 DIV HB23 1 1
5 929 1 1 13 . HG11 H -4.204 14.665 -9.208 1.00 . A A . 13 DIV HG11 1 1
5 930 1 1 13 . HG12 H -3.480 14.630 -7.601 1.00 . A A . 13 DIV HG12 1 1
5 931 1 1 13 . HG13 H -2.654 15.456 -8.922 1.00 . A A . 13 DIV HG13 1 1
5 932 1 1 13 . N N -2.501 16.770 -6.563 1.00 . A A . 13 DIV N 1 1
5 933 1 1 13 . O O -4.609 19.186 -7.817 1.00 . A A . 13 DIV O 1 1
5 934 1 1 14 HYP C C -2.474 21.454 -6.570 1.00 . A A . 14 HYP C 1 1
5 935 1 1 14 HYP CA C -3.579 20.780 -5.765 1.00 . A A . 14 HYP CA 1 1
5 936 1 1 14 HYP CB C -3.396 21.056 -4.270 1.00 . A A . 14 HYP CB 1 1
5 937 1 1 14 HYP CD C -2.829 18.721 -4.694 1.00 . A A . 14 HYP CD 1 1
5 938 1 1 14 HYP CG C -2.681 19.858 -3.749 1.00 . A A . 14 HYP CG 1 1
5 939 1 1 14 HYP HA H -4.539 21.157 -6.087 1.00 . A A . 14 HYP HA 1 1
5 940 1 1 14 HYP HB2 H -2.812 21.956 -4.137 1.00 . A A . 14 HYP HB2 1 1
5 941 1 1 14 HYP HB3 H -4.361 21.175 -3.801 1.00 . A A . 14 HYP HB3 1 1
5 942 1 1 14 HYP HD1 H -2.297 19.731 -1.817 1.00 . A A . 14 HYP HD1 1 1
5 943 1 1 14 HYP HD22 H -1.876 18.306 -4.986 1.00 . A A . 14 HYP HD22 1 1
5 944 1 1 14 HYP HD23 H -3.444 17.966 -4.227 1.00 . A A . 14 HYP HD23 1 1
5 945 1 1 14 HYP HG H -1.615 20.022 -3.817 1.00 . A A . 14 HYP HG 1 1
5 946 1 1 14 HYP N N -3.519 19.318 -5.850 1.00 . A A . 14 HYP N 1 1
5 947 1 1 14 HYP O O -2.427 22.679 -6.674 1.00 . A A . 14 HYP O 1 1
5 948 1 1 14 HYP OD1 O -3.052 19.587 -2.392 1.00 . A A . 14 HYP OD1 1 1
5 949 1 1 15 ABA C C -1.029 22.048 -9.051 1.00 . A A . 15 AIB C 1 1
5 950 1 1 15 ABA CA C -0.480 21.163 -7.936 1.00 . A A . 15 AIB CA 1 1
5 951 1 1 15 ABA H H -1.676 19.677 -7.020 1.00 . A A . 15 AIB H 1 1
5 952 1 1 15 ABA N N -1.586 20.645 -7.139 1.00 . A A . 15 AIB N 1 1
5 953 1 1 15 ABA O O -0.675 23.221 -9.177 1.00 . A A . 15 AIB O 1 1
5 954 1 1 16 PRO C C -3.591 23.187 -10.536 1.00 . A A . 16 PRO C 1 1
5 955 1 1 16 PRO CA C -2.530 22.195 -10.999 1.00 . A A . 16 PRO CA 1 1
5 956 1 1 16 PRO CB C -3.169 21.078 -11.829 1.00 . A A . 16 PRO CB 1 1
5 957 1 1 16 PRO CD C -2.381 20.082 -9.789 1.00 . A A . 16 PRO CD 1 1
5 958 1 1 16 PRO CG C -3.424 19.981 -10.855 1.00 . A A . 16 PRO CG 1 1
5 959 1 1 16 PRO HA H -1.791 22.711 -11.594 1.00 . A A . 16 PRO HA 1 1
5 960 1 1 16 PRO HB2 H -4.087 21.437 -12.273 1.00 . A A . 16 PRO HB2 1 1
5 961 1 1 16 PRO HB3 H -2.486 20.766 -12.605 1.00 . A A . 16 PRO HB3 1 1
5 962 1 1 16 PRO HD2 H -2.828 19.887 -8.826 1.00 . A A . 16 PRO HD2 1 1
5 963 1 1 16 PRO HD3 H -1.572 19.392 -9.979 1.00 . A A . 16 PRO HD3 1 1
5 964 1 1 16 PRO HG2 H -4.404 20.098 -10.418 1.00 . A A . 16 PRO HG2 1 1
5 965 1 1 16 PRO HG3 H -3.345 19.025 -11.351 1.00 . A A . 16 PRO HG3 1 1
5 966 1 1 16 PRO N N -1.914 21.476 -9.880 1.00 . A A . 16 PRO N 1 1
5 967 1 1 16 PRO O O -4.075 24.005 -11.319 1.00 . A A . 16 PRO O 1 1
5 968 1 1 17 PHL C C -4.372 24.809 -7.532 1.00 . A A . 17 PHL C 1 1
5 969 1 1 17 PHL CA C -4.952 24.004 -8.691 1.00 . A A . 17 PHL CA 1 1
5 970 1 1 17 PHL CB C -6.165 23.203 -8.213 1.00 . A A . 17 PHL CB 1 1
5 971 1 1 17 PHL CD1 C -6.749 22.095 -10.388 1.00 . A A . 17 PHL CD1 1 1
5 972 1 1 17 PHL CD2 C -8.439 23.348 -9.265 1.00 . A A . 17 PHL CD2 1 1
5 973 1 1 17 PHL CE1 C -7.642 21.792 -11.399 1.00 . A A . 17 PHL CE1 1 1
5 974 1 1 17 PHL CE2 C -9.335 23.048 -10.273 1.00 . A A . 17 PHL CE2 1 1
5 975 1 1 17 PHL CG C -7.137 22.875 -9.311 1.00 . A A . 17 PHL CG 1 1
5 976 1 1 17 PHL CZ C -8.936 22.270 -11.342 1.00 . A A . 17 PHL CZ 1 1
5 977 1 1 17 PHL H H -3.526 22.439 -8.683 1.00 . A A . 17 PHL H 1 1
5 978 1 1 17 PHL HA H -5.265 24.686 -9.467 1.00 . A A . 17 PHL HA 1 1
5 979 1 1 17 PHL HB2 H -5.827 22.273 -7.782 1.00 . A A . 17 PHL HB2 1 1
5 980 1 1 17 PHL HB3 H -6.691 23.773 -7.462 1.00 . A A . 17 PHL HB3 1 1
5 981 1 1 17 PHL HC1 H -4.964 25.700 -7.386 1.00 . A A . 17 PHL HC1 1 1
5 982 1 1 17 PHL HC2 H -4.392 24.207 -6.635 1.00 . A A . 17 PHL HC2 1 1
5 983 1 1 17 PHL HD1 H -5.736 21.721 -10.434 1.00 . A A . 17 PHL HD1 1 1
5 984 1 1 17 PHL HD2 H -8.753 23.958 -8.430 1.00 . A A . 17 PHL HD2 1 1
5 985 1 1 17 PHL HE1 H -7.326 21.183 -12.233 1.00 . A A . 17 PHL HE1 1 1
5 986 1 1 17 PHL HE2 H -10.347 23.423 -10.226 1.00 . A A . 17 PHL HE2 1 1
5 987 1 1 17 PHL HO H -2.491 25.083 -7.005 1.00 . A A . 17 PHL HO 1 1
5 988 1 1 17 PHL HZ H -9.635 22.033 -12.130 1.00 . A A . 17 PHL HZ 1 1
5 989 1 1 17 PHL N N -3.948 23.112 -9.258 1.00 . A A . 17 PHL N 1 1
5 990 1 1 17 PHL O O -3.018 25.194 -7.799 1.00 . A A . 17 PHL O 1 1
6 991 1 1 1 ACE C C 1.496 0.934 -2.248 1.00 . A A . 1 ACE C 1 1
6 992 1 1 1 ACE CH3 C 2.095 -0.022 -1.236 1.00 . A A . 1 ACE CH3 1 1
6 993 1 1 1 ACE H1 H 2.385 -0.936 -1.732 1.00 . A A . 1 ACE H1 1 1
6 994 1 1 1 ACE H2 H 1.364 -0.243 -0.472 1.00 . A A . 1 ACE H2 1 1
6 995 1 1 1 ACE H3 H 2.964 0.432 -0.782 1.00 . A A . 1 ACE H3 1 1
6 996 1 1 1 ACE O O 1.778 2.132 -2.224 1.00 . A A . 1 ACE O 1 1
6 997 1 1 2 PHE C C -0.911 2.247 -3.542 1.00 . A A . 2 PHE C 1 1
6 998 1 1 2 PHE CA C 0.028 1.220 -4.169 1.00 . A A . 2 PHE CA 1 1
6 999 1 1 2 PHE CB C -0.747 0.332 -5.145 1.00 . A A . 2 PHE CB 1 1
6 1000 1 1 2 PHE CD1 C -0.144 1.137 -7.444 1.00 . A A . 2 PHE CD1 1 1
6 1001 1 1 2 PHE CD2 C -2.354 1.544 -6.644 1.00 . A A . 2 PHE CD2 1 1
6 1002 1 1 2 PHE CE1 C -0.456 1.769 -8.633 1.00 . A A . 2 PHE CE1 1 1
6 1003 1 1 2 PHE CE2 C -2.671 2.176 -7.832 1.00 . A A . 2 PHE CE2 1 1
6 1004 1 1 2 PHE CG C -1.088 1.018 -6.437 1.00 . A A . 2 PHE CG 1 1
6 1005 1 1 2 PHE CZ C -1.721 2.288 -8.828 1.00 . A A . 2 PHE CZ 1 1
6 1006 1 1 2 PHE H H 0.481 -0.557 -3.110 1.00 . A A . 2 PHE H 1 1
6 1007 1 1 2 PHE HA H 0.804 1.741 -4.707 1.00 . A A . 2 PHE HA 1 1
6 1008 1 1 2 PHE HB2 H -0.152 -0.538 -5.379 1.00 . A A . 2 PHE HB2 1 1
6 1009 1 1 2 PHE HB3 H -1.669 0.019 -4.680 1.00 . A A . 2 PHE HB3 1 1
6 1010 1 1 2 PHE HD1 H 0.845 0.731 -7.294 1.00 . A A . 2 PHE HD1 1 1
6 1011 1 1 2 PHE HD2 H -3.098 1.456 -5.865 1.00 . A A . 2 PHE HD2 1 1
6 1012 1 1 2 PHE HE1 H 0.289 1.855 -9.411 1.00 . A A . 2 PHE HE1 1 1
6 1013 1 1 2 PHE HE2 H -3.661 2.580 -7.980 1.00 . A A . 2 PHE HE2 1 1
6 1014 1 1 2 PHE HZ H -1.967 2.782 -9.756 1.00 . A A . 2 PHE HZ 1 1
6 1015 1 1 2 PHE N N 0.667 0.405 -3.142 1.00 . A A . 2 PHE N 1 1
6 1016 1 1 2 PHE O O -0.787 3.447 -3.786 1.00 . A A . 2 PHE O 1 1
6 1017 1 1 3 ABA C C -2.065 3.736 -1.319 1.00 . A A . 3 AIB C 1 1
6 1018 1 1 3 ABA CA C -2.811 2.641 -2.074 1.00 . A A . 3 AIB CA 1 1
6 1019 1 1 3 ABA H H -1.899 0.799 -2.580 1.00 . A A . 3 AIB H 1 1
6 1020 1 1 3 ABA N N -1.850 1.766 -2.735 1.00 . A A . 3 AIB N 1 1
6 1021 1 1 3 ABA O O -2.383 4.918 -1.447 1.00 . A A . 3 AIB O 1 1
6 1022 1 1 4 ABA C C 0.440 5.237 -0.703 1.00 . A A . 4 AIB C 1 1
6 1023 1 1 4 ABA CA C -0.281 4.283 0.243 1.00 . A A . 4 AIB CA 1 1
6 1024 1 1 4 ABA H H -0.867 2.379 -0.472 1.00 . A A . 4 AIB H 1 1
6 1025 1 1 4 ABA N N -1.072 3.335 -0.532 1.00 . A A . 4 AIB N 1 1
6 1026 1 1 4 ABA O O 0.577 6.426 -0.415 1.00 . A A . 4 AIB O 1 1
6 1027 1 1 5 ABA C C 0.739 6.702 -3.222 1.00 . A A . 5 AIB C 1 1
6 1028 1 1 5 ABA CA C 1.605 5.513 -2.821 1.00 . A A . 5 AIB CA 1 1
6 1029 1 1 5 ABA H H 0.758 3.754 -2.005 1.00 . A A . 5 AIB H 1 1
6 1030 1 1 5 ABA N N 0.898 4.708 -1.832 1.00 . A A . 5 AIB N 1 1
6 1031 1 1 5 ABA O O 1.250 7.774 -3.544 1.00 . A A . 5 AIB O 1 1
6 1032 1 1 6 . C C -1.199 8.816 -2.758 1.00 . A A . 6 DIV C 1 1
6 1033 1 1 6 . CA C -1.513 7.560 -3.563 1.00 . A A . 6 DIV CA 1 1
6 1034 1 1 6 . CB1 C -1.385 7.865 -5.052 1.00 . A A . 6 DIV CB1 1 1
6 1035 1 1 6 . CB2 C -2.936 7.102 -3.259 1.00 . A A . 6 DIV CB2 1 1
6 1036 1 1 6 . CG1 C -1.396 6.633 -5.930 1.00 . A A . 6 DIV CG1 1 1
6 1037 1 1 6 . H H -0.922 5.626 -2.937 1.00 . A A . 6 DIV H 1 1
6 1038 1 1 6 . HB11 H -0.461 8.396 -5.229 1.00 . A A . 6 DIV HB11 1 1
6 1039 1 1 6 . HB12 H -2.201 8.503 -5.357 1.00 . A A . 6 DIV HB12 1 1
6 1040 1 1 6 . HB21 H -3.636 7.719 -3.802 1.00 . A A . 6 DIV HB21 1 1
6 1041 1 1 6 . HB22 H -3.123 7.192 -2.199 1.00 . A A . 6 DIV HB22 1 1
6 1042 1 1 6 . HB23 H -3.055 6.072 -3.560 1.00 . A A . 6 DIV HB23 1 1
6 1043 1 1 6 . HG11 H -1.616 5.763 -5.327 1.00 . A A . 6 DIV HG11 1 1
6 1044 1 1 6 . HG12 H -0.429 6.513 -6.395 1.00 . A A . 6 DIV HG12 1 1
6 1045 1 1 6 . HG13 H -2.152 6.741 -6.693 1.00 . A A . 6 DIV HG13 1 1
6 1046 1 1 6 . N N -0.575 6.504 -3.202 1.00 . A A . 6 DIV N 1 1
6 1047 1 1 6 . O O -1.383 9.934 -3.236 1.00 . A A . 6 DIV O 1 1
6 1048 1 1 7 GLY C C 0.546 10.731 -1.353 1.00 . A A . 7 GLY C 1 1
6 1049 1 1 7 GLY CA C -0.392 9.750 -0.679 1.00 . A A . 7 GLY CA 1 1
6 1050 1 1 7 GLY H H -0.597 7.709 -1.202 1.00 . A A . 7 GLY H 1 1
6 1051 1 1 7 GLY HA2 H -1.303 10.265 -0.411 1.00 . A A . 7 GLY HA2 1 1
6 1052 1 1 7 GLY HA3 H 0.078 9.380 0.220 1.00 . A A . 7 GLY HA3 1 1
6 1053 1 1 7 GLY N N -0.724 8.623 -1.531 1.00 . A A . 7 GLY N 1 1
6 1054 1 1 7 GLY O O 0.457 11.939 -1.133 1.00 . A A . 7 GLY O 1 1
6 1055 1 1 8 LEU C C 1.745 11.782 -4.044 1.00 . A A . 8 LEU C 1 1
6 1056 1 1 8 LEU CA C 2.412 11.050 -2.884 1.00 . A A . 8 LEU CA 1 1
6 1057 1 1 8 LEU CB C 3.574 10.201 -3.403 1.00 . A A . 8 LEU CB 1 1
6 1058 1 1 8 LEU CD1 C 5.682 8.949 -2.882 1.00 . A A . 8 LEU CD1 1 1
6 1059 1 1 8 LEU CD2 C 4.466 10.157 -1.060 1.00 . A A . 8 LEU CD2 1 1
6 1060 1 1 8 LEU CG C 4.319 9.372 -2.356 1.00 . A A . 8 LEU CG 1 1
6 1061 1 1 8 LEU H H 1.473 9.241 -2.312 1.00 . A A . 8 LEU H 1 1
6 1062 1 1 8 LEU HA H 2.793 11.779 -2.185 1.00 . A A . 8 LEU HA 1 1
6 1063 1 1 8 LEU HB2 H 3.182 9.522 -4.144 1.00 . A A . 8 LEU HB2 1 1
6 1064 1 1 8 LEU HB3 H 4.287 10.867 -3.868 1.00 . A A . 8 LEU HB3 1 1
6 1065 1 1 8 LEU HD11 H 6.266 8.534 -2.075 1.00 . A A . 8 LEU HD11 1 1
6 1066 1 1 8 LEU HD12 H 6.193 9.809 -3.291 1.00 . A A . 8 LEU HD12 1 1
6 1067 1 1 8 LEU HD13 H 5.555 8.205 -3.655 1.00 . A A . 8 LEU HD13 1 1
6 1068 1 1 8 LEU HD21 H 3.537 10.117 -0.509 1.00 . A A . 8 LEU HD21 1 1
6 1069 1 1 8 LEU HD22 H 4.705 11.185 -1.287 1.00 . A A . 8 LEU HD22 1 1
6 1070 1 1 8 LEU HD23 H 5.256 9.725 -0.465 1.00 . A A . 8 LEU HD23 1 1
6 1071 1 1 8 LEU HG H 3.751 8.477 -2.144 1.00 . A A . 8 LEU HG 1 1
6 1072 1 1 8 LEU N N 1.451 10.211 -2.176 1.00 . A A . 8 LEU N 1 1
6 1073 1 1 8 LEU O O 2.198 12.848 -4.461 1.00 . A A . 8 LEU O 1 1
6 1074 1 1 9 ABA C C -1.014 12.872 -5.137 1.00 . A A . 9 AIB C 1 1
6 1075 1 1 9 ABA CA C -0.066 11.803 -5.670 1.00 . A A . 9 AIB CA 1 1
6 1076 1 1 9 ABA H H 0.353 10.354 -4.185 1.00 . A A . 9 AIB H 1 1
6 1077 1 1 9 ABA N N 0.665 11.204 -4.560 1.00 . A A . 9 AIB N 1 1
6 1078 1 1 9 ABA O O -1.510 13.707 -5.892 1.00 . A A . 9 AIB O 1 1
6 1079 1 1 10 ABA C C -1.624 15.216 -3.442 1.00 . A A . 10 AIB C 1 1
6 1080 1 1 10 ABA CA C -2.149 13.805 -3.197 1.00 . A A . 10 AIB CA 1 1
6 1081 1 1 10 ABA H H -0.835 12.148 -3.282 1.00 . A A . 10 AIB H 1 1
6 1082 1 1 10 ABA N N -1.261 12.839 -3.831 1.00 . A A . 10 AIB N 1 1
6 1083 1 1 10 ABA O O -2.329 16.087 -3.951 1.00 . A A . 10 AIB O 1 1
6 1084 1 1 11 HYP C C 0.228 17.247 -4.682 1.00 . A A . 11 HYP C 1 1
6 1085 1 1 11 HYP CA C 0.292 16.752 -3.242 1.00 . A A . 11 HYP CA 1 1
6 1086 1 1 11 HYP CB C 1.743 16.483 -2.833 1.00 . A A . 11 HYP CB 1 1
6 1087 1 1 11 HYP CD C 0.543 14.455 -2.459 1.00 . A A . 11 HYP CD 1 1
6 1088 1 1 11 HYP CG C 1.674 15.273 -1.966 1.00 . A A . 11 HYP CG 1 1
6 1089 1 1 11 HYP HA H -0.136 17.496 -2.587 1.00 . A A . 11 HYP HA 1 1
6 1090 1 1 11 HYP HB2 H 2.341 16.304 -3.715 1.00 . A A . 11 HYP HB2 1 1
6 1091 1 1 11 HYP HB3 H 2.132 17.333 -2.293 1.00 . A A . 11 HYP HB3 1 1
6 1092 1 1 11 HYP HD1 H 1.590 16.466 -0.398 1.00 . A A . 11 HYP HD1 1 1
6 1093 1 1 11 HYP HD22 H 0.748 13.646 -3.143 1.00 . A A . 11 HYP HD22 1 1
6 1094 1 1 11 HYP HD23 H 0.126 14.076 -1.537 1.00 . A A . 11 HYP HD23 1 1
6 1095 1 1 11 HYP HG H 2.380 14.538 -2.324 1.00 . A A . 11 HYP HG 1 1
6 1096 1 1 11 HYP N N -0.356 15.448 -3.072 1.00 . A A . 11 HYP N 1 1
6 1097 1 1 11 HYP O O 0.420 18.433 -4.949 1.00 . A A . 11 HYP O 1 1
6 1098 1 1 11 HYP OD1 O 1.953 15.601 -0.600 1.00 . A A . 11 HYP OD1 1 1
6 1099 1 1 12 GLN C C -1.547 17.103 -7.389 1.00 . A A . 12 GLN C 1 1
6 1100 1 1 12 GLN CA C -0.130 16.676 -7.021 1.00 . A A . 12 GLN CA 1 1
6 1101 1 1 12 GLN CB C 0.298 15.490 -7.885 1.00 . A A . 12 GLN CB 1 1
6 1102 1 1 12 GLN CD C 2.503 16.558 -8.502 1.00 . A A . 12 GLN CD 1 1
6 1103 1 1 12 GLN CG C 1.806 15.318 -7.978 1.00 . A A . 12 GLN CG 1 1
6 1104 1 1 12 GLN H H -0.184 15.402 -5.332 1.00 . A A . 12 GLN H 1 1
6 1105 1 1 12 GLN HA H 0.540 17.503 -7.203 1.00 . A A . 12 GLN HA 1 1
6 1106 1 1 12 GLN HB2 H -0.121 14.586 -7.468 1.00 . A A . 12 GLN HB2 1 1
6 1107 1 1 12 GLN HB3 H -0.089 15.629 -8.884 1.00 . A A . 12 GLN HB3 1 1
6 1108 1 1 12 GLN HE21 H 3.000 17.090 -6.652 1.00 . A A . 12 GLN HE21 1 1
6 1109 1 1 12 GLN HE22 H 3.523 18.156 -7.906 1.00 . A A . 12 GLN HE22 1 1
6 1110 1 1 12 GLN HG2 H 2.192 15.096 -6.995 1.00 . A A . 12 GLN HG2 1 1
6 1111 1 1 12 GLN HG3 H 2.021 14.494 -8.643 1.00 . A A . 12 GLN HG3 1 1
6 1112 1 1 12 GLN N N -0.042 16.331 -5.607 1.00 . A A . 12 GLN N 1 1
6 1113 1 1 12 GLN NE2 N 3.065 17.349 -7.596 1.00 . A A . 12 GLN NE2 1 1
6 1114 1 1 12 GLN O O -1.769 17.720 -8.431 1.00 . A A . 12 GLN O 1 1
6 1115 1 1 12 GLN OE1 O 2.536 16.802 -9.709 1.00 . A A . 12 GLN OE1 1 1
6 1116 1 1 13 . C C -4.041 18.638 -6.822 1.00 . A A . 13 DIV C 1 1
6 1117 1 1 13 . CA C -3.899 17.120 -6.762 1.00 . A A . 13 DIV CA 1 1
6 1118 1 1 13 . CB1 C -4.359 16.514 -8.084 1.00 . A A . 13 DIV CB1 1 1
6 1119 1 1 13 . CB2 C -4.758 16.574 -5.627 1.00 . A A . 13 DIV CB2 1 1
6 1120 1 1 13 . CG1 C -3.648 15.228 -8.445 1.00 . A A . 13 DIV CG1 1 1
6 1121 1 1 13 . H H -2.264 16.280 -5.714 1.00 . A A . 13 DIV H 1 1
6 1122 1 1 13 . HB11 H -4.192 17.226 -8.880 1.00 . A A . 13 DIV HB11 1 1
6 1123 1 1 13 . HB12 H -5.418 16.311 -8.034 1.00 . A A . 13 DIV HB12 1 1
6 1124 1 1 13 . HB21 H -5.673 16.167 -6.031 1.00 . A A . 13 DIV HB21 1 1
6 1125 1 1 13 . HB22 H -4.992 17.371 -4.937 1.00 . A A . 13 DIV HB22 1 1
6 1126 1 1 13 . HB23 H -4.217 15.796 -5.108 1.00 . A A . 13 DIV HB23 1 1
6 1127 1 1 13 . HG11 H -2.689 15.458 -8.885 1.00 . A A . 13 DIV HG11 1 1
6 1128 1 1 13 . HG12 H -4.245 14.673 -9.153 1.00 . A A . 13 DIV HG12 1 1
6 1129 1 1 13 . HG13 H -3.502 14.636 -7.554 1.00 . A A . 13 DIV HG13 1 1
6 1130 1 1 13 . N N -2.503 16.771 -6.527 1.00 . A A . 13 DIV N 1 1
6 1131 1 1 13 . O O -4.616 19.195 -7.757 1.00 . A A . 13 DIV O 1 1
6 1132 1 1 14 HYP C C -2.458 21.455 -6.533 1.00 . A A . 14 HYP C 1 1
6 1133 1 1 14 HYP CA C -3.557 20.785 -5.716 1.00 . A A . 14 HYP CA 1 1
6 1134 1 1 14 HYP CB C -3.356 21.060 -4.223 1.00 . A A . 14 HYP CB 1 1
6 1135 1 1 14 HYP CD C -2.803 18.723 -4.654 1.00 . A A . 14 HYP CD 1 1
6 1136 1 1 14 HYP CG C -2.640 19.859 -3.710 1.00 . A A . 14 HYP CG 1 1
6 1137 1 1 14 HYP HA H -4.519 21.166 -6.027 1.00 . A A . 14 HYP HA 1 1
6 1138 1 1 14 HYP HB2 H -2.766 21.957 -4.096 1.00 . A A . 14 HYP HB2 1 1
6 1139 1 1 14 HYP HB3 H -4.315 21.182 -3.744 1.00 . A A . 14 HYP HB3 1 1
6 1140 1 1 14 HYP HD1 H -2.714 19.767 -1.740 1.00 . A A . 14 HYP HD1 1 1
6 1141 1 1 14 HYP HD22 H -1.854 18.305 -4.957 1.00 . A A . 14 HYP HD22 1 1
6 1142 1 1 14 HYP HD23 H -3.415 17.971 -4.180 1.00 . A A . 14 HYP HD23 1 1
6 1143 1 1 14 HYP HG H -1.596 20.100 -3.569 1.00 . A A . 14 HYP HG 1 1
6 1144 1 1 14 HYP N N -3.504 19.323 -5.802 1.00 . A A . 14 HYP N 1 1
6 1145 1 1 14 HYP O O -2.407 22.680 -6.637 1.00 . A A . 14 HYP O 1 1
6 1146 1 1 14 HYP OD1 O -3.212 19.406 -2.477 1.00 . A A . 14 HYP OD1 1 1
6 1147 1 1 15 ABA C C -1.039 22.044 -9.031 1.00 . A A . 15 AIB C 1 1
6 1148 1 1 15 ABA CA C -0.482 21.157 -7.923 1.00 . A A . 15 AIB CA 1 1
6 1149 1 1 15 ABA H H -1.674 19.675 -6.994 1.00 . A A . 15 AIB H 1 1
6 1150 1 1 15 ABA N N -1.580 20.643 -7.114 1.00 . A A . 15 AIB N 1 1
6 1151 1 1 15 ABA O O -0.683 23.215 -9.161 1.00 . A A . 15 AIB O 1 1
6 1152 1 1 16 PRO C C -3.615 23.192 -10.487 1.00 . A A . 16 PRO C 1 1
6 1153 1 1 16 PRO CA C -2.562 22.196 -10.962 1.00 . A A . 16 PRO CA 1 1
6 1154 1 1 16 PRO CB C -3.213 21.082 -11.786 1.00 . A A . 16 PRO CB 1 1
6 1155 1 1 16 PRO CD C -2.407 20.083 -9.754 1.00 . A A . 16 PRO CD 1 1
6 1156 1 1 16 PRO CG C -3.462 19.985 -10.810 1.00 . A A . 16 PRO CG 1 1
6 1157 1 1 16 PRO HA H -1.828 22.710 -11.565 1.00 . A A . 16 PRO HA 1 1
6 1158 1 1 16 PRO HB2 H -4.135 21.444 -12.220 1.00 . A A . 16 PRO HB2 1 1
6 1159 1 1 16 PRO HB3 H -2.539 20.768 -12.569 1.00 . A A . 16 PRO HB3 1 1
6 1160 1 1 16 PRO HD2 H -2.845 19.890 -8.786 1.00 . A A . 16 PRO HD2 1 1
6 1161 1 1 16 PRO HD3 H -1.603 19.390 -9.952 1.00 . A A . 16 PRO HD3 1 1
6 1162 1 1 16 PRO HG2 H -4.437 20.106 -10.363 1.00 . A A . 16 PRO HG2 1 1
6 1163 1 1 16 PRO HG3 H -3.391 19.029 -11.307 1.00 . A A . 16 PRO HG3 1 1
6 1164 1 1 16 PRO N N -1.936 21.475 -9.851 1.00 . A A . 16 PRO N 1 1
6 1165 1 1 16 PRO O O -4.107 24.009 -11.266 1.00 . A A . 16 PRO O 1 1
6 1166 1 1 17 PHL C C -4.440 24.629 -7.327 1.00 . A A . 17 PHL C 1 1
6 1167 1 1 17 PHL CA C -4.951 24.014 -8.627 1.00 . A A . 17 PHL CA 1 1
6 1168 1 1 17 PHL CB C -6.257 23.260 -8.367 1.00 . A A . 17 PHL CB 1 1
6 1169 1 1 17 PHL CD1 C -7.821 23.920 -10.216 1.00 . A A . 17 PHL CD1 1 1
6 1170 1 1 17 PHL CD2 C -6.966 21.694 -10.196 1.00 . A A . 17 PHL CD2 1 1
6 1171 1 1 17 PHL CE1 C -8.533 23.640 -11.367 1.00 . A A . 17 PHL CE1 1 1
6 1172 1 1 17 PHL CE2 C -7.675 21.409 -11.347 1.00 . A A . 17 PHL CE2 1 1
6 1173 1 1 17 PHL CG C -7.030 22.952 -9.618 1.00 . A A . 17 PHL CG 1 1
6 1174 1 1 17 PHL CZ C -8.461 22.382 -11.933 1.00 . A A . 17 PHL CZ 1 1
6 1175 1 1 17 PHL H H -3.529 22.446 -8.634 1.00 . A A . 17 PHL H 1 1
6 1176 1 1 17 PHL HA H -5.137 24.805 -9.337 1.00 . A A . 17 PHL HA 1 1
6 1177 1 1 17 PHL HB2 H -6.033 22.324 -7.878 1.00 . A A . 17 PHL HB2 1 1
6 1178 1 1 17 PHL HB3 H -6.887 23.856 -7.725 1.00 . A A . 17 PHL HB3 1 1
6 1179 1 1 17 PHL HC1 H -3.371 24.768 -7.396 1.00 . A A . 17 PHL HC1 1 1
6 1180 1 1 17 PHL HC2 H -4.922 25.583 -7.171 1.00 . A A . 17 PHL HC2 1 1
6 1181 1 1 17 PHL HD1 H -7.878 24.905 -9.773 1.00 . A A . 17 PHL HD1 1 1
6 1182 1 1 17 PHL HD2 H -6.353 20.931 -9.739 1.00 . A A . 17 PHL HD2 1 1
6 1183 1 1 17 PHL HE1 H -9.146 24.404 -11.822 1.00 . A A . 17 PHL HE1 1 1
6 1184 1 1 17 PHL HE2 H -7.618 20.424 -11.787 1.00 . A A . 17 PHL HE2 1 1
6 1185 1 1 17 PHL HO H -4.473 24.225 -5.396 1.00 . A A . 17 PHL HO 1 1
6 1186 1 1 17 PHL HZ H -9.016 22.162 -12.832 1.00 . A A . 17 PHL HZ 1 1
6 1187 1 1 17 PHL N N -3.956 23.119 -9.205 1.00 . A A . 17 PHL N 1 1
6 1188 1 1 17 PHL O O -4.723 23.779 -6.209 1.00 . A A . 17 PHL O 1 1
7 1189 1 1 1 ACE C C 1.468 0.952 -2.249 1.00 . A A . 1 ACE C 1 1
7 1190 1 1 1 ACE CH3 C 2.052 -0.007 -1.231 1.00 . A A . 1 ACE CH3 1 1
7 1191 1 1 1 ACE H1 H 1.298 -0.717 -0.929 1.00 . A A . 1 ACE H1 1 1
7 1192 1 1 1 ACE H2 H 2.392 0.547 -0.367 1.00 . A A . 1 ACE H2 1 1
7 1193 1 1 1 ACE H3 H 2.887 -0.534 -1.670 1.00 . A A . 1 ACE H3 1 1
7 1194 1 1 1 ACE O O 1.750 2.151 -2.217 1.00 . A A . 1 ACE O 1 1
7 1195 1 1 2 PHE C C -0.919 2.267 -3.576 1.00 . A A . 2 PHE C 1 1
7 1196 1 1 2 PHE CA C 0.030 1.242 -4.191 1.00 . A A . 2 PHE CA 1 1
7 1197 1 1 2 PHE CB C -0.730 0.357 -5.181 1.00 . A A . 2 PHE CB 1 1
7 1198 1 1 2 PHE CD1 C -0.052 1.610 -7.247 1.00 . A A . 2 PHE CD1 1 1
7 1199 1 1 2 PHE CD2 C -2.365 1.135 -6.918 1.00 . A A . 2 PHE CD2 1 1
7 1200 1 1 2 PHE CE1 C -0.350 2.247 -8.437 1.00 . A A . 2 PHE CE1 1 1
7 1201 1 1 2 PHE CE2 C -2.669 1.770 -8.108 1.00 . A A . 2 PHE CE2 1 1
7 1202 1 1 2 PHE CG C -1.056 1.048 -6.475 1.00 . A A . 2 PHE CG 1 1
7 1203 1 1 2 PHE CZ C -1.659 2.326 -8.869 1.00 . A A . 2 PHE CZ 1 1
7 1204 1 1 2 PHE H H 0.467 -0.537 -3.130 1.00 . A A . 2 PHE H 1 1
7 1205 1 1 2 PHE HA H 0.814 1.765 -4.716 1.00 . A A . 2 PHE HA 1 1
7 1206 1 1 2 PHE HB2 H -0.129 -0.510 -5.411 1.00 . A A . 2 PHE HB2 1 1
7 1207 1 1 2 PHE HB3 H -1.657 0.039 -4.730 1.00 . A A . 2 PHE HB3 1 1
7 1208 1 1 2 PHE HD1 H 0.973 1.548 -6.912 1.00 . A A . 2 PHE HD1 1 1
7 1209 1 1 2 PHE HD2 H -3.156 0.700 -6.323 1.00 . A A . 2 PHE HD2 1 1
7 1210 1 1 2 PHE HE1 H 0.442 2.680 -9.031 1.00 . A A . 2 PHE HE1 1 1
7 1211 1 1 2 PHE HE2 H -3.694 1.830 -8.442 1.00 . A A . 2 PHE HE2 1 1
7 1212 1 1 2 PHE HZ H -1.894 2.823 -9.798 1.00 . A A . 2 PHE HZ 1 1
7 1213 1 1 2 PHE N N 0.653 0.425 -3.157 1.00 . A A . 2 PHE N 1 1
7 1214 1 1 2 PHE O O -0.792 3.468 -3.814 1.00 . A A . 2 PHE O 1 1
7 1215 1 1 3 ABA C C -2.108 3.750 -1.367 1.00 . A A . 3 AIB C 1 1
7 1216 1 1 3 ABA CA C -2.842 2.656 -2.136 1.00 . A A . 3 AIB CA 1 1
7 1217 1 1 3 ABA H H -1.921 0.817 -2.633 1.00 . A A . 3 AIB H 1 1
7 1218 1 1 3 ABA N N -1.870 1.783 -2.785 1.00 . A A . 3 AIB N 1 1
7 1219 1 1 3 ABA O O -2.424 4.932 -1.497 1.00 . A A . 3 AIB O 1 1
7 1220 1 1 4 ABA C C 0.386 5.250 -0.709 1.00 . A A . 4 AIB C 1 1
7 1221 1 1 4 ABA CA C -0.348 4.293 0.224 1.00 . A A . 4 AIB CA 1 1
7 1222 1 1 4 ABA H H -0.922 2.391 -0.505 1.00 . A A . 4 AIB H 1 1
7 1223 1 1 4 ABA N N -1.127 3.347 -0.566 1.00 . A A . 4 AIB N 1 1
7 1224 1 1 4 ABA O O 0.518 6.438 -0.416 1.00 . A A . 4 AIB O 1 1
7 1225 1 1 5 ABA C C 0.724 6.722 -3.219 1.00 . A A . 5 AIB C 1 1
7 1226 1 1 5 ABA CA C 1.585 5.532 -2.808 1.00 . A A . 5 AIB CA 1 1
7 1227 1 1 5 ABA H H 0.726 3.771 -2.009 1.00 . A A . 5 AIB H 1 1
7 1228 1 1 5 ABA N N 0.863 4.724 -1.832 1.00 . A A . 5 AIB N 1 1
7 1229 1 1 5 ABA O O 1.239 7.796 -3.529 1.00 . A A . 5 AIB O 1 1
7 1230 1 1 6 . C C -1.222 8.834 -2.779 1.00 . A A . 6 DIV C 1 1
7 1231 1 1 6 . CA C -1.523 7.580 -3.592 1.00 . A A . 6 DIV CA 1 1
7 1232 1 1 6 . CB1 C -1.373 7.889 -5.078 1.00 . A A . 6 DIV CB1 1 1
7 1233 1 1 6 . CB2 C -2.950 7.122 -3.310 1.00 . A A . 6 DIV CB2 1 1
7 1234 1 1 6 . CG1 C -1.370 6.659 -5.959 1.00 . A A . 6 DIV CG1 1 1
7 1235 1 1 6 . H H -0.941 5.645 -2.962 1.00 . A A . 6 DIV H 1 1
7 1236 1 1 6 . HB11 H -0.447 8.422 -5.239 1.00 . A A . 6 DIV HB11 1 1
7 1237 1 1 6 . HB12 H -2.185 8.528 -5.393 1.00 . A A . 6 DIV HB12 1 1
7 1238 1 1 6 . HB21 H -3.646 7.830 -3.733 1.00 . A A . 6 DIV HB21 1 1
7 1239 1 1 6 . HB22 H -3.104 7.059 -2.243 1.00 . A A . 6 DIV HB22 1 1
7 1240 1 1 6 . HB23 H -3.110 6.150 -3.754 1.00 . A A . 6 DIV HB23 1 1
7 1241 1 1 6 . HG11 H -0.584 5.991 -5.641 1.00 . A A . 6 DIV HG11 1 1
7 1242 1 1 6 . HG12 H -1.201 6.952 -6.985 1.00 . A A . 6 DIV HG12 1 1
7 1243 1 1 6 . HG13 H -2.323 6.158 -5.880 1.00 . A A . 6 DIV HG13 1 1
7 1244 1 1 6 . N N -0.590 6.523 -3.219 1.00 . A A . 6 DIV N 1 1
7 1245 1 1 6 . O O -1.399 9.954 -3.257 1.00 . A A . 6 DIV O 1 1
7 1246 1 1 7 GLY C C 0.502 10.745 -1.342 1.00 . A A . 7 GLY C 1 1
7 1247 1 1 7 GLY CA C -0.447 9.763 -0.685 1.00 . A A . 7 GLY CA 1 1
7 1248 1 1 7 GLY H H -0.644 7.723 -1.217 1.00 . A A . 7 GLY H 1 1
7 1249 1 1 7 GLY HA2 H -1.362 10.277 -0.429 1.00 . A A . 7 GLY HA2 1 1
7 1250 1 1 7 GLY HA3 H 0.009 9.391 0.221 1.00 . A A . 7 GLY HA3 1 1
7 1251 1 1 7 GLY N N -0.766 8.638 -1.545 1.00 . A A . 7 GLY N 1 1
7 1252 1 1 7 GLY O O 0.409 11.953 -1.120 1.00 . A A . 7 GLY O 1 1
7 1253 1 1 8 LEU C C 1.742 11.804 -4.011 1.00 . A A . 8 LEU C 1 1
7 1254 1 1 8 LEU CA C 2.391 11.068 -2.843 1.00 . A A . 8 LEU CA 1 1
7 1255 1 1 8 LEU CB C 3.561 10.221 -3.346 1.00 . A A . 8 LEU CB 1 1
7 1256 1 1 8 LEU CD1 C 5.661 8.968 -2.796 1.00 . A A . 8 LEU CD1 1 1
7 1257 1 1 8 LEU CD2 C 4.418 10.173 -0.990 1.00 . A A . 8 LEU CD2 1 1
7 1258 1 1 8 LEU CG C 4.291 9.391 -2.289 1.00 . A A . 8 LEU CG 1 1
7 1259 1 1 8 LEU H H 1.443 9.259 -2.290 1.00 . A A . 8 LEU H 1 1
7 1260 1 1 8 LEU HA H 2.761 11.796 -2.136 1.00 . A A . 8 LEU HA 1 1
7 1261 1 1 8 LEU HB2 H 3.180 9.543 -4.094 1.00 . A A . 8 LEU HB2 1 1
7 1262 1 1 8 LEU HB3 H 4.280 10.888 -3.799 1.00 . A A . 8 LEU HB3 1 1
7 1263 1 1 8 LEU HD11 H 6.173 9.824 -3.207 1.00 . A A . 8 LEU HD11 1 1
7 1264 1 1 8 LEU HD12 H 5.545 8.215 -3.562 1.00 . A A . 8 LEU HD12 1 1
7 1265 1 1 8 LEU HD13 H 6.237 8.561 -1.978 1.00 . A A . 8 LEU HD13 1 1
7 1266 1 1 8 LEU HD21 H 4.582 11.217 -1.214 1.00 . A A . 8 LEU HD21 1 1
7 1267 1 1 8 LEU HD22 H 5.254 9.792 -0.421 1.00 . A A . 8 LEU HD22 1 1
7 1268 1 1 8 LEU HD23 H 3.511 10.066 -0.415 1.00 . A A . 8 LEU HD23 1 1
7 1269 1 1 8 LEU HG H 3.719 8.495 -2.086 1.00 . A A . 8 LEU HG 1 1
7 1270 1 1 8 LEU N N 1.418 10.228 -2.152 1.00 . A A . 8 LEU N 1 1
7 1271 1 1 8 LEU O O 2.201 12.871 -4.418 1.00 . A A . 8 LEU O 1 1
7 1272 1 1 9 ABA C C -1.000 12.897 -5.144 1.00 . A A . 9 AIB C 1 1
7 1273 1 1 9 ABA CA C -0.044 11.829 -5.665 1.00 . A A . 9 AIB CA 1 1
7 1274 1 1 9 ABA H H 0.352 10.377 -4.177 1.00 . A A . 9 AIB H 1 1
7 1275 1 1 9 ABA N N 0.670 11.227 -4.545 1.00 . A A . 9 AIB N 1 1
7 1276 1 1 9 ABA O O -1.484 13.734 -5.904 1.00 . A A . 9 AIB O 1 1
7 1277 1 1 10 ABA C C -1.636 15.236 -3.452 1.00 . A A . 10 AIB C 1 1
7 1278 1 1 10 ABA CA C -2.165 13.825 -3.219 1.00 . A A . 10 AIB CA 1 1
7 1279 1 1 10 ABA H H -0.850 12.168 -3.288 1.00 . A A . 10 AIB H 1 1
7 1280 1 1 10 ABA N N -1.267 12.860 -3.842 1.00 . A A . 10 AIB N 1 1
7 1281 1 1 10 ABA O O -2.333 16.109 -3.970 1.00 . A A . 10 AIB O 1 1
7 1282 1 1 11 HYP C C 0.236 17.270 -4.659 1.00 . A A . 11 HYP C 1 1
7 1283 1 1 11 HYP CA C 0.277 16.771 -3.218 1.00 . A A . 11 HYP CA 1 1
7 1284 1 1 11 HYP CB C 1.721 16.501 -2.787 1.00 . A A . 11 HYP CB 1 1
7 1285 1 1 11 HYP CD C 0.515 14.473 -2.437 1.00 . A A . 11 HYP CD 1 1
7 1286 1 1 11 HYP CG C 1.638 15.289 -1.925 1.00 . A A . 11 HYP CG 1 1
7 1287 1 1 11 HYP HA H -0.161 17.514 -2.568 1.00 . A A . 11 HYP HA 1 1
7 1288 1 1 11 HYP HB2 H 2.333 16.325 -3.661 1.00 . A A . 11 HYP HB2 1 1
7 1289 1 1 11 HYP HB3 H 2.102 17.350 -2.239 1.00 . A A . 11 HYP HB3 1 1
7 1290 1 1 11 HYP HD1 H 1.197 16.011 -0.143 1.00 . A A . 11 HYP HD1 1 1
7 1291 1 1 11 HYP HD22 H 0.731 13.666 -3.121 1.00 . A A . 11 HYP HD22 1 1
7 1292 1 1 11 HYP HD23 H 0.084 14.091 -1.524 1.00 . A A . 11 HYP HD23 1 1
7 1293 1 1 11 HYP HG H 2.316 14.537 -2.303 1.00 . A A . 11 HYP HG 1 1
7 1294 1 1 11 HYP N N -0.374 15.467 -3.062 1.00 . A A . 11 HYP N 1 1
7 1295 1 1 11 HYP O O 0.431 18.457 -4.919 1.00 . A A . 11 HYP O 1 1
7 1296 1 1 11 HYP OD1 O 1.957 15.602 -0.564 1.00 . A A . 11 HYP OD1 1 1
7 1297 1 1 12 GLN C C -1.498 17.134 -7.393 1.00 . A A . 12 GLN C 1 1
7 1298 1 1 12 GLN CA C -0.087 16.706 -7.004 1.00 . A A . 12 GLN CA 1 1
7 1299 1 1 12 GLN CB C 0.355 15.521 -7.864 1.00 . A A . 12 GLN CB 1 1
7 1300 1 1 12 GLN CD C 2.513 16.294 -8.927 1.00 . A A . 12 GLN CD 1 1
7 1301 1 1 12 GLN CG C 1.864 15.349 -7.935 1.00 . A A . 12 GLN CG 1 1
7 1302 1 1 12 GLN H H -0.167 15.427 -5.319 1.00 . A A . 12 GLN H 1 1
7 1303 1 1 12 GLN HA H 0.586 17.533 -7.173 1.00 . A A . 12 GLN HA 1 1
7 1304 1 1 12 GLN HB2 H -0.070 14.617 -7.456 1.00 . A A . 12 GLN HB2 1 1
7 1305 1 1 12 GLN HB3 H -0.016 15.663 -8.869 1.00 . A A . 12 GLN HB3 1 1
7 1306 1 1 12 GLN HE21 H 2.750 17.664 -7.505 1.00 . A A . 12 GLN HE21 1 1
7 1307 1 1 12 GLN HE22 H 3.325 18.102 -9.074 1.00 . A A . 12 GLN HE22 1 1
7 1308 1 1 12 GLN HG2 H 2.281 15.538 -6.956 1.00 . A A . 12 GLN HG2 1 1
7 1309 1 1 12 GLN HG3 H 2.084 14.334 -8.229 1.00 . A A . 12 GLN HG3 1 1
7 1310 1 1 12 GLN N N -0.020 16.357 -5.590 1.00 . A A . 12 GLN N 1 1
7 1311 1 1 12 GLN NE2 N 2.902 17.473 -8.455 1.00 . A A . 12 GLN NE2 1 1
7 1312 1 1 12 GLN O O -1.704 17.753 -8.436 1.00 . A A . 12 GLN O 1 1
7 1313 1 1 12 GLN OE1 O 2.665 15.968 -10.105 1.00 . A A . 12 GLN OE1 1 1
7 1314 1 1 13 . C C -3.999 18.667 -6.861 1.00 . A A . 13 DIV C 1 1
7 1315 1 1 13 . CA C -3.859 17.150 -6.803 1.00 . A A . 13 DIV CA 1 1
7 1316 1 1 13 . CB1 C -4.298 16.547 -8.133 1.00 . A A . 13 DIV CB1 1 1
7 1317 1 1 13 . CB2 C -4.735 16.600 -5.682 1.00 . A A . 13 DIV CB2 1 1
7 1318 1 1 13 . CG1 C -3.582 15.262 -8.486 1.00 . A A . 13 DIV CG1 1 1
7 1319 1 1 13 . H H -2.240 16.307 -5.731 1.00 . A A . 13 DIV H 1 1
7 1320 1 1 13 . HB11 H -4.119 17.261 -8.924 1.00 . A A . 13 DIV HB11 1 1
7 1321 1 1 13 . HB12 H -5.358 16.344 -8.100 1.00 . A A . 13 DIV HB12 1 1
7 1322 1 1 13 . HB21 H -5.644 16.195 -6.102 1.00 . A A . 13 DIV HB21 1 1
7 1323 1 1 13 . HB22 H -4.980 17.396 -4.994 1.00 . A A . 13 DIV HB22 1 1
7 1324 1 1 13 . HB23 H -4.202 15.821 -5.157 1.00 . A A . 13 DIV HB23 1 1
7 1325 1 1 13 . HG11 H -2.616 15.493 -8.911 1.00 . A A . 13 DIV HG11 1 1
7 1326 1 1 13 . HG12 H -4.168 14.708 -9.204 1.00 . A A . 13 DIV HG12 1 1
7 1327 1 1 13 . HG13 H -3.450 14.667 -7.594 1.00 . A A . 13 DIV HG13 1 1
7 1328 1 1 13 . N N -2.467 16.800 -6.547 1.00 . A A . 13 DIV N 1 1
7 1329 1 1 13 . O O -4.560 19.227 -7.803 1.00 . A A . 13 DIV O 1 1
7 1330 1 1 14 HYP C C -2.421 21.483 -6.541 1.00 . A A . 14 HYP C 1 1
7 1331 1 1 14 HYP CA C -3.533 20.812 -5.742 1.00 . A A . 14 HYP CA 1 1
7 1332 1 1 14 HYP CB C -3.355 21.083 -4.246 1.00 . A A . 14 HYP CB 1 1
7 1333 1 1 14 HYP CD C -2.795 18.747 -4.674 1.00 . A A . 14 HYP CD 1 1
7 1334 1 1 14 HYP CG C -2.646 19.880 -3.724 1.00 . A A . 14 HYP CG 1 1
7 1335 1 1 14 HYP HA H -4.489 21.194 -6.067 1.00 . A A . 14 HYP HA 1 1
7 1336 1 1 14 HYP HB2 H -2.767 21.980 -4.107 1.00 . A A . 14 HYP HB2 1 1
7 1337 1 1 14 HYP HB3 H -4.321 21.204 -3.780 1.00 . A A . 14 HYP HB3 1 1
7 1338 1 1 14 HYP HD1 H -2.359 19.013 -1.975 1.00 . A A . 14 HYP HD1 1 1
7 1339 1 1 14 HYP HD22 H -1.842 18.329 -4.963 1.00 . A A . 14 HYP HD22 1 1
7 1340 1 1 14 HYP HD23 H -3.415 17.993 -4.211 1.00 . A A . 14 HYP HD23 1 1
7 1341 1 1 14 HYP HG H -1.581 20.022 -3.828 1.00 . A A . 14 HYP HG 1 1
7 1342 1 1 14 HYP N N -3.478 19.350 -5.831 1.00 . A A . 14 HYP N 1 1
7 1343 1 1 14 HYP O O -2.368 22.709 -6.640 1.00 . A A . 14 HYP O 1 1
7 1344 1 1 14 HYP OD1 O -2.981 19.640 -2.352 1.00 . A A . 14 HYP OD1 1 1
7 1345 1 1 15 ABA C C -0.964 22.078 -9.015 1.00 . A A . 15 AIB C 1 1
7 1346 1 1 15 ABA CA C -0.424 21.189 -7.900 1.00 . A A . 15 AIB CA 1 1
7 1347 1 1 15 ABA H H -1.630 19.704 -6.994 1.00 . A A . 15 AIB H 1 1
7 1348 1 1 15 ABA N N -1.535 20.672 -7.109 1.00 . A A . 15 AIB N 1 1
7 1349 1 1 15 ABA O O -0.605 23.250 -9.136 1.00 . A A . 15 AIB O 1 1
7 1350 1 1 16 PRO C C -3.516 23.231 -10.508 1.00 . A A . 16 PRO C 1 1
7 1351 1 1 16 PRO CA C -2.457 22.236 -10.969 1.00 . A A . 16 PRO CA 1 1
7 1352 1 1 16 PRO CB C -3.095 21.124 -11.805 1.00 . A A . 16 PRO CB 1 1
7 1353 1 1 16 PRO CD C -2.321 20.119 -9.764 1.00 . A A . 16 PRO CD 1 1
7 1354 1 1 16 PRO CG C -3.360 20.024 -10.835 1.00 . A A . 16 PRO CG 1 1
7 1355 1 1 16 PRO HA H -1.713 22.751 -11.559 1.00 . A A . 16 PRO HA 1 1
7 1356 1 1 16 PRO HB2 H -4.011 21.486 -12.252 1.00 . A A . 16 PRO HB2 1 1
7 1357 1 1 16 PRO HB3 H -2.410 20.811 -12.579 1.00 . A A . 16 PRO HB3 1 1
7 1358 1 1 16 PRO HD2 H -2.773 19.924 -8.803 1.00 . A A . 16 PRO HD2 1 1
7 1359 1 1 16 PRO HD3 H -1.514 19.426 -9.951 1.00 . A A . 16 PRO HD3 1 1
7 1360 1 1 16 PRO HG2 H -4.341 20.144 -10.402 1.00 . A A . 16 PRO HG2 1 1
7 1361 1 1 16 PRO HG3 H -3.282 19.069 -11.333 1.00 . A A . 16 PRO HG3 1 1
7 1362 1 1 16 PRO N N -1.848 21.511 -9.849 1.00 . A A . 16 PRO N 1 1
7 1363 1 1 16 PRO O O -3.996 24.050 -11.292 1.00 . A A . 16 PRO O 1 1
7 1364 1 1 17 PHL C C -4.276 24.921 -7.568 1.00 . A A . 17 PHL C 1 1
7 1365 1 1 17 PHL CA C -4.880 24.049 -8.666 1.00 . A A . 17 PHL CA 1 1
7 1366 1 1 17 PHL CB C -6.054 23.244 -8.104 1.00 . A A . 17 PHL CB 1 1
7 1367 1 1 17 PHL CD1 C -6.947 21.249 -9.336 1.00 . A A . 17 PHL CD1 1 1
7 1368 1 1 17 PHL CD2 C -7.698 23.415 -9.992 1.00 . A A . 17 PHL CD2 1 1
7 1369 1 1 17 PHL CE1 C -7.741 20.674 -10.311 1.00 . A A . 17 PHL CE1 1 1
7 1370 1 1 17 PHL CE2 C -8.493 22.846 -10.969 1.00 . A A . 17 PHL CE2 1 1
7 1371 1 1 17 PHL CG C -6.917 22.623 -9.165 1.00 . A A . 17 PHL CG 1 1
7 1372 1 1 17 PHL CZ C -8.514 21.474 -11.129 1.00 . A A . 17 PHL CZ 1 1
7 1373 1 1 17 PHL H H -3.458 22.481 -8.655 1.00 . A A . 17 PHL H 1 1
7 1374 1 1 17 PHL HA H -5.239 24.687 -9.458 1.00 . A A . 17 PHL HA 1 1
7 1375 1 1 17 PHL HB2 H -5.671 22.449 -7.482 1.00 . A A . 17 PHL HB2 1 1
7 1376 1 1 17 PHL HB3 H -6.675 23.895 -7.508 1.00 . A A . 17 PHL HB3 1 1
7 1377 1 1 17 PHL HC1 H -4.484 24.477 -6.606 1.00 . A A . 17 PHL HC1 1 1
7 1378 1 1 17 PHL HC2 H -3.208 24.988 -7.715 1.00 . A A . 17 PHL HC2 1 1
7 1379 1 1 17 PHL HD1 H -6.342 20.621 -8.696 1.00 . A A . 17 PHL HD1 1 1
7 1380 1 1 17 PHL HD2 H -7.682 24.488 -9.869 1.00 . A A . 17 PHL HD2 1 1
7 1381 1 1 17 PHL HE1 H -7.754 19.601 -10.434 1.00 . A A . 17 PHL HE1 1 1
7 1382 1 1 17 PHL HE2 H -9.097 23.474 -11.607 1.00 . A A . 17 PHL HE2 1 1
7 1383 1 1 17 PHL HO H -5.784 26.188 -7.683 1.00 . A A . 17 PHL HO 1 1
7 1384 1 1 17 PHL HZ H -9.135 21.028 -11.891 1.00 . A A . 17 PHL HZ 1 1
7 1385 1 1 17 PHL N N -3.877 23.155 -9.231 1.00 . A A . 17 PHL N 1 1
7 1386 1 1 17 PHL O O -4.830 26.242 -7.597 1.00 . A A . 17 PHL O 1 1
8 1387 1 1 1 ACE C C 1.451 0.877 -2.205 1.00 . A A . 1 ACE C 1 1
8 1388 1 1 1 ACE CH3 C 2.024 -0.097 -1.194 1.00 . A A . 1 ACE CH3 1 1
8 1389 1 1 1 ACE H1 H 3.100 -0.114 -1.280 1.00 . A A . 1 ACE H1 1 1
8 1390 1 1 1 ACE H2 H 1.631 -1.085 -1.383 1.00 . A A . 1 ACE H2 1 1
8 1391 1 1 1 ACE H3 H 1.747 0.215 -0.197 1.00 . A A . 1 ACE H3 1 1
8 1392 1 1 1 ACE O O 1.719 2.077 -2.142 1.00 . A A . 1 ACE O 1 1
8 1393 1 1 2 PHE C C -0.887 2.223 -3.553 1.00 . A A . 2 PHE C 1 1
8 1394 1 1 2 PHE CA C 0.053 1.193 -4.172 1.00 . A A . 2 PHE CA 1 1
8 1395 1 1 2 PHE CB C -0.712 0.324 -5.173 1.00 . A A . 2 PHE CB 1 1
8 1396 1 1 2 PHE CD1 C -2.151 1.813 -6.590 1.00 . A A . 2 PHE CD1 1 1
8 1397 1 1 2 PHE CD2 C -0.172 0.899 -7.555 1.00 . A A . 2 PHE CD2 1 1
8 1398 1 1 2 PHE CE1 C -2.435 2.459 -7.778 1.00 . A A . 2 PHE CE1 1 1
8 1399 1 1 2 PHE CE2 C -0.450 1.543 -8.745 1.00 . A A . 2 PHE CE2 1 1
8 1400 1 1 2 PHE CG C -1.018 1.026 -6.465 1.00 . A A . 2 PHE CG 1 1
8 1401 1 1 2 PHE CZ C -1.583 2.325 -8.857 1.00 . A A . 2 PHE CZ 1 1
8 1402 1 1 2 PHE H H 0.487 -0.604 -3.139 1.00 . A A . 2 PHE H 1 1
8 1403 1 1 2 PHE HA H 0.845 1.711 -4.690 1.00 . A A . 2 PHE HA 1 1
8 1404 1 1 2 PHE HB2 H -0.123 -0.551 -5.402 1.00 . A A . 2 PHE HB2 1 1
8 1405 1 1 2 PHE HB3 H -1.648 0.017 -4.730 1.00 . A A . 2 PHE HB3 1 1
8 1406 1 1 2 PHE HD1 H -2.818 1.919 -5.747 1.00 . A A . 2 PHE HD1 1 1
8 1407 1 1 2 PHE HD2 H 0.716 0.287 -7.468 1.00 . A A . 2 PHE HD2 1 1
8 1408 1 1 2 PHE HE1 H -3.322 3.070 -7.862 1.00 . A A . 2 PHE HE1 1 1
8 1409 1 1 2 PHE HE2 H 0.218 1.436 -9.587 1.00 . A A . 2 PHE HE2 1 1
8 1410 1 1 2 PHE HZ H -1.803 2.828 -9.786 1.00 . A A . 2 PHE HZ 1 1
8 1411 1 1 2 PHE N N 0.662 0.361 -3.141 1.00 . A A . 2 PHE N 1 1
8 1412 1 1 2 PHE O O -0.752 3.423 -3.789 1.00 . A A . 2 PHE O 1 1
8 1413 1 1 3 ABA C C -2.062 3.712 -1.342 1.00 . A A . 3 AIB C 1 1
8 1414 1 1 3 ABA CA C -2.805 2.623 -2.109 1.00 . A A . 3 AIB CA 1 1
8 1415 1 1 3 ABA H H -1.898 0.778 -2.612 1.00 . A A . 3 AIB H 1 1
8 1416 1 1 3 ABA N N -1.841 1.745 -2.761 1.00 . A A . 3 AIB N 1 1
8 1417 1 1 3 ABA O O -2.375 4.895 -1.465 1.00 . A A . 3 AIB O 1 1
8 1418 1 1 4 ABA C C 0.441 5.202 -0.696 1.00 . A A . 4 AIB C 1 1
8 1419 1 1 4 ABA CA C -0.289 4.244 0.238 1.00 . A A . 4 AIB CA 1 1
8 1420 1 1 4 ABA H H -0.874 2.346 -0.493 1.00 . A A . 4 AIB H 1 1
8 1421 1 1 4 ABA N N -1.076 3.303 -0.549 1.00 . A A . 4 AIB N 1 1
8 1422 1 1 4 ABA O O 0.585 6.387 -0.397 1.00 . A A . 4 AIB O 1 1
8 1423 1 1 5 ABA C C 0.750 6.680 -3.215 1.00 . A A . 5 AIB C 1 1
8 1424 1 1 5 ABA CA C 1.615 5.492 -2.808 1.00 . A A . 5 AIB CA 1 1
8 1425 1 1 5 ABA H H 0.754 3.730 -2.012 1.00 . A A . 5 AIB H 1 1
8 1426 1 1 5 ABA N N 0.900 4.682 -1.830 1.00 . A A . 5 AIB N 1 1
8 1427 1 1 5 ABA O O 1.261 7.754 -3.529 1.00 . A A . 5 AIB O 1 1
8 1428 1 1 6 . C C -1.198 8.788 -2.763 1.00 . A A . 6 DIV C 1 1
8 1429 1 1 6 . CA C -1.501 7.533 -3.575 1.00 . A A . 6 DIV CA 1 1
8 1430 1 1 6 . CB1 C -1.360 7.842 -5.061 1.00 . A A . 6 DIV CB1 1 1
8 1431 1 1 6 . CB2 C -2.925 7.072 -3.284 1.00 . A A . 6 DIV CB2 1 1
8 1432 1 1 6 . CG1 C -1.361 6.612 -5.942 1.00 . A A . 6 DIV CG1 1 1
8 1433 1 1 6 . H H -0.911 5.600 -2.947 1.00 . A A . 6 DIV H 1 1
8 1434 1 1 6 . HB11 H -0.436 8.376 -5.228 1.00 . A A . 6 DIV HB11 1 1
8 1435 1 1 6 . HB12 H -2.174 8.480 -5.372 1.00 . A A . 6 DIV HB12 1 1
8 1436 1 1 6 . HB21 H -3.086 7.050 -2.217 1.00 . A A . 6 DIV HB21 1 1
8 1437 1 1 6 . HB22 H -3.073 6.082 -3.691 1.00 . A A . 6 DIV HB22 1 1
8 1438 1 1 6 . HB23 H -3.625 7.756 -3.740 1.00 . A A . 6 DIV HB23 1 1
8 1439 1 1 6 . HG11 H -0.360 6.209 -5.999 1.00 . A A . 6 DIV HG11 1 1
8 1440 1 1 6 . HG12 H -1.699 6.879 -6.933 1.00 . A A . 6 DIV HG12 1 1
8 1441 1 1 6 . HG13 H -2.024 5.870 -5.523 1.00 . A A . 6 DIV HG13 1 1
8 1442 1 1 6 . N N -0.564 6.478 -3.206 1.00 . A A . 6 DIV N 1 1
8 1443 1 1 6 . O O -1.380 9.907 -3.241 1.00 . A A . 6 DIV O 1 1
8 1444 1 1 7 GLY C C 0.530 10.703 -1.337 1.00 . A A . 7 GLY C 1 1
8 1445 1 1 7 GLY CA C -0.413 9.719 -0.674 1.00 . A A . 7 GLY CA 1 1
8 1446 1 1 7 GLY H H -0.608 7.678 -1.205 1.00 . A A . 7 GLY H 1 1
8 1447 1 1 7 GLY HA2 H -1.327 10.231 -0.414 1.00 . A A . 7 GLY HA2 1 1
8 1448 1 1 7 GLY HA3 H 0.050 9.348 0.229 1.00 . A A . 7 GLY HA3 1 1
8 1449 1 1 7 GLY N N -0.733 8.594 -1.532 1.00 . A A . 7 GLY N 1 1
8 1450 1 1 7 GLY O O 0.436 11.911 -1.115 1.00 . A A . 7 GLY O 1 1
8 1451 1 1 8 LEU C C 1.752 11.764 -4.014 1.00 . A A . 8 LEU C 1 1
8 1452 1 1 8 LEU CA C 2.409 11.030 -2.850 1.00 . A A . 8 LEU CA 1 1
8 1453 1 1 8 LEU CB C 3.578 10.185 -3.360 1.00 . A A . 8 LEU CB 1 1
8 1454 1 1 8 LEU CD1 C 5.684 8.937 -2.822 1.00 . A A . 8 LEU CD1 1 1
8 1455 1 1 8 LEU CD2 C 4.448 10.138 -1.009 1.00 . A A . 8 LEU CD2 1 1
8 1456 1 1 8 LEU CG C 4.316 9.356 -2.308 1.00 . A A . 8 LEU CG 1 1
8 1457 1 1 8 LEU H H 1.469 9.219 -2.291 1.00 . A A . 8 LEU H 1 1
8 1458 1 1 8 LEU HA H 2.782 11.759 -2.146 1.00 . A A . 8 LEU HA 1 1
8 1459 1 1 8 LEU HB2 H 3.195 9.507 -4.106 1.00 . A A . 8 LEU HB2 1 1
8 1460 1 1 8 LEU HB3 H 4.294 10.854 -3.817 1.00 . A A . 8 LEU HB3 1 1
8 1461 1 1 8 LEU HD11 H 6.192 9.795 -3.234 1.00 . A A . 8 LEU HD11 1 1
8 1462 1 1 8 LEU HD12 H 5.566 8.186 -3.589 1.00 . A A . 8 LEU HD12 1 1
8 1463 1 1 8 LEU HD13 H 6.265 8.530 -2.007 1.00 . A A . 8 LEU HD13 1 1
8 1464 1 1 8 LEU HD21 H 3.545 10.026 -0.428 1.00 . A A . 8 LEU HD21 1 1
8 1465 1 1 8 LEU HD22 H 4.605 11.183 -1.233 1.00 . A A . 8 LEU HD22 1 1
8 1466 1 1 8 LEU HD23 H 5.288 9.760 -0.446 1.00 . A A . 8 LEU HD23 1 1
8 1467 1 1 8 LEU HG H 3.748 8.459 -2.103 1.00 . A A . 8 LEU HG 1 1
8 1468 1 1 8 LEU N N 1.443 10.188 -2.153 1.00 . A A . 8 LEU N 1 1
8 1469 1 1 8 LEU O O 2.206 12.832 -4.424 1.00 . A A . 8 LEU O 1 1
8 1470 1 1 9 ABA C C -0.999 12.851 -5.130 1.00 . A A . 9 AIB C 1 1
8 1471 1 1 9 ABA CA C -0.044 11.785 -5.657 1.00 . A A . 9 AIB CA 1 1
8 1472 1 1 9 ABA H H 0.364 10.334 -4.171 1.00 . A A . 9 AIB H 1 1
8 1473 1 1 9 ABA N N 0.678 11.185 -4.541 1.00 . A A . 9 AIB N 1 1
8 1474 1 1 9 ABA O O -1.490 13.687 -5.888 1.00 . A A . 9 AIB O 1 1
8 1475 1 1 10 ABA C C -1.630 15.189 -3.436 1.00 . A A . 10 AIB C 1 1
8 1476 1 1 10 ABA CA C -2.155 13.777 -3.199 1.00 . A A . 10 AIB CA 1 1
8 1477 1 1 10 ABA H H -0.836 12.123 -3.276 1.00 . A A . 10 AIB H 1 1
8 1478 1 1 10 ABA N N -1.258 12.814 -3.827 1.00 . A A . 10 AIB N 1 1
8 1479 1 1 10 ABA O O -2.332 16.060 -3.949 1.00 . A A . 10 AIB O 1 1
8 1480 1 1 11 HYP C C 0.230 17.227 -4.654 1.00 . A A . 11 HYP C 1 1
8 1481 1 1 11 HYP CA C 0.281 16.728 -3.214 1.00 . A A . 11 HYP CA 1 1
8 1482 1 1 11 HYP CB C 1.728 16.461 -2.791 1.00 . A A . 11 HYP CB 1 1
8 1483 1 1 11 HYP CD C 0.529 14.431 -2.434 1.00 . A A . 11 HYP CD 1 1
8 1484 1 1 11 HYP CG C 1.653 15.249 -1.929 1.00 . A A . 11 HYP CG 1 1
8 1485 1 1 11 HYP HA H -0.155 17.471 -2.561 1.00 . A A . 11 HYP HA 1 1
8 1486 1 1 11 HYP HB2 H 2.335 16.287 -3.669 1.00 . A A . 11 HYP HB2 1 1
8 1487 1 1 11 HYP HB3 H 2.110 17.311 -2.246 1.00 . A A . 11 HYP HB3 1 1
8 1488 1 1 11 HYP HD1 H 1.192 15.949 -0.143 1.00 . A A . 11 HYP HD1 1 1
8 1489 1 1 11 HYP HD22 H 0.743 13.624 -3.119 1.00 . A A . 11 HYP HD22 1 1
8 1490 1 1 11 HYP HD23 H 0.104 14.048 -1.517 1.00 . A A . 11 HYP HD23 1 1
8 1491 1 1 11 HYP HG H 2.340 14.504 -2.302 1.00 . A A . 11 HYP HG 1 1
8 1492 1 1 11 HYP N N -0.366 15.423 -3.053 1.00 . A A . 11 HYP N 1 1
8 1493 1 1 11 HYP O O 0.421 18.414 -4.915 1.00 . A A . 11 HYP O 1 1
8 1494 1 1 11 HYP OD1 O 1.963 15.567 -0.566 1.00 . A A . 11 HYP OD1 1 1
8 1495 1 1 12 GLN C C -1.520 17.087 -7.377 1.00 . A A . 12 GLN C 1 1
8 1496 1 1 12 GLN CA C -0.106 16.662 -6.997 1.00 . A A . 12 GLN CA 1 1
8 1497 1 1 12 GLN CB C 0.334 15.478 -7.860 1.00 . A A . 12 GLN CB 1 1
8 1498 1 1 12 GLN CD C 2.493 16.311 -8.873 1.00 . A A . 12 GLN CD 1 1
8 1499 1 1 12 GLN CG C 1.842 15.309 -7.939 1.00 . A A . 12 GLN CG 1 1
8 1500 1 1 12 GLN H H -0.173 15.383 -5.312 1.00 . A A . 12 GLN H 1 1
8 1501 1 1 12 GLN HA H 0.565 17.490 -7.170 1.00 . A A . 12 GLN HA 1 1
8 1502 1 1 12 GLN HB2 H -0.087 14.572 -7.449 1.00 . A A . 12 GLN HB2 1 1
8 1503 1 1 12 GLN HB3 H -0.044 15.619 -8.862 1.00 . A A . 12 GLN HB3 1 1
8 1504 1 1 12 GLN HE21 H 3.040 17.434 -7.326 1.00 . A A . 12 GLN HE21 1 1
8 1505 1 1 12 GLN HE22 H 3.496 18.027 -8.883 1.00 . A A . 12 GLN HE22 1 1
8 1506 1 1 12 GLN HG2 H 2.259 15.438 -6.951 1.00 . A A . 12 GLN HG2 1 1
8 1507 1 1 12 GLN HG3 H 2.062 14.313 -8.294 1.00 . A A . 12 GLN HG3 1 1
8 1508 1 1 12 GLN N N -0.030 16.313 -5.583 1.00 . A A . 12 GLN N 1 1
8 1509 1 1 12 GLN NE2 N 3.067 17.365 -8.304 1.00 . A A . 12 GLN NE2 1 1
8 1510 1 1 12 GLN O O -1.733 17.705 -8.420 1.00 . A A . 12 GLN O 1 1
8 1511 1 1 12 GLN OE1 O 2.480 16.140 -10.092 1.00 . A A . 12 GLN OE1 1 1
8 1512 1 1 13 . C C -4.022 18.614 -6.831 1.00 . A A . 13 DIV C 1 1
8 1513 1 1 13 . CA C -3.877 17.097 -6.773 1.00 . A A . 13 DIV CA 1 1
8 1514 1 1 13 . CB1 C -4.323 16.493 -8.101 1.00 . A A . 13 DIV CB1 1 1
8 1515 1 1 13 . CB2 C -4.746 16.546 -5.647 1.00 . A A . 13 DIV CB2 1 1
8 1516 1 1 13 . CG1 C -3.606 15.209 -8.457 1.00 . A A . 13 DIV CG1 1 1
8 1517 1 1 13 . H H -2.250 16.258 -5.711 1.00 . A A . 13 DIV H 1 1
8 1518 1 1 13 . HB11 H -4.151 17.207 -8.893 1.00 . A A . 13 DIV HB11 1 1
8 1519 1 1 13 . HB12 H -5.383 16.288 -8.061 1.00 . A A . 13 DIV HB12 1 1
8 1520 1 1 13 . HB21 H -4.988 17.341 -4.957 1.00 . A A . 13 DIV HB21 1 1
8 1521 1 1 13 . HB22 H -4.208 15.768 -5.125 1.00 . A A . 13 DIV HB22 1 1
8 1522 1 1 13 . HB23 H -5.656 16.139 -6.061 1.00 . A A . 13 DIV HB23 1 1
8 1523 1 1 13 . HG11 H -3.468 14.615 -7.566 1.00 . A A . 13 DIV HG11 1 1
8 1524 1 1 13 . HG12 H -2.644 15.442 -8.888 1.00 . A A . 13 DIV HG12 1 1
8 1525 1 1 13 . HG13 H -4.196 14.655 -9.172 1.00 . A A . 13 DIV HG13 1 1
8 1526 1 1 13 . N N -2.483 16.750 -6.525 1.00 . A A . 13 DIV N 1 1
8 1527 1 1 13 . O O -4.590 19.173 -7.769 1.00 . A A . 13 DIV O 1 1
8 1528 1 1 14 HYP C C -2.447 21.434 -6.520 1.00 . A A . 14 HYP C 1 1
8 1529 1 1 14 HYP CA C -3.553 20.760 -5.715 1.00 . A A . 14 HYP CA 1 1
8 1530 1 1 14 HYP CB C -3.366 21.032 -4.220 1.00 . A A . 14 HYP CB 1 1
8 1531 1 1 14 HYP CD C -2.804 18.697 -4.651 1.00 . A A . 14 HYP CD 1 1
8 1532 1 1 14 HYP CG C -2.652 19.831 -3.702 1.00 . A A . 14 HYP CG 1 1
8 1533 1 1 14 HYP HA H -4.512 21.140 -6.034 1.00 . A A . 14 HYP HA 1 1
8 1534 1 1 14 HYP HB2 H -2.780 21.930 -4.085 1.00 . A A . 14 HYP HB2 1 1
8 1535 1 1 14 HYP HB3 H -4.331 21.151 -3.749 1.00 . A A . 14 HYP HB3 1 1
8 1536 1 1 14 HYP HD1 H -3.569 20.119 -1.979 1.00 . A A . 14 HYP HD1 1 1
8 1537 1 1 14 HYP HD22 H -1.852 18.281 -4.946 1.00 . A A . 14 HYP HD22 1 1
8 1538 1 1 14 HYP HD23 H -3.419 17.942 -4.184 1.00 . A A . 14 HYP HD23 1 1
8 1539 1 1 14 HYP HG H -1.612 20.076 -3.546 1.00 . A A . 14 HYP HG 1 1
8 1540 1 1 14 HYP N N -3.496 19.298 -5.804 1.00 . A A . 14 HYP N 1 1
8 1541 1 1 14 HYP O O -2.398 22.659 -6.620 1.00 . A A . 14 HYP O 1 1
8 1542 1 1 14 HYP OD1 O -3.241 19.369 -2.480 1.00 . A A . 14 HYP OD1 1 1
8 1543 1 1 15 ABA C C -1.006 22.032 -9.003 1.00 . A A . 15 AIB C 1 1
8 1544 1 1 15 ABA CA C -0.458 21.143 -7.891 1.00 . A A . 15 AIB CA 1 1
8 1545 1 1 15 ABA H H -1.655 19.656 -6.978 1.00 . A A . 15 AIB H 1 1
8 1546 1 1 15 ABA N N -1.562 20.625 -7.094 1.00 . A A . 15 AIB N 1 1
8 1547 1 1 15 ABA O O -0.650 23.204 -9.126 1.00 . A A . 15 AIB O 1 1
8 1548 1 1 16 PRO C C -3.570 23.178 -10.480 1.00 . A A . 16 PRO C 1 1
8 1549 1 1 16 PRO CA C -2.511 22.186 -10.948 1.00 . A A . 16 PRO CA 1 1
8 1550 1 1 16 PRO CB C -3.151 21.073 -11.781 1.00 . A A . 16 PRO CB 1 1
8 1551 1 1 16 PRO CD C -2.364 20.070 -9.744 1.00 . A A . 16 PRO CD 1 1
8 1552 1 1 16 PRO CG C -3.407 19.973 -10.810 1.00 . A A . 16 PRO CG 1 1
8 1553 1 1 16 PRO HA H -1.772 22.703 -11.542 1.00 . A A . 16 PRO HA 1 1
8 1554 1 1 16 PRO HB2 H -4.070 21.433 -12.222 1.00 . A A . 16 PRO HB2 1 1
8 1555 1 1 16 PRO HB3 H -2.469 20.762 -12.558 1.00 . A A . 16 PRO HB3 1 1
8 1556 1 1 16 PRO HD2 H -2.810 19.874 -8.780 1.00 . A A . 16 PRO HD2 1 1
8 1557 1 1 16 PRO HD3 H -1.556 19.379 -9.935 1.00 . A A . 16 PRO HD3 1 1
8 1558 1 1 16 PRO HG2 H -4.387 20.090 -10.372 1.00 . A A . 16 PRO HG2 1 1
8 1559 1 1 16 PRO HG3 H -3.329 19.018 -11.309 1.00 . A A . 16 PRO HG3 1 1
8 1560 1 1 16 PRO N N -1.894 21.463 -9.832 1.00 . A A . 16 PRO N 1 1
8 1561 1 1 16 PRO O O -4.056 23.996 -11.261 1.00 . A A . 16 PRO O 1 1
8 1562 1 1 17 PHL C C -4.429 24.605 -7.325 1.00 . A A . 17 PHL C 1 1
8 1563 1 1 17 PHL CA C -4.927 23.992 -8.631 1.00 . A A . 17 PHL CA 1 1
8 1564 1 1 17 PHL CB C -6.234 23.234 -8.386 1.00 . A A . 17 PHL CB 1 1
8 1565 1 1 17 PHL CD1 C -6.835 22.179 -10.582 1.00 . A A . 17 PHL CD1 1 1
8 1566 1 1 17 PHL CD2 C -8.185 23.974 -9.779 1.00 . A A . 17 PHL CD2 1 1
8 1567 1 1 17 PHL CE1 C -7.633 22.078 -11.706 1.00 . A A . 17 PHL CE1 1 1
8 1568 1 1 17 PHL CE2 C -8.986 23.877 -10.902 1.00 . A A . 17 PHL CE2 1 1
8 1569 1 1 17 PHL CG C -7.102 23.127 -9.607 1.00 . A A . 17 PHL CG 1 1
8 1570 1 1 17 PHL CZ C -8.709 22.929 -11.867 1.00 . A A . 17 PHL CZ 1 1
8 1571 1 1 17 PHL H H -3.501 22.427 -8.629 1.00 . A A . 17 PHL H 1 1
8 1572 1 1 17 PHL HA H -5.108 24.784 -9.340 1.00 . A A . 17 PHL HA 1 1
8 1573 1 1 17 PHL HB2 H -6.004 22.233 -8.054 1.00 . A A . 17 PHL HB2 1 1
8 1574 1 1 17 PHL HB3 H -6.798 23.743 -7.619 1.00 . A A . 17 PHL HB3 1 1
8 1575 1 1 17 PHL HC1 H -3.360 24.747 -7.383 1.00 . A A . 17 PHL HC1 1 1
8 1576 1 1 17 PHL HC2 H -4.915 25.557 -7.170 1.00 . A A . 17 PHL HC2 1 1
8 1577 1 1 17 PHL HD1 H -5.993 21.513 -10.457 1.00 . A A . 17 PHL HD1 1 1
8 1578 1 1 17 PHL HD2 H -8.402 24.717 -9.026 1.00 . A A . 17 PHL HD2 1 1
8 1579 1 1 17 PHL HE1 H -7.413 21.335 -12.459 1.00 . A A . 17 PHL HE1 1 1
8 1580 1 1 17 PHL HE2 H -9.826 24.544 -11.025 1.00 . A A . 17 PHL HE2 1 1
8 1581 1 1 17 PHL HO H -4.979 24.286 -5.457 1.00 . A A . 17 PHL HO 1 1
8 1582 1 1 17 PHL HZ H -9.333 22.851 -12.744 1.00 . A A . 17 PHL HZ 1 1
8 1583 1 1 17 PHL N N -3.924 23.100 -9.202 1.00 . A A . 17 PHL N 1 1
8 1584 1 1 17 PHL O O -4.721 23.751 -6.211 1.00 . A A . 17 PHL O 1 1
9 1585 1 1 1 ACE C C 1.421 0.897 -2.208 1.00 . A A . 1 ACE C 1 1
9 1586 1 1 1 ACE CH3 C 1.983 -0.079 -1.193 1.00 . A A . 1 ACE CH3 1 1
9 1587 1 1 1 ACE H1 H 2.900 -0.505 -1.571 1.00 . A A . 1 ACE H1 1 1
9 1588 1 1 1 ACE H2 H 1.266 -0.867 -1.014 1.00 . A A . 1 ACE H2 1 1
9 1589 1 1 1 ACE H3 H 2.183 0.441 -0.266 1.00 . A A . 1 ACE H3 1 1
9 1590 1 1 1 ACE O O 1.686 2.097 -2.140 1.00 . A A . 1 ACE O 1 1
9 1591 1 1 2 PHE C C -0.904 2.242 -3.581 1.00 . A A . 2 PHE C 1 1
9 1592 1 1 2 PHE CA C 0.044 1.214 -4.191 1.00 . A A . 2 PHE CA 1 1
9 1593 1 1 2 PHE CB C -0.707 0.346 -5.202 1.00 . A A . 2 PHE CB 1 1
9 1594 1 1 2 PHE CD1 C 0.010 1.335 -7.393 1.00 . A A . 2 PHE CD1 1 1
9 1595 1 1 2 PHE CD2 C -2.299 1.433 -6.808 1.00 . A A . 2 PHE CD2 1 1
9 1596 1 1 2 PHE CE1 C -0.260 1.984 -8.583 1.00 . A A . 2 PHE CE1 1 1
9 1597 1 1 2 PHE CE2 C -2.575 2.082 -7.997 1.00 . A A . 2 PHE CE2 1 1
9 1598 1 1 2 PHE CG C -1.005 1.052 -6.494 1.00 . A A . 2 PHE CG 1 1
9 1599 1 1 2 PHE CZ C -1.554 2.359 -8.885 1.00 . A A . 2 PHE CZ 1 1
9 1600 1 1 2 PHE H H 0.468 -0.584 -3.156 1.00 . A A . 2 PHE H 1 1
9 1601 1 1 2 PHE HA H 0.842 1.734 -4.698 1.00 . A A . 2 PHE HA 1 1
9 1602 1 1 2 PHE HB2 H -0.113 -0.526 -5.430 1.00 . A A . 2 PHE HB2 1 1
9 1603 1 1 2 PHE HB3 H -1.646 0.033 -4.769 1.00 . A A . 2 PHE HB3 1 1
9 1604 1 1 2 PHE HD1 H 1.024 1.042 -7.158 1.00 . A A . 2 PHE HD1 1 1
9 1605 1 1 2 PHE HD2 H -3.099 1.218 -6.114 1.00 . A A . 2 PHE HD2 1 1
9 1606 1 1 2 PHE HE1 H 0.541 2.199 -9.275 1.00 . A A . 2 PHE HE1 1 1
9 1607 1 1 2 PHE HE2 H -3.588 2.374 -8.230 1.00 . A A . 2 PHE HE2 1 1
9 1608 1 1 2 PHE HZ H -1.768 2.865 -9.814 1.00 . A A . 2 PHE HZ 1 1
9 1609 1 1 2 PHE N N 0.643 0.381 -3.154 1.00 . A A . 2 PHE N 1 1
9 1610 1 1 2 PHE O O -0.767 3.443 -3.813 1.00 . A A . 2 PHE O 1 1
9 1611 1 1 3 ABA C C -2.106 3.725 -1.380 1.00 . A A . 3 AIB C 1 1
9 1612 1 1 3 ABA CA C -2.839 2.637 -2.158 1.00 . A A . 3 AIB CA 1 1
9 1613 1 1 3 ABA H H -1.924 0.794 -2.654 1.00 . A A . 3 AIB H 1 1
9 1614 1 1 3 ABA N N -1.866 1.761 -2.801 1.00 . A A . 3 AIB N 1 1
9 1615 1 1 3 ABA O O -2.419 4.909 -1.505 1.00 . A A . 3 AIB O 1 1
9 1616 1 1 4 ABA C C 0.387 5.218 -0.703 1.00 . A A . 4 AIB C 1 1
9 1617 1 1 4 ABA CA C -0.352 4.256 0.221 1.00 . A A . 4 AIB CA 1 1
9 1618 1 1 4 ABA H H -0.927 2.359 -0.520 1.00 . A A . 4 AIB H 1 1
9 1619 1 1 4 ABA N N -1.129 3.316 -0.577 1.00 . A A . 4 AIB N 1 1
9 1620 1 1 4 ABA O O 0.526 6.403 -0.400 1.00 . A A . 4 AIB O 1 1
9 1621 1 1 5 ABA C C 0.724 6.700 -3.215 1.00 . A A . 5 AIB C 1 1
9 1622 1 1 5 ABA CA C 1.586 5.512 -2.801 1.00 . A A . 5 AIB CA 1 1
9 1623 1 1 5 ABA H H 0.718 3.748 -2.017 1.00 . A A . 5 AIB H 1 1
9 1624 1 1 5 ABA N N 0.860 4.699 -1.832 1.00 . A A . 5 AIB N 1 1
9 1625 1 1 5 ABA O O 1.237 7.776 -3.521 1.00 . A A . 5 AIB O 1 1
9 1626 1 1 6 . C C -1.231 8.806 -2.782 1.00 . A A . 6 DIV C 1 1
9 1627 1 1 6 . CA C -1.523 7.552 -3.599 1.00 . A A . 6 DIV CA 1 1
9 1628 1 1 6 . CB1 C -1.365 7.864 -5.083 1.00 . A A . 6 DIV CB1 1 1
9 1629 1 1 6 . CB2 C -2.950 7.088 -3.326 1.00 . A A . 6 DIV CB2 1 1
9 1630 1 1 6 . CG1 C -1.355 6.636 -5.966 1.00 . A A . 6 DIV CG1 1 1
9 1631 1 1 6 . H H -0.939 5.618 -2.968 1.00 . A A . 6 DIV H 1 1
9 1632 1 1 6 . HB11 H -0.440 8.399 -5.239 1.00 . A A . 6 DIV HB11 1 1
9 1633 1 1 6 . HB12 H -2.177 8.501 -5.402 1.00 . A A . 6 DIV HB12 1 1
9 1634 1 1 6 . HB21 H -3.645 7.759 -3.810 1.00 . A A . 6 DIV HB21 1 1
9 1635 1 1 6 . HB22 H -3.132 7.089 -2.261 1.00 . A A . 6 DIV HB22 1 1
9 1636 1 1 6 . HB23 H -3.085 6.089 -3.714 1.00 . A A . 6 DIV HB23 1 1
9 1637 1 1 6 . HG11 H -2.069 5.917 -5.592 1.00 . A A . 6 DIV HG11 1 1
9 1638 1 1 6 . HG12 H -0.367 6.198 -5.962 1.00 . A A . 6 DIV HG12 1 1
9 1639 1 1 6 . HG13 H -1.620 6.915 -6.975 1.00 . A A . 6 DIV HG13 1 1
9 1640 1 1 6 . N N -0.590 6.497 -3.222 1.00 . A A . 6 DIV N 1 1
9 1641 1 1 6 . O O -1.409 9.925 -3.259 1.00 . A A . 6 DIV O 1 1
9 1642 1 1 7 GLY C C 0.478 10.720 -1.332 1.00 . A A . 7 GLY C 1 1
9 1643 1 1 7 GLY CA C -0.471 9.733 -0.682 1.00 . A A . 7 GLY CA 1 1
9 1644 1 1 7 GLY H H -0.659 7.693 -1.218 1.00 . A A . 7 GLY H 1 1
9 1645 1 1 7 GLY HA2 H -1.389 10.244 -0.431 1.00 . A A . 7 GLY HA2 1 1
9 1646 1 1 7 GLY HA3 H -0.019 9.360 0.226 1.00 . A A . 7 GLY HA3 1 1
9 1647 1 1 7 GLY N N -0.781 8.609 -1.546 1.00 . A A . 7 GLY N 1 1
9 1648 1 1 7 GLY O O 0.380 11.927 -1.108 1.00 . A A . 7 GLY O 1 1
9 1649 1 1 8 LEU C C 1.730 11.787 -3.992 1.00 . A A . 8 LEU C 1 1
9 1650 1 1 8 LEU CA C 2.375 11.051 -2.822 1.00 . A A . 8 LEU CA 1 1
9 1651 1 1 8 LEU CB C 3.550 10.208 -3.319 1.00 . A A . 8 LEU CB 1 1
9 1652 1 1 8 LEU CD1 C 5.651 8.961 -2.760 1.00 . A A . 8 LEU CD1 1 1
9 1653 1 1 8 LEU CD2 C 4.394 10.158 -0.959 1.00 . A A . 8 LEU CD2 1 1
9 1654 1 1 8 LEU CG C 4.277 9.378 -2.260 1.00 . A A . 8 LEU CG 1 1
9 1655 1 1 8 LEU H H 1.430 9.237 -2.277 1.00 . A A . 8 LEU H 1 1
9 1656 1 1 8 LEU HA H 2.739 11.779 -2.112 1.00 . A A . 8 LEU HA 1 1
9 1657 1 1 8 LEU HB2 H 3.176 9.531 -4.071 1.00 . A A . 8 LEU HB2 1 1
9 1658 1 1 8 LEU HB3 H 4.270 10.878 -3.767 1.00 . A A . 8 LEU HB3 1 1
9 1659 1 1 8 LEU HD11 H 6.165 9.821 -3.161 1.00 . A A . 8 LEU HD11 1 1
9 1660 1 1 8 LEU HD12 H 5.542 8.213 -3.532 1.00 . A A . 8 LEU HD12 1 1
9 1661 1 1 8 LEU HD13 H 6.222 8.550 -1.940 1.00 . A A . 8 LEU HD13 1 1
9 1662 1 1 8 LEU HD21 H 4.659 11.182 -1.177 1.00 . A A . 8 LEU HD21 1 1
9 1663 1 1 8 LEU HD22 H 5.159 9.713 -0.340 1.00 . A A . 8 LEU HD22 1 1
9 1664 1 1 8 LEU HD23 H 3.449 10.133 -0.438 1.00 . A A . 8 LEU HD23 1 1
9 1665 1 1 8 LEU HG H 3.707 8.480 -2.063 1.00 . A A . 8 LEU HG 1 1
9 1666 1 1 8 LEU N N 1.401 10.207 -2.138 1.00 . A A . 8 LEU N 1 1
9 1667 1 1 8 LEU O O 2.188 12.856 -4.394 1.00 . A A . 8 LEU O 1 1
9 1668 1 1 9 ABA C C -1.008 12.873 -5.138 1.00 . A A . 9 AIB C 1 1
9 1669 1 1 9 ABA CA C -0.046 11.809 -5.656 1.00 . A A . 9 AIB CA 1 1
9 1670 1 1 9 ABA H H 0.346 10.355 -4.168 1.00 . A A . 9 AIB H 1 1
9 1671 1 1 9 ABA N N 0.663 11.207 -4.533 1.00 . A A . 9 AIB N 1 1
9 1672 1 1 9 ABA O O -1.491 13.710 -5.900 1.00 . A A . 9 AIB O 1 1
9 1673 1 1 10 ABA C C -1.661 15.207 -3.446 1.00 . A A . 10 AIB C 1 1
9 1674 1 1 10 ABA CA C -2.187 13.794 -3.219 1.00 . A A . 10 AIB CA 1 1
9 1675 1 1 10 ABA H H -0.867 12.141 -3.283 1.00 . A A . 10 AIB H 1 1
9 1676 1 1 10 ABA N N -1.282 12.833 -3.838 1.00 . A A . 10 AIB N 1 1
9 1677 1 1 10 ABA O O -2.358 16.079 -3.966 1.00 . A A . 10 AIB O 1 1
9 1678 1 1 11 HYP C C 0.211 17.250 -4.638 1.00 . A A . 11 HYP C 1 1
9 1679 1 1 11 HYP CA C 0.246 16.748 -3.199 1.00 . A A . 11 HYP CA 1 1
9 1680 1 1 11 HYP CB C 1.688 16.481 -2.760 1.00 . A A . 11 HYP CB 1 1
9 1681 1 1 11 HYP CD C 0.486 14.449 -2.421 1.00 . A A . 11 HYP CD 1 1
9 1682 1 1 11 HYP CG C 1.604 15.267 -1.901 1.00 . A A . 11 HYP CG 1 1
9 1683 1 1 11 HYP HA H -0.199 17.488 -2.550 1.00 . A A . 11 HYP HA 1 1
9 1684 1 1 11 HYP HB2 H 2.305 16.309 -3.631 1.00 . A A . 11 HYP HB2 1 1
9 1685 1 1 11 HYP HB3 H 2.063 17.330 -2.208 1.00 . A A . 11 HYP HB3 1 1
9 1686 1 1 11 HYP HD1 H 2.524 16.321 -0.509 1.00 . A A . 11 HYP HD1 1 1
9 1687 1 1 11 HYP HD22 H 0.709 13.643 -3.104 1.00 . A A . 11 HYP HD22 1 1
9 1688 1 1 11 HYP HD23 H 0.051 14.064 -1.510 1.00 . A A . 11 HYP HD23 1 1
9 1689 1 1 11 HYP HG H 2.286 14.518 -2.276 1.00 . A A . 11 HYP HG 1 1
9 1690 1 1 11 HYP N N -0.402 15.442 -3.048 1.00 . A A . 11 HYP N 1 1
9 1691 1 1 11 HYP O O 0.404 18.437 -4.895 1.00 . A A . 11 HYP O 1 1
9 1692 1 1 11 HYP OD1 O 1.915 15.579 -0.537 1.00 . A A . 11 HYP OD1 1 1
9 1693 1 1 12 GLN C C -1.507 17.113 -7.383 1.00 . A A . 12 GLN C 1 1
9 1694 1 1 12 GLN CA C -0.097 16.688 -6.986 1.00 . A A . 12 GLN CA 1 1
9 1695 1 1 12 GLN CB C 0.354 15.507 -7.847 1.00 . A A . 12 GLN CB 1 1
9 1696 1 1 12 GLN CD C 2.532 16.394 -8.769 1.00 . A A . 12 GLN CD 1 1
9 1697 1 1 12 GLN CG C 1.864 15.340 -7.909 1.00 . A A . 12 GLN CG 1 1
9 1698 1 1 12 GLN H H -0.182 15.406 -5.305 1.00 . A A . 12 GLN H 1 1
9 1699 1 1 12 GLN HA H 0.575 17.518 -7.150 1.00 . A A . 12 GLN HA 1 1
9 1700 1 1 12 GLN HB2 H -0.071 14.600 -7.443 1.00 . A A . 12 GLN HB2 1 1
9 1701 1 1 12 GLN HB3 H -0.012 15.649 -8.853 1.00 . A A . 12 GLN HB3 1 1
9 1702 1 1 12 GLN HE21 H 2.851 17.532 -7.171 1.00 . A A . 12 GLN HE21 1 1
9 1703 1 1 12 GLN HE22 H 3.414 18.172 -8.673 1.00 . A A . 12 GLN HE22 1 1
9 1704 1 1 12 GLN HG2 H 2.262 15.409 -6.907 1.00 . A A . 12 GLN HG2 1 1
9 1705 1 1 12 GLN HG3 H 2.088 14.366 -8.317 1.00 . A A . 12 GLN HG3 1 1
9 1706 1 1 12 GLN N N -0.037 16.337 -5.572 1.00 . A A . 12 GLN N 1 1
9 1707 1 1 12 GLN NE2 N 2.977 17.476 -8.142 1.00 . A A . 12 GLN NE2 1 1
9 1708 1 1 12 GLN O O -1.709 17.733 -8.426 1.00 . A A . 12 GLN O 1 1
9 1709 1 1 12 GLN OE1 O 2.648 16.237 -9.985 1.00 . A A . 12 GLN OE1 1 1
9 1710 1 1 13 . C C -4.016 18.637 -6.862 1.00 . A A . 13 DIV C 1 1
9 1711 1 1 13 . CA C -3.871 17.120 -6.806 1.00 . A A . 13 DIV CA 1 1
9 1712 1 1 13 . CB1 C -4.301 16.518 -8.140 1.00 . A A . 13 DIV CB1 1 1
9 1713 1 1 13 . CB2 C -4.752 16.566 -5.691 1.00 . A A . 13 DIV CB2 1 1
9 1714 1 1 13 . CG1 C -3.579 15.236 -8.491 1.00 . A A . 13 DIV CG1 1 1
9 1715 1 1 13 . H H -2.256 16.280 -5.727 1.00 . A A . 13 DIV H 1 1
9 1716 1 1 13 . HB11 H -4.120 17.233 -8.929 1.00 . A A . 13 DIV HB11 1 1
9 1717 1 1 13 . HB12 H -5.361 16.311 -8.113 1.00 . A A . 13 DIV HB12 1 1
9 1718 1 1 13 . HB21 H -5.003 17.359 -5.003 1.00 . A A . 13 DIV HB21 1 1
9 1719 1 1 13 . HB22 H -4.220 15.787 -5.165 1.00 . A A . 13 DIV HB22 1 1
9 1720 1 1 13 . HB23 H -5.658 16.158 -6.117 1.00 . A A . 13 DIV HB23 1 1
9 1721 1 1 13 . HG11 H -3.450 14.639 -7.599 1.00 . A A . 13 DIV HG11 1 1
9 1722 1 1 13 . HG12 H -2.611 15.470 -8.909 1.00 . A A . 13 DIV HG12 1 1
9 1723 1 1 13 . HG13 H -4.159 14.682 -9.214 1.00 . A A . 13 DIV HG13 1 1
9 1724 1 1 13 . N N -2.480 16.774 -6.543 1.00 . A A . 13 DIV N 1 1
9 1725 1 1 13 . O O -4.574 19.197 -7.806 1.00 . A A . 13 DIV O 1 1
9 1726 1 1 14 HYP C C -2.449 21.457 -6.528 1.00 . A A . 14 HYP C 1 1
9 1727 1 1 14 HYP CA C -3.563 20.781 -5.737 1.00 . A A . 14 HYP CA 1 1
9 1728 1 1 14 HYP CB C -3.394 21.050 -4.239 1.00 . A A . 14 HYP CB 1 1
9 1729 1 1 14 HYP CD C -2.825 18.717 -4.668 1.00 . A A . 14 HYP CD 1 1
9 1730 1 1 14 HYP CG C -2.684 19.849 -3.716 1.00 . A A . 14 HYP CG 1 1
9 1731 1 1 14 HYP HA H -4.519 21.161 -6.067 1.00 . A A . 14 HYP HA 1 1
9 1732 1 1 14 HYP HB2 H -2.810 21.949 -4.096 1.00 . A A . 14 HYP HB2 1 1
9 1733 1 1 14 HYP HB3 H -4.363 21.167 -3.779 1.00 . A A . 14 HYP HB3 1 1
9 1734 1 1 14 HYP HD1 H -3.271 20.344 -1.898 1.00 . A A . 14 HYP HD1 1 1
9 1735 1 1 14 HYP HD22 H -1.869 18.302 -4.953 1.00 . A A . 14 HYP HD22 1 1
9 1736 1 1 14 HYP HD23 H -3.445 17.960 -4.210 1.00 . A A . 14 HYP HD23 1 1
9 1737 1 1 14 HYP HG H -1.620 20.032 -3.726 1.00 . A A . 14 HYP HG 1 1
9 1738 1 1 14 HYP N N -3.503 19.319 -5.828 1.00 . A A . 14 HYP N 1 1
9 1739 1 1 14 HYP O O -2.400 22.683 -6.626 1.00 . A A . 14 HYP O 1 1
9 1740 1 1 14 HYP OD1 O -3.119 19.532 -2.388 1.00 . A A . 14 HYP OD1 1 1
9 1741 1 1 15 ABA C C -0.979 22.062 -8.992 1.00 . A A . 15 AIB C 1 1
9 1742 1 1 15 ABA CA C -0.443 21.171 -7.876 1.00 . A A . 15 AIB CA 1 1
9 1743 1 1 15 ABA H H -1.648 19.682 -6.978 1.00 . A A . 15 AIB H 1 1
9 1744 1 1 15 ABA N N -1.556 20.650 -7.092 1.00 . A A . 15 AIB N 1 1
9 1745 1 1 15 ABA O O -0.623 23.235 -9.109 1.00 . A A . 15 AIB O 1 1
9 1746 1 1 16 PRO C C -3.526 23.210 -10.497 1.00 . A A . 16 PRO C 1 1
9 1747 1 1 16 PRO CA C -2.462 22.218 -10.954 1.00 . A A . 16 PRO CA 1 1
9 1748 1 1 16 PRO CB C -3.094 21.107 -11.795 1.00 . A A . 16 PRO CB 1 1
9 1749 1 1 16 PRO CD C -2.326 20.100 -9.753 1.00 . A A . 16 PRO CD 1 1
9 1750 1 1 16 PRO CG C -3.360 20.005 -10.829 1.00 . A A . 16 PRO CG 1 1
9 1751 1 1 16 PRO HA H -1.717 22.736 -11.540 1.00 . A A . 16 PRO HA 1 1
9 1752 1 1 16 PRO HB2 H -4.008 21.468 -12.245 1.00 . A A . 16 PRO HB2 1 1
9 1753 1 1 16 PRO HB3 H -2.404 20.797 -12.566 1.00 . A A . 16 PRO HB3 1 1
9 1754 1 1 16 PRO HD2 H -2.783 19.901 -8.794 1.00 . A A . 16 PRO HD2 1 1
9 1755 1 1 16 PRO HD3 H -1.516 19.410 -9.937 1.00 . A A . 16 PRO HD3 1 1
9 1756 1 1 16 PRO HG2 H -4.343 20.121 -10.400 1.00 . A A . 16 PRO HG2 1 1
9 1757 1 1 16 PRO HG3 H -3.277 19.051 -11.328 1.00 . A A . 16 PRO HG3 1 1
9 1758 1 1 16 PRO N N -1.857 21.494 -9.832 1.00 . A A . 16 PRO N 1 1
9 1759 1 1 16 PRO O O -4.001 24.032 -11.281 1.00 . A A . 16 PRO O 1 1
9 1760 1 1 17 PHL C C -4.327 24.840 -7.512 1.00 . A A . 17 PHL C 1 1
9 1761 1 1 17 PHL CA C -4.905 24.019 -8.661 1.00 . A A . 17 PHL CA 1 1
9 1762 1 1 17 PHL CB C -6.111 23.215 -8.172 1.00 . A A . 17 PHL CB 1 1
9 1763 1 1 17 PHL CD1 C -7.721 23.600 -10.058 1.00 . A A . 17 PHL CD1 1 1
9 1764 1 1 17 PHL CD2 C -7.081 21.359 -9.555 1.00 . A A . 17 PHL CD2 1 1
9 1765 1 1 17 PHL CE1 C -8.529 23.143 -11.082 1.00 . A A . 17 PHL CE1 1 1
9 1766 1 1 17 PHL CE2 C -7.887 20.896 -10.577 1.00 . A A . 17 PHL CE2 1 1
9 1767 1 1 17 PHL CG C -6.988 22.715 -9.284 1.00 . A A . 17 PHL CG 1 1
9 1768 1 1 17 PHL CZ C -8.613 21.789 -11.341 1.00 . A A . 17 PHL CZ 1 1
9 1769 1 1 17 PHL H H -3.481 22.453 -8.647 1.00 . A A . 17 PHL H 1 1
9 1770 1 1 17 PHL HA H -5.224 24.692 -9.442 1.00 . A A . 17 PHL HA 1 1
9 1771 1 1 17 PHL HB2 H -5.761 22.358 -7.615 1.00 . A A . 17 PHL HB2 1 1
9 1772 1 1 17 PHL HB3 H -6.712 23.837 -7.527 1.00 . A A . 17 PHL HB3 1 1
9 1773 1 1 17 PHL HC1 H -4.684 24.441 -6.574 1.00 . A A . 17 PHL HC1 1 1
9 1774 1 1 17 PHL HC2 H -3.248 24.785 -7.543 1.00 . A A . 17 PHL HC2 1 1
9 1775 1 1 17 PHL HD1 H -7.656 24.660 -9.855 1.00 . A A . 17 PHL HD1 1 1
9 1776 1 1 17 PHL HD2 H -6.515 20.659 -8.958 1.00 . A A . 17 PHL HD2 1 1
9 1777 1 1 17 PHL HE1 H -9.095 23.845 -11.676 1.00 . A A . 17 PHL HE1 1 1
9 1778 1 1 17 PHL HE2 H -7.951 19.837 -10.778 1.00 . A A . 17 PHL HE2 1 1
9 1779 1 1 17 PHL HO H -5.572 26.271 -8.053 1.00 . A A . 17 PHL HO 1 1
9 1780 1 1 17 PHL HZ H -9.243 21.431 -12.141 1.00 . A A . 17 PHL HZ 1 1
9 1781 1 1 17 PHL N N -3.896 23.129 -9.223 1.00 . A A . 17 PHL N 1 1
9 1782 1 1 17 PHL O O -4.722 26.214 -7.609 1.00 . A A . 17 PHL O 1 1
10 1783 1 1 1 ACE C C 1.689 0.914 -2.101 1.00 . A A . 1 ACE C 1 1
10 1784 1 1 1 ACE CH3 C 2.272 -0.015 -1.054 1.00 . A A . 1 ACE CH3 1 1
10 1785 1 1 1 ACE H1 H 3.348 -0.027 -1.140 1.00 . A A . 1 ACE H1 1 1
10 1786 1 1 1 ACE H2 H 1.887 -1.014 -1.204 1.00 . A A . 1 ACE H2 1 1
10 1787 1 1 1 ACE H3 H 1.993 0.332 -0.069 1.00 . A A . 1 ACE H3 1 1
10 1788 1 1 1 ACE O O 1.928 2.121 -2.072 1.00 . A A . 1 ACE O 1 1
10 1789 1 1 2 PHE C C -0.695 2.132 -3.521 1.00 . A A . 2 PHE C 1 1
10 1790 1 1 2 PHE CA C 0.309 1.136 -4.093 1.00 . A A . 2 PHE CA 1 1
10 1791 1 1 2 PHE CB C -0.386 0.216 -5.100 1.00 . A A . 2 PHE CB 1 1
10 1792 1 1 2 PHE CD1 C 0.315 1.485 -7.148 1.00 . A A . 2 PHE CD1 1 1
10 1793 1 1 2 PHE CD2 C -1.986 0.908 -6.904 1.00 . A A . 2 PHE CD2 1 1
10 1794 1 1 2 PHE CE1 C 0.036 2.101 -8.353 1.00 . A A . 2 PHE CE1 1 1
10 1795 1 1 2 PHE CE2 C -2.271 1.522 -8.110 1.00 . A A . 2 PHE CE2 1 1
10 1796 1 1 2 PHE CG C -0.692 0.883 -6.410 1.00 . A A . 2 PHE CG 1 1
10 1797 1 1 2 PHE CZ C -1.258 2.118 -8.835 1.00 . A A . 2 PHE CZ 1 1
10 1798 1 1 2 PHE H H 0.772 -0.618 -3.001 1.00 . A A . 2 PHE H 1 1
10 1799 1 1 2 PHE HA H 1.092 1.681 -4.597 1.00 . A A . 2 PHE HA 1 1
10 1800 1 1 2 PHE HB2 H 0.252 -0.632 -5.301 1.00 . A A . 2 PHE HB2 1 1
10 1801 1 1 2 PHE HB3 H -1.316 -0.131 -4.677 1.00 . A A . 2 PHE HB3 1 1
10 1802 1 1 2 PHE HD1 H 1.328 1.472 -6.773 1.00 . A A . 2 PHE HD1 1 1
10 1803 1 1 2 PHE HD2 H -2.779 0.441 -6.337 1.00 . A A . 2 PHE HD2 1 1
10 1804 1 1 2 PHE HE1 H 0.829 2.566 -8.919 1.00 . A A . 2 PHE HE1 1 1
10 1805 1 1 2 PHE HE2 H -3.284 1.533 -8.483 1.00 . A A . 2 PHE HE2 1 1
10 1806 1 1 2 PHE HZ H -1.479 2.598 -9.777 1.00 . A A . 2 PHE HZ 1 1
10 1807 1 1 2 PHE N N 0.925 0.350 -3.030 1.00 . A A . 2 PHE N 1 1
10 1808 1 1 2 PHE O O -0.602 3.334 -3.767 1.00 . A A . 2 PHE O 1 1
10 1809 1 1 3 ABA C C -2.009 3.592 -1.368 1.00 . A A . 3 AIB C 1 1
10 1810 1 1 3 ABA CA C -2.678 2.466 -2.150 1.00 . A A . 3 AIB CA 1 1
10 1811 1 1 3 ABA H H -1.678 0.656 -2.598 1.00 . A A . 3 AIB H 1 1
10 1812 1 1 3 ABA N N -1.656 1.622 -2.757 1.00 . A A . 3 AIB N 1 1
10 1813 1 1 3 ABA O O -2.362 4.761 -1.521 1.00 . A A . 3 AIB O 1 1
10 1814 1 1 4 ABA C C 0.408 5.185 -0.642 1.00 . A A . 4 AIB C 1 1
10 1815 1 1 4 ABA CA C -0.324 4.211 0.275 1.00 . A A . 4 AIB CA 1 1
10 1816 1 1 4 ABA H H -0.807 2.283 -0.453 1.00 . A A . 4 AIB H 1 1
10 1817 1 1 4 ABA N N -1.043 3.231 -0.531 1.00 . A A . 4 AIB N 1 1
10 1818 1 1 4 ABA O O 0.489 6.379 -0.357 1.00 . A A . 4 AIB O 1 1
10 1819 1 1 5 ABA C C 0.778 6.645 -3.155 1.00 . A A . 5 AIB C 1 1
10 1820 1 1 5 ABA CA C 1.665 5.490 -2.703 1.00 . A A . 5 AIB CA 1 1
10 1821 1 1 5 ABA H H 0.842 3.706 -1.916 1.00 . A A . 5 AIB H 1 1
10 1822 1 1 5 ABA N N 0.940 4.666 -1.744 1.00 . A A . 5 AIB N 1 1
10 1823 1 1 5 ABA O O 1.266 7.733 -3.458 1.00 . A A . 5 AIB O 1 1
10 1824 1 1 6 . C C -1.253 8.692 -2.801 1.00 . A A . 6 DIV C 1 1
10 1825 1 1 6 . CA C -1.483 7.421 -3.611 1.00 . A A . 6 DIV CA 1 1
10 1826 1 1 6 . CB1 C -1.293 7.722 -5.094 1.00 . A A . 6 DIV CB1 1 1
10 1827 1 1 6 . CB2 C -2.902 6.915 -3.372 1.00 . A A . 6 DIV CB2 1 1
10 1828 1 1 6 . CG1 C -1.219 6.485 -5.962 1.00 . A A . 6 DIV CG1 1 1
10 1829 1 1 6 . H H -0.856 5.513 -2.942 1.00 . A A . 6 DIV H 1 1
10 1830 1 1 6 . HB11 H -0.382 8.284 -5.230 1.00 . A A . 6 DIV HB11 1 1
10 1831 1 1 6 . HB12 H -2.116 8.329 -5.442 1.00 . A A . 6 DIV HB12 1 1
10 1832 1 1 6 . HB21 H -3.128 6.962 -2.317 1.00 . A A . 6 DIV HB21 1 1
10 1833 1 1 6 . HB22 H -2.982 5.893 -3.712 1.00 . A A . 6 DIV HB22 1 1
10 1834 1 1 6 . HB23 H -3.600 7.532 -3.919 1.00 . A A . 6 DIV HB23 1 1
10 1835 1 1 6 . HG11 H -1.563 6.723 -6.958 1.00 . A A . 6 DIV HG11 1 1
10 1836 1 1 6 . HG12 H -1.844 5.711 -5.541 1.00 . A A . 6 DIV HG12 1 1
10 1837 1 1 6 . HG13 H -0.197 6.138 -6.007 1.00 . A A . 6 DIV HG13 1 1
10 1838 1 1 6 . N N -0.527 6.401 -3.196 1.00 . A A . 6 DIV N 1 1
10 1839 1 1 6 . O O -1.452 9.800 -3.296 1.00 . A A . 6 DIV O 1 1
10 1840 1 1 7 GLY C C 0.354 10.675 -1.326 1.00 . A A . 7 GLY C 1 1
10 1841 1 1 7 GLY CA C -0.582 9.665 -0.691 1.00 . A A . 7 GLY CA 1 1
10 1842 1 1 7 GLY H H -0.690 7.615 -1.209 1.00 . A A . 7 GLY H 1 1
10 1843 1 1 7 GLY HA2 H -1.522 10.150 -0.472 1.00 . A A . 7 GLY HA2 1 1
10 1844 1 1 7 GLY HA3 H -0.144 9.317 0.233 1.00 . A A . 7 GLY HA3 1 1
10 1845 1 1 7 GLY N N -0.832 8.523 -1.551 1.00 . A A . 7 GLY N 1 1
10 1846 1 1 7 GLY O O 0.211 11.881 -1.119 1.00 . A A . 7 GLY O 1 1
10 1847 1 1 8 LEU C C 1.646 11.752 -3.963 1.00 . A A . 8 LEU C 1 1
10 1848 1 1 8 LEU CA C 2.280 11.050 -2.766 1.00 . A A . 8 LEU CA 1 1
10 1849 1 1 8 LEU CB C 3.495 10.240 -3.221 1.00 . A A . 8 LEU CB 1 1
10 1850 1 1 8 LEU CD1 C 5.617 9.066 -2.589 1.00 . A A . 8 LEU CD1 1 1
10 1851 1 1 8 LEU CD2 C 4.274 10.242 -0.838 1.00 . A A . 8 LEU CD2 1 1
10 1852 1 1 8 LEU CG C 4.217 9.445 -2.133 1.00 . A A . 8 LEU CG 1 1
10 1853 1 1 8 LEU H H 1.378 9.213 -2.227 1.00 . A A . 8 LEU H 1 1
10 1854 1 1 8 LEU HA H 2.601 11.797 -2.055 1.00 . A A . 8 LEU HA 1 1
10 1855 1 1 8 LEU HB2 H 3.164 9.542 -3.975 1.00 . A A . 8 LEU HB2 1 1
10 1856 1 1 8 LEU HB3 H 4.206 10.928 -3.657 1.00 . A A . 8 LEU HB3 1 1
10 1857 1 1 8 LEU HD11 H 6.179 8.686 -1.750 1.00 . A A . 8 LEU HD11 1 1
10 1858 1 1 8 LEU HD12 H 6.114 9.937 -2.990 1.00 . A A . 8 LEU HD12 1 1
10 1859 1 1 8 LEU HD13 H 5.553 8.306 -3.354 1.00 . A A . 8 LEU HD13 1 1
10 1860 1 1 8 LEU HD21 H 3.322 10.175 -0.333 1.00 . A A . 8 LEU HD21 1 1
10 1861 1 1 8 LEU HD22 H 4.489 11.277 -1.062 1.00 . A A . 8 LEU HD22 1 1
10 1862 1 1 8 LEU HD23 H 5.049 9.842 -0.202 1.00 . A A . 8 LEU HD23 1 1
10 1863 1 1 8 LEU HG H 3.671 8.532 -1.941 1.00 . A A . 8 LEU HG 1 1
10 1864 1 1 8 LEU N N 1.315 10.183 -2.100 1.00 . A A . 8 LEU N 1 1
10 1865 1 1 8 LEU O O 2.081 12.831 -4.365 1.00 . A A . 8 LEU O 1 1
10 1866 1 1 9 ABA C C -1.092 12.739 -5.197 1.00 . A A . 9 AIB C 1 1
10 1867 1 1 9 ABA CA C -0.083 11.700 -5.675 1.00 . A A . 9 AIB CA 1 1
10 1868 1 1 9 ABA H H 0.312 10.276 -4.160 1.00 . A A . 9 AIB H 1 1
10 1869 1 1 9 ABA N N 0.613 11.134 -4.526 1.00 . A A . 9 AIB N 1 1
10 1870 1 1 9 ABA O O -1.579 13.553 -5.981 1.00 . A A . 9 AIB O 1 1
10 1871 1 1 10 ABA C C -1.867 15.069 -3.551 1.00 . A A . 10 AIB C 1 1
10 1872 1 1 10 ABA CA C -2.354 13.642 -3.322 1.00 . A A . 10 AIB CA 1 1
10 1873 1 1 10 ABA H H -0.981 12.031 -3.330 1.00 . A A . 10 AIB H 1 1
10 1874 1 1 10 ABA N N -1.402 12.704 -3.905 1.00 . A A . 10 AIB N 1 1
10 1875 1 1 10 ABA O O -2.576 15.912 -4.101 1.00 . A A . 10 AIB O 1 1
10 1876 1 1 11 HYP C C -0.027 17.157 -4.716 1.00 . A A . 11 HYP C 1 1
10 1877 1 1 11 HYP CA C -0.017 16.672 -3.270 1.00 . A A . 11 HYP CA 1 1
10 1878 1 1 11 HYP CB C 1.420 16.457 -2.788 1.00 . A A . 11 HYP CB 1 1
10 1879 1 1 11 HYP CD C 0.275 14.391 -2.458 1.00 . A A . 11 HYP CD 1 1
10 1880 1 1 11 HYP CG C 1.351 15.250 -1.917 1.00 . A A . 11 HYP CG 1 1
10 1881 1 1 11 HYP HA H -0.502 17.405 -2.642 1.00 . A A . 11 HYP HA 1 1
10 1882 1 1 11 HYP HB2 H 2.067 16.294 -3.639 1.00 . A A . 11 HYP HB2 1 1
10 1883 1 1 11 HYP HB3 H 1.752 17.323 -2.236 1.00 . A A . 11 HYP HB3 1 1
10 1884 1 1 11 HYP HD1 H 1.320 14.845 0.013 1.00 . A A . 11 HYP HD1 1 1
10 1885 1 1 11 HYP HD22 H 0.541 13.585 -3.126 1.00 . A A . 11 HYP HD22 1 1
10 1886 1 1 11 HYP HD23 H -0.173 14.002 -1.556 1.00 . A A . 11 HYP HD23 1 1
10 1887 1 1 11 HYP HG H 2.104 14.541 -2.230 1.00 . A A . 11 HYP HG 1 1
10 1888 1 1 11 HYP N N -0.627 15.347 -3.122 1.00 . A A . 11 HYP N 1 1
10 1889 1 1 11 HYP O O 0.137 18.347 -4.981 1.00 . A A . 11 HYP O 1 1
10 1890 1 1 11 HYP OD1 O 1.542 15.597 -0.540 1.00 . A A . 11 HYP OD1 1 1
10 1891 1 1 12 GLN C C -1.663 16.933 -7.505 1.00 . A A . 12 GLN C 1 1
10 1892 1 1 12 GLN CA C -0.252 16.560 -7.064 1.00 . A A . 12 GLN CA 1 1
10 1893 1 1 12 GLN CB C 0.262 15.385 -7.898 1.00 . A A . 12 GLN CB 1 1
10 1894 1 1 12 GLN CD C 2.449 16.464 -8.556 1.00 . A A . 12 GLN CD 1 1
10 1895 1 1 12 GLN CG C 1.777 15.266 -7.914 1.00 . A A . 12 GLN CG 1 1
10 1896 1 1 12 GLN H H -0.345 15.295 -5.370 1.00 . A A . 12 GLN H 1 1
10 1897 1 1 12 GLN HA H 0.396 17.409 -7.219 1.00 . A A . 12 GLN HA 1 1
10 1898 1 1 12 GLN HB2 H -0.145 14.469 -7.496 1.00 . A A . 12 GLN HB2 1 1
10 1899 1 1 12 GLN HB3 H -0.079 15.505 -8.916 1.00 . A A . 12 GLN HB3 1 1
10 1900 1 1 12 GLN HE21 H 3.283 16.957 -6.819 1.00 . A A . 12 GLN HE21 1 1
10 1901 1 1 12 GLN HE22 H 3.650 17.996 -8.150 1.00 . A A . 12 GLN HE22 1 1
10 1902 1 1 12 GLN HG2 H 2.130 15.178 -6.897 1.00 . A A . 12 GLN HG2 1 1
10 1903 1 1 12 GLN HG3 H 2.050 14.380 -8.467 1.00 . A A . 12 GLN HG3 1 1
10 1904 1 1 12 GLN N N -0.221 16.226 -5.645 1.00 . A A . 12 GLN N 1 1
10 1905 1 1 12 GLN NE2 N 3.203 17.216 -7.762 1.00 . A A . 12 GLN NE2 1 1
10 1906 1 1 12 GLN O O -1.856 17.534 -8.562 1.00 . A A . 12 GLN O 1 1
10 1907 1 1 12 GLN OE1 O 2.292 16.712 -9.752 1.00 . A A . 12 GLN OE1 1 1
10 1908 1 1 13 . C C -4.234 18.380 -7.076 1.00 . A A . 13 DIV C 1 1
10 1909 1 1 13 . CA C -4.042 16.870 -6.994 1.00 . A A . 13 DIV CA 1 1
10 1910 1 1 13 . CB1 C -4.415 16.236 -8.330 1.00 . A A . 13 DIV CB1 1 1
10 1911 1 1 13 . CB2 C -4.935 16.303 -5.895 1.00 . A A . 13 DIV CB2 1 1
10 1912 1 1 13 . CG1 C -3.643 14.973 -8.642 1.00 . A A . 13 DIV CG1 1 1
10 1913 1 1 13 . H H -2.431 16.097 -5.860 1.00 . A A . 13 DIV H 1 1
10 1914 1 1 13 . HB11 H -4.235 16.946 -9.124 1.00 . A A . 13 DIV HB11 1 1
10 1915 1 1 13 . HB12 H -5.468 15.996 -8.329 1.00 . A A . 13 DIV HB12 1 1
10 1916 1 1 13 . HB21 H -4.394 15.546 -5.346 1.00 . A A . 13 DIV HB21 1 1
10 1917 1 1 13 . HB22 H -5.817 15.865 -6.338 1.00 . A A . 13 DIV HB22 1 1
10 1918 1 1 13 . HB23 H -5.226 17.097 -5.223 1.00 . A A . 13 DIV HB23 1 1
10 1919 1 1 13 . HG11 H -4.184 14.392 -9.374 1.00 . A A . 13 DIV HG11 1 1
10 1920 1 1 13 . HG12 H -3.522 14.392 -7.739 1.00 . A A . 13 DIV HG12 1 1
10 1921 1 1 13 . HG13 H -2.671 15.233 -9.035 1.00 . A A . 13 DIV HG13 1 1
10 1922 1 1 13 . N N -2.648 16.573 -6.688 1.00 . A A . 13 DIV N 1 1
10 1923 1 1 13 . O O -4.785 18.909 -8.042 1.00 . A A . 13 DIV O 1 1
10 1924 1 1 14 HYP C C -2.757 21.255 -6.735 1.00 . A A . 14 HYP C 1 1
10 1925 1 1 14 HYP CA C -3.877 20.554 -5.973 1.00 . A A . 14 HYP CA 1 1
10 1926 1 1 14 HYP CB C -3.769 20.849 -4.475 1.00 . A A . 14 HYP CB 1 1
10 1927 1 1 14 HYP CD C -3.099 18.530 -4.856 1.00 . A A . 14 HYP CD 1 1
10 1928 1 1 14 HYP CG C -3.045 19.676 -3.909 1.00 . A A . 14 HYP CG 1 1
10 1929 1 1 14 HYP HA H -4.832 20.899 -6.341 1.00 . A A . 14 HYP HA 1 1
10 1930 1 1 14 HYP HB2 H -3.216 21.765 -4.324 1.00 . A A . 14 HYP HB2 1 1
10 1931 1 1 14 HYP HB3 H -4.757 20.945 -4.051 1.00 . A A . 14 HYP HB3 1 1
10 1932 1 1 14 HYP HD1 H -3.254 18.424 -2.398 1.00 . A A . 14 HYP HD1 1 1
10 1933 1 1 14 HYP HD22 H -2.121 18.150 -5.110 1.00 . A A . 14 HYP HD22 1 1
10 1934 1 1 14 HYP HD23 H -3.703 17.756 -4.406 1.00 . A A . 14 HYP HD23 1 1
10 1935 1 1 14 HYP HG H -2.003 19.928 -3.782 1.00 . A A . 14 HYP HG 1 1
10 1936 1 1 14 HYP N N -3.768 19.094 -6.041 1.00 . A A . 14 HYP N 1 1
10 1937 1 1 14 HYP O O -2.740 22.480 -6.845 1.00 . A A . 14 HYP O 1 1
10 1938 1 1 14 HYP OD1 O -3.613 19.276 -2.655 1.00 . A A . 14 HYP OD1 1 1
10 1939 1 1 15 ABA C C -1.226 21.877 -9.157 1.00 . A A . 15 AIB C 1 1
10 1940 1 1 15 ABA CA C -0.701 21.014 -8.015 1.00 . A A . 15 AIB CA 1 1
10 1941 1 1 15 ABA H H -1.892 19.499 -7.141 1.00 . A A . 15 AIB H 1 1
10 1942 1 1 15 ABA N N -1.824 20.468 -7.262 1.00 . A A . 15 AIB N 1 1
10 1943 1 1 15 ABA O O -0.894 23.056 -9.280 1.00 . A A . 15 AIB O 1 1
10 1944 1 1 16 PRO C C -3.200 23.349 -10.789 1.00 . A A . 16 PRO C 1 1
10 1945 1 1 16 PRO CA C -2.656 21.974 -11.161 1.00 . A A . 16 PRO CA 1 1
10 1946 1 1 16 PRO CB C -3.795 21.047 -11.591 1.00 . A A . 16 PRO CB 1 1
10 1947 1 1 16 PRO CD C -2.505 19.875 -9.928 1.00 . A A . 16 PRO CD 1 1
10 1948 1 1 16 PRO CG C -3.384 19.696 -11.117 1.00 . A A . 16 PRO CG 1 1
10 1949 1 1 16 PRO HA H -1.948 22.076 -11.971 1.00 . A A . 16 PRO HA 1 1
10 1950 1 1 16 PRO HB2 H -4.717 21.365 -11.126 1.00 . A A . 16 PRO HB2 1 1
10 1951 1 1 16 PRO HB3 H -3.900 21.073 -12.666 1.00 . A A . 16 PRO HB3 1 1
10 1952 1 1 16 PRO HD2 H -3.018 19.687 -8.996 1.00 . A A . 16 PRO HD2 1 1
10 1953 1 1 16 PRO HD3 H -1.668 19.202 -10.043 1.00 . A A . 16 PRO HD3 1 1
10 1954 1 1 16 PRO HG2 H -4.255 19.124 -10.837 1.00 . A A . 16 PRO HG2 1 1
10 1955 1 1 16 PRO HG3 H -2.833 19.186 -11.895 1.00 . A A . 16 PRO HG3 1 1
10 1956 1 1 16 PRO N N -2.066 21.278 -10.014 1.00 . A A . 16 PRO N 1 1
10 1957 1 1 16 PRO O O -3.194 24.272 -11.603 1.00 . A A . 16 PRO O 1 1
10 1958 1 1 17 PHL C C -3.134 25.588 -8.410 1.00 . A A . 17 PHL C 1 1
10 1959 1 1 17 PHL CA C -4.218 24.742 -9.072 1.00 . A A . 17 PHL CA 1 1
10 1960 1 1 17 PHL CB C -5.355 24.484 -8.081 1.00 . A A . 17 PHL CB 1 1
10 1961 1 1 17 PHL CD1 C -7.323 25.207 -9.459 1.00 . A A . 17 PHL CD1 1 1
10 1962 1 1 17 PHL CD2 C -7.271 22.966 -8.646 1.00 . A A . 17 PHL CD2 1 1
10 1963 1 1 17 PHL CE1 C -8.539 24.962 -10.069 1.00 . A A . 17 PHL CE1 1 1
10 1964 1 1 17 PHL CE2 C -8.487 22.715 -9.255 1.00 . A A . 17 PHL CE2 1 1
10 1965 1 1 17 PHL CG C -6.676 24.214 -8.742 1.00 . A A . 17 PHL CG 1 1
10 1966 1 1 17 PHL CZ C -9.122 23.714 -9.966 1.00 . A A . 17 PHL CZ 1 1
10 1967 1 1 17 PHL H H -3.647 22.706 -8.949 1.00 . A A . 17 PHL H 1 1
10 1968 1 1 17 PHL HA H -4.608 25.278 -9.923 1.00 . A A . 17 PHL HA 1 1
10 1969 1 1 17 PHL HB2 H -5.107 23.627 -7.474 1.00 . A A . 17 PHL HB2 1 1
10 1970 1 1 17 PHL HB3 H -5.472 25.349 -7.445 1.00 . A A . 17 PHL HB3 1 1
10 1971 1 1 17 PHL HC1 H -3.536 26.048 -7.519 1.00 . A A . 17 PHL HC1 1 1
10 1972 1 1 17 PHL HC2 H -2.299 24.956 -8.148 1.00 . A A . 17 PHL HC2 1 1
10 1973 1 1 17 PHL HD1 H -6.868 26.184 -9.540 1.00 . A A . 17 PHL HD1 1 1
10 1974 1 1 17 PHL HD2 H -6.777 22.184 -8.090 1.00 . A A . 17 PHL HD2 1 1
10 1975 1 1 17 PHL HE1 H -9.033 25.745 -10.625 1.00 . A A . 17 PHL HE1 1 1
10 1976 1 1 17 PHL HE2 H -8.941 21.738 -9.172 1.00 . A A . 17 PHL HE2 1 1
10 1977 1 1 17 PHL HO H -2.085 26.239 -9.949 1.00 . A A . 17 PHL HO 1 1
10 1978 1 1 17 PHL HZ H -10.071 23.520 -10.442 1.00 . A A . 17 PHL HZ 1 1
10 1979 1 1 17 PHL N N -3.669 23.479 -9.552 1.00 . A A . 17 PHL N 1 1
10 1980 1 1 17 PHL O O -2.675 26.618 -9.294 1.00 . A A . 17 PHL O 1 1
11 1981 1 1 1 ACE C C 1.696 0.913 -2.146 1.00 . A A . 1 ACE C 1 1
11 1982 1 1 1 ACE CH3 C 2.298 -0.021 -1.115 1.00 . A A . 1 ACE CH3 1 1
11 1983 1 1 1 ACE H1 H 1.533 -0.681 -0.735 1.00 . A A . 1 ACE H1 1 1
11 1984 1 1 1 ACE H2 H 2.711 0.558 -0.302 1.00 . A A . 1 ACE H2 1 1
11 1985 1 1 1 ACE H3 H 3.082 -0.607 -1.574 1.00 . A A . 1 ACE H3 1 1
11 1986 1 1 1 ACE O O 1.944 2.118 -2.122 1.00 . A A . 1 ACE O 1 1
11 1987 1 1 2 PHE C C -0.716 2.149 -3.504 1.00 . A A . 2 PHE C 1 1
11 1988 1 1 2 PHE CA C 0.266 1.146 -4.102 1.00 . A A . 2 PHE CA 1 1
11 1989 1 1 2 PHE CB C -0.460 0.231 -5.091 1.00 . A A . 2 PHE CB 1 1
11 1990 1 1 2 PHE CD1 C -1.886 1.744 -6.496 1.00 . A A . 2 PHE CD1 1 1
11 1991 1 1 2 PHE CD2 C -0.009 0.687 -7.517 1.00 . A A . 2 PHE CD2 1 1
11 1992 1 1 2 PHE CE1 C -2.194 2.360 -7.694 1.00 . A A . 2 PHE CE1 1 1
11 1993 1 1 2 PHE CE2 C -0.311 1.301 -8.718 1.00 . A A . 2 PHE CE2 1 1
11 1994 1 1 2 PHE CG C -0.792 0.901 -6.394 1.00 . A A . 2 PHE CG 1 1
11 1995 1 1 2 PHE CZ C -1.405 2.139 -8.806 1.00 . A A . 2 PHE CZ 1 1
11 1996 1 1 2 PHE H H 0.744 -0.612 -3.023 1.00 . A A . 2 PHE H 1 1
11 1997 1 1 2 PHE HA H 1.040 1.686 -4.626 1.00 . A A . 2 PHE HA 1 1
11 1998 1 1 2 PHE HB2 H 0.165 -0.622 -5.307 1.00 . A A . 2 PHE HB2 1 1
11 1999 1 1 2 PHE HB3 H -1.383 -0.107 -4.645 1.00 . A A . 2 PHE HB3 1 1
11 2000 1 1 2 PHE HD1 H -2.504 1.918 -5.627 1.00 . A A . 2 PHE HD1 1 1
11 2001 1 1 2 PHE HD2 H 0.848 0.031 -7.449 1.00 . A A . 2 PHE HD2 1 1
11 2002 1 1 2 PHE HE1 H -3.050 3.016 -7.760 1.00 . A A . 2 PHE HE1 1 1
11 2003 1 1 2 PHE HE2 H 0.308 1.126 -9.585 1.00 . A A . 2 PHE HE2 1 1
11 2004 1 1 2 PHE HZ H -1.643 2.620 -9.743 1.00 . A A . 2 PHE HZ 1 1
11 2005 1 1 2 PHE N N 0.904 0.355 -3.056 1.00 . A A . 2 PHE N 1 1
11 2006 1 1 2 PHE O O -0.620 3.351 -3.752 1.00 . A A . 2 PHE O 1 1
11 2007 1 1 3 ABA C C -1.964 3.617 -1.318 1.00 . A A . 3 AIB C 1 1
11 2008 1 1 3 ABA CA C -2.660 2.497 -2.083 1.00 . A A . 3 AIB CA 1 1
11 2009 1 1 3 ABA H H -1.685 0.679 -2.557 1.00 . A A . 3 AIB H 1 1
11 2010 1 1 3 ABA N N -1.660 1.646 -2.716 1.00 . A A . 3 AIB N 1 1
11 2011 1 1 3 ABA O O -2.311 4.789 -1.461 1.00 . A A . 3 AIB O 1 1
11 2012 1 1 4 ABA C C 0.482 5.192 -0.653 1.00 . A A . 4 AIB C 1 1
11 2013 1 1 4 ABA CA C -0.233 4.222 0.282 1.00 . A A . 4 AIB CA 1 1
11 2014 1 1 4 ABA H H -0.748 2.299 -0.434 1.00 . A A . 4 AIB H 1 1
11 2015 1 1 4 ABA N N -0.979 3.248 -0.506 1.00 . A A . 4 AIB N 1 1
11 2016 1 1 4 ABA O O 0.579 6.385 -0.369 1.00 . A A . 4 AIB O 1 1
11 2017 1 1 5 ABA C C 0.799 6.651 -3.174 1.00 . A A . 5 AIB C 1 1
11 2018 1 1 5 ABA CA C 1.689 5.489 -2.745 1.00 . A A . 5 AIB CA 1 1
11 2019 1 1 5 ABA H H 0.873 3.711 -1.938 1.00 . A A . 5 AIB H 1 1
11 2020 1 1 5 ABA N N 0.982 4.670 -1.768 1.00 . A A . 5 AIB N 1 1
11 2021 1 1 5 ABA O O 1.286 7.736 -3.490 1.00 . A A . 5 AIB O 1 1
11 2022 1 1 6 . C C -1.209 8.711 -2.768 1.00 . A A . 6 DIV C 1 1
11 2023 1 1 6 . CA C -1.468 7.442 -3.572 1.00 . A A . 6 DIV CA 1 1
11 2024 1 1 6 . CB1 C -1.314 7.743 -5.059 1.00 . A A . 6 DIV CB1 1 1
11 2025 1 1 6 . CB2 C -2.884 6.946 -3.298 1.00 . A A . 6 DIV CB2 1 1
11 2026 1 1 6 . CG1 C -1.271 6.506 -5.930 1.00 . A A . 6 DIV CG1 1 1
11 2027 1 1 6 . H H -0.837 5.530 -2.920 1.00 . A A . 6 DIV H 1 1
11 2028 1 1 6 . HB11 H -0.402 8.299 -5.218 1.00 . A A . 6 DIV HB11 1 1
11 2029 1 1 6 . HB12 H -2.140 8.356 -5.387 1.00 . A A . 6 DIV HB12 1 1
11 2030 1 1 6 . HB21 H -2.947 5.893 -3.525 1.00 . A A . 6 DIV HB21 1 1
11 2031 1 1 6 . HB22 H -3.582 7.491 -3.916 1.00 . A A . 6 DIV HB22 1 1
11 2032 1 1 6 . HB23 H -3.125 7.105 -2.257 1.00 . A A . 6 DIV HB23 1 1
11 2033 1 1 6 . HG11 H -1.557 6.765 -6.938 1.00 . A A . 6 DIV HG11 1 1
11 2034 1 1 6 . HG12 H -1.956 5.767 -5.540 1.00 . A A . 6 DIV HG12 1 1
11 2035 1 1 6 . HG13 H -0.269 6.102 -5.932 1.00 . A A . 6 DIV HG13 1 1
11 2036 1 1 6 . N N -0.509 6.415 -3.182 1.00 . A A . 6 DIV N 1 1
11 2037 1 1 6 . O O -1.413 9.821 -3.257 1.00 . A A . 6 DIV O 1 1
11 2038 1 1 7 GLY C C 0.449 10.683 -1.335 1.00 . A A . 7 GLY C 1 1
11 2039 1 1 7 GLY CA C -0.477 9.680 -0.676 1.00 . A A . 7 GLY CA 1 1
11 2040 1 1 7 GLY H H -0.613 7.630 -1.191 1.00 . A A . 7 GLY H 1 1
11 2041 1 1 7 GLY HA2 H -1.408 10.170 -0.433 1.00 . A A . 7 GLY HA2 1 1
11 2042 1 1 7 GLY HA3 H -0.018 9.328 0.236 1.00 . A A . 7 GLY HA3 1 1
11 2043 1 1 7 GLY N N -0.757 8.539 -1.529 1.00 . A A . 7 GLY N 1 1
11 2044 1 1 7 GLY O O 0.320 11.890 -1.124 1.00 . A A . 7 GLY O 1 1
11 2045 1 1 8 LEU C C 1.680 11.753 -4.003 1.00 . A A . 8 LEU C 1 1
11 2046 1 1 8 LEU CA C 2.340 11.046 -2.824 1.00 . A A . 8 LEU CA 1 1
11 2047 1 1 8 LEU CB C 3.537 10.227 -3.310 1.00 . A A . 8 LEU CB 1 1
11 2048 1 1 8 LEU CD1 C 5.667 9.039 -2.732 1.00 . A A . 8 LEU CD1 1 1
11 2049 1 1 8 LEU CD2 C 4.376 10.223 -0.947 1.00 . A A . 8 LEU CD2 1 1
11 2050 1 1 8 LEU CG C 4.281 9.427 -2.241 1.00 . A A . 8 LEU CG 1 1
11 2051 1 1 8 LEU H H 1.440 9.215 -2.261 1.00 . A A . 8 LEU H 1 1
11 2052 1 1 8 LEU HA H 2.684 11.790 -2.120 1.00 . A A . 8 LEU HA 1 1
11 2053 1 1 8 LEU HB2 H 3.182 9.533 -4.055 1.00 . A A . 8 LEU HB2 1 1
11 2054 1 1 8 LEU HB3 H 4.242 10.910 -3.763 1.00 . A A . 8 LEU HB3 1 1
11 2055 1 1 8 LEU HD11 H 6.245 8.647 -1.909 1.00 . A A . 8 LEU HD11 1 1
11 2056 1 1 8 LEU HD12 H 6.162 9.909 -3.137 1.00 . A A . 8 LEU HD12 1 1
11 2057 1 1 8 LEU HD13 H 5.579 8.285 -3.501 1.00 . A A . 8 LEU HD13 1 1
11 2058 1 1 8 LEU HD21 H 3.442 10.147 -0.410 1.00 . A A . 8 LEU HD21 1 1
11 2059 1 1 8 LEU HD22 H 4.576 11.259 -1.176 1.00 . A A . 8 LEU HD22 1 1
11 2060 1 1 8 LEU HD23 H 5.175 9.827 -0.338 1.00 . A A . 8 LEU HD23 1 1
11 2061 1 1 8 LEU HG H 3.734 8.517 -2.035 1.00 . A A . 8 LEU HG 1 1
11 2062 1 1 8 LEU N N 1.386 10.185 -2.133 1.00 . A A . 8 LEU N 1 1
11 2063 1 1 8 LEU O O 2.112 12.828 -4.416 1.00 . A A . 8 LEU O 1 1
11 2064 1 1 9 ABA C C -1.082 12.758 -5.166 1.00 . A A . 9 AIB C 1 1
11 2065 1 1 9 ABA CA C -0.092 11.713 -5.671 1.00 . A A . 9 AIB CA 1 1
11 2066 1 1 9 ABA H H 0.332 10.285 -4.167 1.00 . A A . 9 AIB H 1 1
11 2067 1 1 9 ABA N N 0.629 11.141 -4.540 1.00 . A A . 9 AIB N 1 1
11 2068 1 1 9 ABA O O -1.583 13.576 -5.938 1.00 . A A . 9 AIB O 1 1
11 2069 1 1 10 ABA C C -1.798 15.093 -3.501 1.00 . A A . 10 AIB C 1 1
11 2070 1 1 10 ABA CA C -2.289 13.669 -3.260 1.00 . A A . 10 AIB CA 1 1
11 2071 1 1 10 ABA H H -0.927 12.049 -3.304 1.00 . A A . 10 AIB H 1 1
11 2072 1 1 10 ABA N N -1.359 12.725 -3.867 1.00 . A A . 10 AIB N 1 1
11 2073 1 1 10 ABA O O -2.515 15.941 -4.032 1.00 . A A . 10 AIB O 1 1
11 2074 1 1 11 HYP C C 0.026 17.168 -4.712 1.00 . A A . 11 HYP C 1 1
11 2075 1 1 11 HYP CA C 0.070 16.683 -3.267 1.00 . A A . 11 HYP CA 1 1
11 2076 1 1 11 HYP CB C 1.517 16.458 -2.822 1.00 . A A . 11 HYP CB 1 1
11 2077 1 1 11 HYP CD C 0.366 14.400 -2.463 1.00 . A A . 11 HYP CD 1 1
11 2078 1 1 11 HYP CG C 1.462 15.251 -1.950 1.00 . A A . 11 HYP CG 1 1
11 2079 1 1 11 HYP HA H -0.395 17.419 -2.627 1.00 . A A . 11 HYP HA 1 1
11 2080 1 1 11 HYP HB2 H 2.141 16.292 -3.689 1.00 . A A . 11 HYP HB2 1 1
11 2081 1 1 11 HYP HB3 H 1.869 17.322 -2.279 1.00 . A A . 11 HYP HB3 1 1
11 2082 1 1 11 HYP HD1 H 1.072 15.246 -0.016 1.00 . A A . 11 HYP HD1 1 1
11 2083 1 1 11 HYP HD22 H 0.610 13.593 -3.138 1.00 . A A . 11 HYP HD22 1 1
11 2084 1 1 11 HYP HD23 H -0.061 14.014 -1.550 1.00 . A A . 11 HYP HD23 1 1
11 2085 1 1 11 HYP HG H 2.162 14.515 -2.316 1.00 . A A . 11 HYP HG 1 1
11 2086 1 1 11 HYP N N -0.546 15.363 -3.103 1.00 . A A . 11 HYP N 1 1
11 2087 1 1 11 HYP O O 0.191 18.358 -4.981 1.00 . A A . 11 HYP O 1 1
11 2088 1 1 11 HYP OD1 O 1.763 15.585 -0.589 1.00 . A A . 11 HYP OD1 1 1
11 2089 1 1 12 GLN C C -1.683 16.957 -7.458 1.00 . A A . 12 GLN C 1 1
11 2090 1 1 12 GLN CA C -0.263 16.575 -7.054 1.00 . A A . 12 GLN CA 1 1
11 2091 1 1 12 GLN CB C 0.221 15.396 -7.900 1.00 . A A . 12 GLN CB 1 1
11 2092 1 1 12 GLN CD C 2.395 16.443 -8.649 1.00 . A A . 12 GLN CD 1 1
11 2093 1 1 12 GLN CG C 1.734 15.267 -7.956 1.00 . A A . 12 GLN CG 1 1
11 2094 1 1 12 GLN H H -0.322 15.309 -5.359 1.00 . A A . 12 GLN H 1 1
11 2095 1 1 12 GLN HA H 0.387 17.419 -7.225 1.00 . A A . 12 GLN HA 1 1
11 2096 1 1 12 GLN HB2 H -0.182 14.483 -7.488 1.00 . A A . 12 GLN HB2 1 1
11 2097 1 1 12 GLN HB3 H -0.145 15.518 -8.909 1.00 . A A . 12 GLN HB3 1 1
11 2098 1 1 12 GLN HE21 H 2.913 17.218 -6.893 1.00 . A A . 12 GLN HE21 1 1
11 2099 1 1 12 GLN HE22 H 3.390 18.124 -8.284 1.00 . A A . 12 GLN HE22 1 1
11 2100 1 1 12 GLN HG2 H 2.115 15.204 -6.947 1.00 . A A . 12 GLN HG2 1 1
11 2101 1 1 12 GLN HG3 H 1.986 14.364 -8.491 1.00 . A A . 12 GLN HG3 1 1
11 2102 1 1 12 GLN N N -0.198 16.240 -5.636 1.00 . A A . 12 GLN N 1 1
11 2103 1 1 12 GLN NE2 N 2.956 17.354 -7.863 1.00 . A A . 12 GLN NE2 1 1
11 2104 1 1 12 GLN O O -1.898 17.560 -8.510 1.00 . A A . 12 GLN O 1 1
11 2105 1 1 12 GLN OE1 O 2.401 16.530 -9.877 1.00 . A A . 12 GLN OE1 1 1
11 2106 1 1 13 . C C -4.232 18.422 -6.964 1.00 . A A . 13 DIV C 1 1
11 2107 1 1 13 . CA C -4.048 16.910 -6.886 1.00 . A A . 13 DIV CA 1 1
11 2108 1 1 13 . CB1 C -4.460 16.279 -8.212 1.00 . A A . 13 DIV CB1 1 1
11 2109 1 1 13 . CB2 C -4.917 16.349 -5.765 1.00 . A A . 13 DIV CB2 1 1
11 2110 1 1 13 . CG1 C -3.704 15.011 -8.544 1.00 . A A . 13 DIV CG1 1 1
11 2111 1 1 13 . H H -2.414 16.125 -5.794 1.00 . A A . 13 DIV H 1 1
11 2112 1 1 13 . HB11 H -4.295 16.988 -9.011 1.00 . A A . 13 DIV HB11 1 1
11 2113 1 1 13 . HB12 H -5.514 16.046 -8.185 1.00 . A A . 13 DIV HB12 1 1
11 2114 1 1 13 . HB21 H -5.185 17.144 -5.086 1.00 . A A . 13 DIV HB21 1 1
11 2115 1 1 13 . HB22 H -4.367 15.588 -5.231 1.00 . A A . 13 DIV HB22 1 1
11 2116 1 1 13 . HB23 H -5.813 15.917 -6.186 1.00 . A A . 13 DIV HB23 1 1
11 2117 1 1 13 . HG11 H -4.268 14.434 -9.263 1.00 . A A . 13 DIV HG11 1 1
11 2118 1 1 13 . HG12 H -3.565 14.429 -7.645 1.00 . A A . 13 DIV HG12 1 1
11 2119 1 1 13 . HG13 H -2.741 15.264 -8.962 1.00 . A A . 13 DIV HG13 1 1
11 2120 1 1 13 . N N -2.649 16.603 -6.616 1.00 . A A . 13 DIV N 1 1
11 2121 1 1 13 . O O -4.804 18.954 -7.915 1.00 . A A . 13 DIV O 1 1
11 2122 1 1 14 HYP C C -2.728 21.286 -6.660 1.00 . A A . 14 HYP C 1 1
11 2123 1 1 14 HYP CA C -3.832 20.593 -5.869 1.00 . A A . 14 HYP CA 1 1
11 2124 1 1 14 HYP CB C -3.683 20.886 -4.374 1.00 . A A . 14 HYP CB 1 1
11 2125 1 1 14 HYP CD C -3.040 18.563 -4.773 1.00 . A A . 14 HYP CD 1 1
11 2126 1 1 14 HYP CG C -2.953 19.708 -3.828 1.00 . A A . 14 HYP CG 1 1
11 2127 1 1 14 HYP HA H -4.794 20.944 -6.213 1.00 . A A . 14 HYP HA 1 1
11 2128 1 1 14 HYP HB2 H -3.120 21.799 -4.238 1.00 . A A . 14 HYP HB2 1 1
11 2129 1 1 14 HYP HB3 H -4.660 20.988 -3.925 1.00 . A A . 14 HYP HB3 1 1
11 2130 1 1 14 HYP HD1 H -3.068 19.533 -1.865 1.00 . A A . 14 HYP HD1 1 1
11 2131 1 1 14 HYP HD22 H -2.071 18.176 -5.052 1.00 . A A . 14 HYP HD22 1 1
11 2132 1 1 14 HYP HD23 H -3.637 17.792 -4.308 1.00 . A A . 14 HYP HD23 1 1
11 2133 1 1 14 HYP HG H -1.927 19.983 -3.635 1.00 . A A . 14 HYP HG 1 1
11 2134 1 1 14 HYP N N -3.735 19.132 -5.940 1.00 . A A . 14 HYP N 1 1
11 2135 1 1 14 HYP O O -2.706 22.511 -6.770 1.00 . A A . 14 HYP O 1 1
11 2136 1 1 14 HYP OD1 O -3.571 19.232 -2.625 1.00 . A A . 14 HYP OD1 1 1
11 2137 1 1 15 ABA C C -1.255 21.899 -9.120 1.00 . A A . 15 AIB C 1 1
11 2138 1 1 15 ABA CA C -0.706 21.032 -7.991 1.00 . A A . 15 AIB CA 1 1
11 2139 1 1 15 ABA H H -1.885 19.524 -7.087 1.00 . A A . 15 AIB H 1 1
11 2140 1 1 15 ABA N N -1.813 20.493 -7.210 1.00 . A A . 15 AIB N 1 1
11 2141 1 1 15 ABA O O -0.919 23.076 -9.251 1.00 . A A . 15 AIB O 1 1
11 2142 1 1 16 PRO C C -3.259 23.385 -10.700 1.00 . A A . 16 PRO C 1 1
11 2143 1 1 16 PRO CA C -2.735 22.006 -11.087 1.00 . A A . 16 PRO CA 1 1
11 2144 1 1 16 PRO CB C -3.892 21.087 -11.487 1.00 . A A . 16 PRO CB 1 1
11 2145 1 1 16 PRO CD C -2.567 19.906 -9.859 1.00 . A A . 16 PRO CD 1 1
11 2146 1 1 16 PRO CG C -3.478 19.733 -11.024 1.00 . A A . 16 PRO CG 1 1
11 2147 1 1 16 PRO HA H -2.047 22.103 -11.914 1.00 . A A . 16 PRO HA 1 1
11 2148 1 1 16 PRO HB2 H -4.799 21.412 -10.998 1.00 . A A . 16 PRO HB2 1 1
11 2149 1 1 16 PRO HB3 H -4.024 21.114 -12.558 1.00 . A A . 16 PRO HB3 1 1
11 2150 1 1 16 PRO HD2 H -3.056 19.721 -8.914 1.00 . A A . 16 PRO HD2 1 1
11 2151 1 1 16 PRO HD3 H -1.738 19.227 -9.995 1.00 . A A . 16 PRO HD3 1 1
11 2152 1 1 16 PRO HG2 H -4.345 19.168 -10.719 1.00 . A A . 16 PRO HG2 1 1
11 2153 1 1 16 PRO HG3 H -2.952 19.219 -11.815 1.00 . A A . 16 PRO HG3 1 1
11 2154 1 1 16 PRO N N -2.121 21.306 -9.955 1.00 . A A . 16 PRO N 1 1
11 2155 1 1 16 PRO O O -3.267 24.308 -11.514 1.00 . A A . 16 PRO O 1 1
11 2156 1 1 17 PHL C C -3.262 25.420 -7.958 1.00 . A A . 17 PHL C 1 1
11 2157 1 1 17 PHL CA C -4.223 24.784 -8.958 1.00 . A A . 17 PHL CA 1 1
11 2158 1 1 17 PHL CB C -5.590 24.572 -8.303 1.00 . A A . 17 PHL CB 1 1
11 2159 1 1 17 PHL CD1 C -7.177 24.896 -10.220 1.00 . A A . 17 PHL CD1 1 1
11 2160 1 1 17 PHL CD2 C -7.081 22.753 -9.178 1.00 . A A . 17 PHL CD2 1 1
11 2161 1 1 17 PHL CE1 C -8.140 24.431 -11.095 1.00 . A A . 17 PHL CE1 1 1
11 2162 1 1 17 PHL CE2 C -8.044 22.283 -10.051 1.00 . A A . 17 PHL CE2 1 1
11 2163 1 1 17 PHL CG C -6.637 24.063 -9.253 1.00 . A A . 17 PHL CG 1 1
11 2164 1 1 17 PHL CZ C -8.575 23.123 -11.010 1.00 . A A . 17 PHL CZ 1 1
11 2165 1 1 17 PHL H H -3.665 22.745 -8.850 1.00 . A A . 17 PHL H 1 1
11 2166 1 1 17 PHL HA H -4.337 25.447 -9.801 1.00 . A A . 17 PHL HA 1 1
11 2167 1 1 17 PHL HB2 H -5.491 23.853 -7.504 1.00 . A A . 17 PHL HB2 1 1
11 2168 1 1 17 PHL HB3 H -5.936 25.510 -7.897 1.00 . A A . 17 PHL HB3 1 1
11 2169 1 1 17 PHL HC1 H -3.369 24.932 -7.000 1.00 . A A . 17 PHL HC1 1 1
11 2170 1 1 17 PHL HC2 H -2.249 25.303 -8.314 1.00 . A A . 17 PHL HC2 1 1
11 2171 1 1 17 PHL HD1 H -6.838 25.920 -10.287 1.00 . A A . 17 PHL HD1 1 1
11 2172 1 1 17 PHL HD2 H -6.668 22.095 -8.428 1.00 . A A . 17 PHL HD2 1 1
11 2173 1 1 17 PHL HE1 H -8.553 25.091 -11.844 1.00 . A A . 17 PHL HE1 1 1
11 2174 1 1 17 PHL HE2 H -8.382 21.259 -9.983 1.00 . A A . 17 PHL HE2 1 1
11 2175 1 1 17 PHL HO H -4.139 26.943 -7.061 1.00 . A A . 17 PHL HO 1 1
11 2176 1 1 17 PHL HZ H -9.327 22.758 -11.694 1.00 . A A . 17 PHL HZ 1 1
11 2177 1 1 17 PHL N N -3.697 23.517 -9.452 1.00 . A A . 17 PHL N 1 1
11 2178 1 1 17 PHL O O -3.536 26.817 -7.797 1.00 . A A . 17 PHL O 1 1
12 2179 1 1 1 ACE C C 1.767 0.902 -2.152 1.00 . A A . 1 ACE C 1 1
12 2180 1 1 1 ACE CH3 C 2.365 -0.029 -1.117 1.00 . A A . 1 ACE CH3 1 1
12 2181 1 1 1 ACE H1 H 2.134 0.335 -0.127 1.00 . A A . 1 ACE H1 1 1
12 2182 1 1 1 ACE H2 H 3.437 -0.070 -1.244 1.00 . A A . 1 ACE H2 1 1
12 2183 1 1 1 ACE H3 H 1.952 -1.020 -1.241 1.00 . A A . 1 ACE H3 1 1
12 2184 1 1 1 ACE O O 2.003 2.110 -2.121 1.00 . A A . 1 ACE O 1 1
12 2185 1 1 2 PHE C C -0.640 2.120 -3.534 1.00 . A A . 2 PHE C 1 1
12 2186 1 1 2 PHE CA C 0.358 1.129 -4.124 1.00 . A A . 2 PHE CA 1 1
12 2187 1 1 2 PHE CB C -0.347 0.211 -5.124 1.00 . A A . 2 PHE CB 1 1
12 2188 1 1 2 PHE CD1 C 0.332 1.476 -7.182 1.00 . A A . 2 PHE CD1 1 1
12 2189 1 1 2 PHE CD2 C -1.969 0.917 -6.904 1.00 . A A . 2 PHE CD2 1 1
12 2190 1 1 2 PHE CE1 C 0.040 2.093 -8.384 1.00 . A A . 2 PHE CE1 1 1
12 2191 1 1 2 PHE CE2 C -2.267 1.532 -8.105 1.00 . A A . 2 PHE CE2 1 1
12 2192 1 1 2 PHE CG C -0.668 0.881 -6.430 1.00 . A A . 2 PHE CG 1 1
12 2193 1 1 2 PHE CZ C -1.261 2.122 -8.846 1.00 . A A . 2 PHE CZ 1 1
12 2194 1 1 2 PHE H H 0.840 -0.628 -3.045 1.00 . A A . 2 PHE H 1 1
12 2195 1 1 2 PHE HA H 1.133 1.678 -4.636 1.00 . A A . 2 PHE HA 1 1
12 2196 1 1 2 PHE HB2 H 0.288 -0.637 -5.334 1.00 . A A . 2 PHE HB2 1 1
12 2197 1 1 2 PHE HB3 H -1.273 -0.136 -4.692 1.00 . A A . 2 PHE HB3 1 1
12 2198 1 1 2 PHE HD1 H 1.351 1.454 -6.822 1.00 . A A . 2 PHE HD1 1 1
12 2199 1 1 2 PHE HD2 H -2.757 0.457 -6.325 1.00 . A A . 2 PHE HD2 1 1
12 2200 1 1 2 PHE HE1 H 0.829 2.553 -8.960 1.00 . A A . 2 PHE HE1 1 1
12 2201 1 1 2 PHE HE2 H -3.285 1.554 -8.463 1.00 . A A . 2 PHE HE2 1 1
12 2202 1 1 2 PHE HZ H -1.491 2.603 -9.784 1.00 . A A . 2 PHE HZ 1 1
12 2203 1 1 2 PHE N N 0.991 0.340 -3.073 1.00 . A A . 2 PHE N 1 1
12 2204 1 1 2 PHE O O -0.553 3.324 -3.776 1.00 . A A . 2 PHE O 1 1
12 2205 1 1 3 ABA C C -1.928 3.569 -1.358 1.00 . A A . 3 AIB C 1 1
12 2206 1 1 3 ABA CA C -2.605 2.444 -2.135 1.00 . A A . 3 AIB CA 1 1
12 2207 1 1 3 ABA H H -1.606 0.638 -2.603 1.00 . A A . 3 AIB H 1 1
12 2208 1 1 3 ABA N N -1.589 1.605 -2.759 1.00 . A A . 3 AIB N 1 1
12 2209 1 1 3 ABA O O -2.285 4.737 -1.501 1.00 . A A . 3 AIB O 1 1
12 2210 1 1 4 ABA C C 0.495 5.164 -0.658 1.00 . A A . 4 AIB C 1 1
12 2211 1 1 4 ABA CA C -0.223 4.185 0.265 1.00 . A A . 4 AIB CA 1 1
12 2212 1 1 4 ABA H H -0.710 2.259 -0.465 1.00 . A A . 4 AIB H 1 1
12 2213 1 1 4 ABA N N -0.949 3.206 -0.535 1.00 . A A . 4 AIB N 1 1
12 2214 1 1 4 ABA O O 0.577 6.358 -0.369 1.00 . A A . 4 AIB O 1 1
12 2215 1 1 5 ABA C C 0.827 6.635 -3.170 1.00 . A A . 5 AIB C 1 1
12 2216 1 1 5 ABA CA C 1.724 5.481 -2.735 1.00 . A A . 5 AIB CA 1 1
12 2217 1 1 5 ABA H H 0.915 3.692 -1.943 1.00 . A A . 5 AIB H 1 1
12 2218 1 1 5 ABA N N 1.013 4.651 -1.769 1.00 . A A . 5 AIB N 1 1
12 2219 1 1 5 ABA O O 1.308 7.726 -3.476 1.00 . A A . 5 AIB O 1 1
12 2220 1 1 6 . C C -1.204 8.675 -2.781 1.00 . A A . 6 DIV C 1 1
12 2221 1 1 6 . CA C -1.442 7.406 -3.593 1.00 . A A . 6 DIV CA 1 1
12 2222 1 1 6 . CB1 C -1.273 7.714 -5.077 1.00 . A A . 6 DIV CB1 1 1
12 2223 1 1 6 . CB2 C -2.856 6.896 -3.337 1.00 . A A . 6 DIV CB2 1 1
12 2224 1 1 6 . CG1 C -1.207 6.480 -5.951 1.00 . A A . 6 DIV CG1 1 1
12 2225 1 1 6 . H H -0.801 5.498 -2.940 1.00 . A A . 6 DIV H 1 1
12 2226 1 1 6 . HB11 H -0.364 8.279 -5.223 1.00 . A A . 6 DIV HB11 1 1
12 2227 1 1 6 . HB12 H -2.101 8.320 -5.412 1.00 . A A . 6 DIV HB12 1 1
12 2228 1 1 6 . HB21 H -3.024 6.818 -2.273 1.00 . A A . 6 DIV HB21 1 1
12 2229 1 1 6 . HB22 H -2.976 5.924 -3.792 1.00 . A A . 6 DIV HB22 1 1
12 2230 1 1 6 . HB23 H -3.570 7.585 -3.765 1.00 . A A . 6 DIV HB23 1 1
12 2231 1 1 6 . HG11 H -0.232 6.024 -5.857 1.00 . A A . 6 DIV HG11 1 1
12 2232 1 1 6 . HG12 H -1.376 6.759 -6.980 1.00 . A A . 6 DIV HG12 1 1
12 2233 1 1 6 . HG13 H -1.965 5.777 -5.639 1.00 . A A . 6 DIV HG13 1 1
12 2234 1 1 6 . N N -0.478 6.387 -3.195 1.00 . A A . 6 DIV N 1 1
12 2235 1 1 6 . O O -1.413 9.785 -3.269 1.00 . A A . 6 DIV O 1 1
12 2236 1 1 7 GLY C C 0.417 10.657 -1.321 1.00 . A A . 7 GLY C 1 1
12 2237 1 1 7 GLY CA C -0.507 9.643 -0.677 1.00 . A A . 7 GLY CA 1 1
12 2238 1 1 7 GLY H H -0.617 7.594 -1.201 1.00 . A A . 7 GLY H 1 1
12 2239 1 1 7 GLY HA2 H -1.445 10.123 -0.443 1.00 . A A . 7 GLY HA2 1 1
12 2240 1 1 7 GLY HA3 H -0.056 9.292 0.239 1.00 . A A . 7 GLY HA3 1 1
12 2241 1 1 7 GLY N N -0.766 8.503 -1.537 1.00 . A A . 7 GLY N 1 1
12 2242 1 1 7 GLY O O 0.274 11.862 -1.108 1.00 . A A . 7 GLY O 1 1
12 2243 1 1 8 LEU C C 1.670 11.748 -3.971 1.00 . A A . 8 LEU C 1 1
12 2244 1 1 8 LEU CA C 2.323 11.043 -2.786 1.00 . A A . 8 LEU CA 1 1
12 2245 1 1 8 LEU CB C 3.533 10.238 -3.260 1.00 . A A . 8 LEU CB 1 1
12 2246 1 1 8 LEU CD1 C 5.668 9.067 -2.661 1.00 . A A . 8 LEU CD1 1 1
12 2247 1 1 8 LEU CD2 C 4.344 10.233 -0.888 1.00 . A A . 8 LEU CD2 1 1
12 2248 1 1 8 LEU CG C 4.272 9.440 -2.185 1.00 . A A . 8 LEU CG 1 1
12 2249 1 1 8 LEU H H 1.433 9.202 -2.241 1.00 . A A . 8 LEU H 1 1
12 2250 1 1 8 LEU HA H 2.651 11.788 -2.076 1.00 . A A . 8 LEU HA 1 1
12 2251 1 1 8 LEU HB2 H 3.194 9.542 -4.012 1.00 . A A . 8 LEU HB2 1 1
12 2252 1 1 8 LEU HB3 H 4.237 10.929 -3.702 1.00 . A A . 8 LEU HB3 1 1
12 2253 1 1 8 LEU HD11 H 6.240 8.681 -1.831 1.00 . A A . 8 LEU HD11 1 1
12 2254 1 1 8 LEU HD12 H 6.158 9.943 -3.059 1.00 . A A . 8 LEU HD12 1 1
12 2255 1 1 8 LEU HD13 H 5.595 8.314 -3.432 1.00 . A A . 8 LEU HD13 1 1
12 2256 1 1 8 LEU HD21 H 4.507 11.277 -1.113 1.00 . A A . 8 LEU HD21 1 1
12 2257 1 1 8 LEU HD22 H 5.160 9.863 -0.284 1.00 . A A . 8 LEU HD22 1 1
12 2258 1 1 8 LEU HD23 H 3.416 10.122 -0.347 1.00 . A A . 8 LEU HD23 1 1
12 2259 1 1 8 LEU HG H 3.731 8.525 -1.989 1.00 . A A . 8 LEU HG 1 1
12 2260 1 1 8 LEU N N 1.369 10.170 -2.109 1.00 . A A . 8 LEU N 1 1
12 2261 1 1 8 LEU O O 2.097 12.829 -4.374 1.00 . A A . 8 LEU O 1 1
12 2262 1 1 9 ABA C C -1.087 12.731 -5.164 1.00 . A A . 9 AIB C 1 1
12 2263 1 1 9 ABA CA C -0.081 11.698 -5.660 1.00 . A A . 9 AIB CA 1 1
12 2264 1 1 9 ABA H H 0.338 10.269 -4.156 1.00 . A A . 9 AIB H 1 1
12 2265 1 1 9 ABA N N 0.632 11.129 -4.522 1.00 . A A . 9 AIB N 1 1
12 2266 1 1 9 ABA O O -1.586 13.547 -5.938 1.00 . A A . 9 AIB O 1 1
12 2267 1 1 10 ABA C C -1.845 15.053 -3.499 1.00 . A A . 10 AIB C 1 1
12 2268 1 1 10 ABA CA C -2.325 13.624 -3.269 1.00 . A A . 10 AIB CA 1 1
12 2269 1 1 10 ABA H H -0.948 12.017 -3.302 1.00 . A A . 10 AIB H 1 1
12 2270 1 1 10 ABA N N -1.379 12.691 -3.868 1.00 . A A . 10 AIB N 1 1
12 2271 1 1 10 ABA O O -2.564 15.897 -4.036 1.00 . A A . 10 AIB O 1 1
12 2272 1 1 11 HYP C C -0.027 17.150 -4.681 1.00 . A A . 11 HYP C 1 1
12 2273 1 1 11 HYP CA C 0.004 16.660 -3.237 1.00 . A A . 11 HYP CA 1 1
12 2274 1 1 11 HYP CB C 1.448 16.447 -2.776 1.00 . A A . 11 HYP CB 1 1
12 2275 1 1 11 HYP CD C 0.313 14.377 -2.438 1.00 . A A . 11 HYP CD 1 1
12 2276 1 1 11 HYP CG C 1.394 15.237 -1.908 1.00 . A A . 11 HYP CG 1 1
12 2277 1 1 11 HYP HA H -0.475 17.390 -2.600 1.00 . A A . 11 HYP HA 1 1
12 2278 1 1 11 HYP HB2 H 2.084 16.290 -3.636 1.00 . A A . 11 HYP HB2 1 1
12 2279 1 1 11 HYP HB3 H 1.785 17.312 -2.225 1.00 . A A . 11 HYP HB3 1 1
12 2280 1 1 11 HYP HD1 H 0.799 15.937 -0.162 1.00 . A A . 11 HYP HD1 1 1
12 2281 1 1 11 HYP HD22 H 0.573 13.575 -3.113 1.00 . A A . 11 HYP HD22 1 1
12 2282 1 1 11 HYP HD23 H -0.122 13.984 -1.531 1.00 . A A . 11 HYP HD23 1 1
12 2283 1 1 11 HYP HG H 2.141 14.530 -2.237 1.00 . A A . 11 HYP HG 1 1
12 2284 1 1 11 HYP N N -0.600 15.334 -3.085 1.00 . A A . 11 HYP N 1 1
12 2285 1 1 11 HYP O O 0.130 18.342 -4.944 1.00 . A A . 11 HYP O 1 1
12 2286 1 1 11 HYP OD1 O 1.609 15.579 -0.533 1.00 . A A . 11 HYP OD1 1 1
12 2287 1 1 12 GLN C C -1.700 16.933 -7.448 1.00 . A A . 12 GLN C 1 1
12 2288 1 1 12 GLN CA C -0.282 16.562 -7.028 1.00 . A A . 12 GLN CA 1 1
12 2289 1 1 12 GLN CB C 0.223 15.391 -7.873 1.00 . A A . 12 GLN CB 1 1
12 2290 1 1 12 GLN CD C 2.381 16.329 -8.792 1.00 . A A . 12 GLN CD 1 1
12 2291 1 1 12 GLN CG C 1.739 15.277 -7.910 1.00 . A A . 12 GLN CG 1 1
12 2292 1 1 12 GLN H H -0.349 15.290 -5.338 1.00 . A A . 12 GLN H 1 1
12 2293 1 1 12 GLN HA H 0.362 17.414 -7.189 1.00 . A A . 12 GLN HA 1 1
12 2294 1 1 12 GLN HB2 H -0.176 14.473 -7.469 1.00 . A A . 12 GLN HB2 1 1
12 2295 1 1 12 GLN HB3 H -0.132 15.514 -8.885 1.00 . A A . 12 GLN HB3 1 1
12 2296 1 1 12 GLN HE21 H 2.933 17.370 -7.191 1.00 . A A . 12 GLN HE21 1 1
12 2297 1 1 12 GLN HE22 H 3.379 18.047 -8.717 1.00 . A A . 12 GLN HE22 1 1
12 2298 1 1 12 GLN HG2 H 2.120 15.390 -6.906 1.00 . A A . 12 GLN HG2 1 1
12 2299 1 1 12 GLN HG3 H 2.004 14.300 -8.287 1.00 . A A . 12 GLN HG3 1 1
12 2300 1 1 12 GLN N N -0.231 16.223 -5.611 1.00 . A A . 12 GLN N 1 1
12 2301 1 1 12 GLN NE2 N 2.955 17.353 -8.171 1.00 . A A . 12 GLN NE2 1 1
12 2302 1 1 12 GLN O O -1.909 17.537 -8.500 1.00 . A A . 12 GLN O 1 1
12 2303 1 1 12 GLN OE1 O 2.362 16.223 -10.019 1.00 . A A . 12 GLN OE1 1 1
12 2304 1 1 13 . C C -4.269 18.371 -6.979 1.00 . A A . 13 DIV C 1 1
12 2305 1 1 13 . CA C -4.072 16.861 -6.905 1.00 . A A . 13 DIV CA 1 1
12 2306 1 1 13 . CB1 C -4.461 16.231 -8.238 1.00 . A A . 13 DIV CB1 1 1
12 2307 1 1 13 . CB2 C -4.948 16.288 -5.797 1.00 . A A . 13 DIV CB2 1 1
12 2308 1 1 13 . CG1 C -3.690 14.971 -8.565 1.00 . A A . 13 DIV CG1 1 1
12 2309 1 1 13 . H H -2.443 16.088 -5.796 1.00 . A A . 13 DIV H 1 1
12 2310 1 1 13 . HB11 H -4.294 16.944 -9.032 1.00 . A A . 13 DIV HB11 1 1
12 2311 1 1 13 . HB12 H -5.513 15.988 -8.224 1.00 . A A . 13 DIV HB12 1 1
12 2312 1 1 13 . HB21 H -4.398 15.530 -5.258 1.00 . A A . 13 DIV HB21 1 1
12 2313 1 1 13 . HB22 H -5.835 15.849 -6.230 1.00 . A A . 13 DIV HB22 1 1
12 2314 1 1 13 . HB23 H -5.232 17.078 -5.117 1.00 . A A . 13 DIV HB23 1 1
12 2315 1 1 13 . HG11 H -4.239 14.391 -9.292 1.00 . A A . 13 DIV HG11 1 1
12 2316 1 1 13 . HG12 H -3.556 14.388 -7.666 1.00 . A A . 13 DIV HG12 1 1
12 2317 1 1 13 . HG13 H -2.724 15.235 -8.970 1.00 . A A . 13 DIV HG13 1 1
12 2318 1 1 13 . N N -2.673 16.567 -6.619 1.00 . A A . 13 DIV N 1 1
12 2319 1 1 13 . O O -4.835 18.902 -7.935 1.00 . A A . 13 DIV O 1 1
12 2320 1 1 14 HYP C C -2.796 21.248 -6.648 1.00 . A A . 14 HYP C 1 1
12 2321 1 1 14 HYP CA C -3.903 20.542 -5.873 1.00 . A A . 14 HYP CA 1 1
12 2322 1 1 14 HYP CB C -3.775 20.831 -4.375 1.00 . A A . 14 HYP CB 1 1
12 2323 1 1 14 HYP CD C -3.105 18.516 -4.774 1.00 . A A . 14 HYP CD 1 1
12 2324 1 1 14 HYP CG C -3.041 19.658 -3.824 1.00 . A A . 14 HYP CG 1 1
12 2325 1 1 14 HYP HA H -4.864 20.885 -6.227 1.00 . A A . 14 HYP HA 1 1
12 2326 1 1 14 HYP HB2 H -3.223 21.749 -4.229 1.00 . A A . 14 HYP HB2 1 1
12 2327 1 1 14 HYP HB3 H -4.758 20.923 -3.937 1.00 . A A . 14 HYP HB3 1 1
12 2328 1 1 14 HYP HD1 H -3.548 20.040 -1.956 1.00 . A A . 14 HYP HD1 1 1
12 2329 1 1 14 HYP HD22 H -2.129 18.139 -5.042 1.00 . A A . 14 HYP HD22 1 1
12 2330 1 1 14 HYP HD23 H -3.700 17.738 -4.318 1.00 . A A . 14 HYP HD23 1 1
12 2331 1 1 14 HYP HG H -1.991 19.901 -3.743 1.00 . A A . 14 HYP HG 1 1
12 2332 1 1 14 HYP N N -3.791 19.082 -5.947 1.00 . A A . 14 HYP N 1 1
12 2333 1 1 14 HYP O O -2.784 22.474 -6.753 1.00 . A A . 14 HYP O 1 1
12 2334 1 1 14 HYP OD1 O -3.560 19.281 -2.543 1.00 . A A . 14 HYP OD1 1 1
12 2335 1 1 15 ABA C C -1.300 21.884 -9.087 1.00 . A A . 15 AIB C 1 1
12 2336 1 1 15 ABA CA C -0.756 21.018 -7.956 1.00 . A A . 15 AIB CA 1 1
12 2337 1 1 15 ABA H H -1.931 19.496 -7.071 1.00 . A A . 15 AIB H 1 1
12 2338 1 1 15 ABA N N -1.867 20.467 -7.189 1.00 . A A . 15 AIB N 1 1
12 2339 1 1 15 ABA O O -0.973 23.065 -9.210 1.00 . A A . 15 AIB O 1 1
12 2340 1 1 16 PRO C C -3.299 23.356 -10.687 1.00 . A A . 16 PRO C 1 1
12 2341 1 1 16 PRO CA C -2.757 21.984 -11.072 1.00 . A A . 16 PRO CA 1 1
12 2342 1 1 16 PRO CB C -3.900 21.055 -11.490 1.00 . A A . 16 PRO CB 1 1
12 2343 1 1 16 PRO CD C -2.584 19.881 -9.849 1.00 . A A . 16 PRO CD 1 1
12 2344 1 1 16 PRO CG C -3.478 19.704 -11.026 1.00 . A A . 16 PRO CG 1 1
12 2345 1 1 16 PRO HA H -2.060 22.091 -11.890 1.00 . A A . 16 PRO HA 1 1
12 2346 1 1 16 PRO HB2 H -4.816 21.370 -11.010 1.00 . A A . 16 PRO HB2 1 1
12 2347 1 1 16 PRO HB3 H -4.019 21.085 -12.562 1.00 . A A . 16 PRO HB3 1 1
12 2348 1 1 16 PRO HD2 H -3.083 19.689 -8.911 1.00 . A A . 16 PRO HD2 1 1
12 2349 1 1 16 PRO HD3 H -1.746 19.211 -9.978 1.00 . A A . 16 PRO HD3 1 1
12 2350 1 1 16 PRO HG2 H -4.344 19.129 -10.735 1.00 . A A . 16 PRO HG2 1 1
12 2351 1 1 16 PRO HG3 H -2.938 19.198 -11.813 1.00 . A A . 16 PRO HG3 1 1
12 2352 1 1 16 PRO N N -2.150 21.286 -9.935 1.00 . A A . 16 PRO N 1 1
12 2353 1 1 16 PRO O O -3.306 24.282 -11.498 1.00 . A A . 16 PRO O 1 1
12 2354 1 1 17 PHL C C -3.318 25.422 -8.000 1.00 . A A . 17 PHL C 1 1
12 2355 1 1 17 PHL CA C -4.297 24.740 -8.951 1.00 . A A . 17 PHL CA 1 1
12 2356 1 1 17 PHL CB C -5.631 24.500 -8.241 1.00 . A A . 17 PHL CB 1 1
12 2357 1 1 17 PHL CD1 C -7.137 25.244 -10.106 1.00 . A A . 17 PHL CD1 1 1
12 2358 1 1 17 PHL CD2 C -7.502 23.093 -9.145 1.00 . A A . 17 PHL CD2 1 1
12 2359 1 1 17 PHL CE1 C -8.192 25.040 -10.974 1.00 . A A . 17 PHL CE1 1 1
12 2360 1 1 17 PHL CE2 C -8.558 22.883 -10.011 1.00 . A A . 17 PHL CE2 1 1
12 2361 1 1 17 PHL CG C -6.779 24.275 -9.183 1.00 . A A . 17 PHL CG 1 1
12 2362 1 1 17 PHL CZ C -8.905 23.858 -10.926 1.00 . A A . 17 PHL CZ 1 1
12 2363 1 1 17 PHL H H -3.720 22.706 -8.843 1.00 . A A . 17 PHL H 1 1
12 2364 1 1 17 PHL HA H -4.462 25.384 -9.801 1.00 . A A . 17 PHL HA 1 1
12 2365 1 1 17 PHL HB2 H -5.544 23.628 -7.611 1.00 . A A . 17 PHL HB2 1 1
12 2366 1 1 17 PHL HB3 H -5.865 25.359 -7.630 1.00 . A A . 17 PHL HB3 1 1
12 2367 1 1 17 PHL HC1 H -3.614 26.451 -7.862 1.00 . A A . 17 PHL HC1 1 1
12 2368 1 1 17 PHL HC2 H -3.329 24.909 -7.050 1.00 . A A . 17 PHL HC2 1 1
12 2369 1 1 17 PHL HD1 H -6.580 26.170 -10.144 1.00 . A A . 17 PHL HD1 1 1
12 2370 1 1 17 PHL HD2 H -7.233 22.330 -8.430 1.00 . A A . 17 PHL HD2 1 1
12 2371 1 1 17 PHL HE1 H -8.460 25.805 -11.688 1.00 . A A . 17 PHL HE1 1 1
12 2372 1 1 17 PHL HE2 H -9.114 21.958 -9.971 1.00 . A A . 17 PHL HE2 1 1
12 2373 1 1 17 PHL HO H -1.356 25.348 -7.801 1.00 . A A . 17 PHL HO 1 1
12 2374 1 1 17 PHL HZ H -9.729 23.696 -11.604 1.00 . A A . 17 PHL HZ 1 1
12 2375 1 1 17 PHL N N -3.752 23.480 -9.444 1.00 . A A . 17 PHL N 1 1
12 2376 1 1 17 PHL O O -1.985 25.391 -8.525 1.00 . A A . 17 PHL O 1 1
13 2377 1 1 1 ACE C C 1.705 0.912 -2.091 1.00 . A A . 1 ACE C 1 1
13 2378 1 1 1 ACE CH3 C 2.281 -0.015 -1.039 1.00 . A A . 1 ACE CH3 1 1
13 2379 1 1 1 ACE H1 H 2.373 0.514 -0.102 1.00 . A A . 1 ACE H1 1 1
13 2380 1 1 1 ACE H2 H 3.255 -0.359 -1.355 1.00 . A A . 1 ACE H2 1 1
13 2381 1 1 1 ACE H3 H 1.625 -0.864 -0.909 1.00 . A A . 1 ACE H3 1 1
13 2382 1 1 1 ACE O O 1.940 2.120 -2.060 1.00 . A A . 1 ACE O 1 1
13 2383 1 1 2 PHE C C -0.671 2.124 -3.530 1.00 . A A . 2 PHE C 1 1
13 2384 1 1 2 PHE CA C 0.339 1.130 -4.094 1.00 . A A . 2 PHE CA 1 1
13 2385 1 1 2 PHE CB C -0.345 0.208 -5.105 1.00 . A A . 2 PHE CB 1 1
13 2386 1 1 2 PHE CD1 C 0.330 0.940 -7.409 1.00 . A A . 2 PHE CD1 1 1
13 2387 1 1 2 PHE CD2 C -1.882 1.432 -6.666 1.00 . A A . 2 PHE CD2 1 1
13 2388 1 1 2 PHE CE1 C 0.062 1.552 -8.619 1.00 . A A . 2 PHE CE1 1 1
13 2389 1 1 2 PHE CE2 C -2.156 2.045 -7.874 1.00 . A A . 2 PHE CE2 1 1
13 2390 1 1 2 PHE CG C -0.638 0.873 -6.420 1.00 . A A . 2 PHE CG 1 1
13 2391 1 1 2 PHE CZ C -1.182 2.104 -8.852 1.00 . A A . 2 PHE CZ 1 1
13 2392 1 1 2 PHE H H 0.798 -0.622 -2.997 1.00 . A A . 2 PHE H 1 1
13 2393 1 1 2 PHE HA H 1.125 1.677 -4.592 1.00 . A A . 2 PHE HA 1 1
13 2394 1 1 2 PHE HB2 H 0.295 -0.640 -5.299 1.00 . A A . 2 PHE HB2 1 1
13 2395 1 1 2 PHE HB3 H -1.279 -0.138 -4.691 1.00 . A A . 2 PHE HB3 1 1
13 2396 1 1 2 PHE HD1 H 1.303 0.507 -7.229 1.00 . A A . 2 PHE HD1 1 1
13 2397 1 1 2 PHE HD2 H -2.645 1.386 -5.901 1.00 . A A . 2 PHE HD2 1 1
13 2398 1 1 2 PHE HE1 H 0.825 1.597 -9.382 1.00 . A A . 2 PHE HE1 1 1
13 2399 1 1 2 PHE HE2 H -3.130 2.475 -8.053 1.00 . A A . 2 PHE HE2 1 1
13 2400 1 1 2 PHE HZ H -1.394 2.583 -9.797 1.00 . A A . 2 PHE HZ 1 1
13 2401 1 1 2 PHE N N 0.949 0.346 -3.026 1.00 . A A . 2 PHE N 1 1
13 2402 1 1 2 PHE O O -0.579 3.327 -3.775 1.00 . A A . 2 PHE O 1 1
13 2403 1 1 3 ABA C C -2.006 3.582 -1.388 1.00 . A A . 3 AIB C 1 1
13 2404 1 1 3 ABA CA C -2.666 2.454 -2.175 1.00 . A A . 3 AIB CA 1 1
13 2405 1 1 3 ABA H H -1.658 0.646 -2.614 1.00 . A A . 3 AIB H 1 1
13 2406 1 1 3 ABA N N -1.637 1.613 -2.774 1.00 . A A . 3 AIB N 1 1
13 2407 1 1 3 ABA O O -2.360 4.750 -1.544 1.00 . A A . 3 AIB O 1 1
13 2408 1 1 4 ABA C C 0.401 5.181 -0.643 1.00 . A A . 4 AIB C 1 1
13 2409 1 1 4 ABA CA C -0.336 4.205 0.268 1.00 . A A . 4 AIB CA 1 1
13 2410 1 1 4 ABA H H -0.808 2.276 -0.463 1.00 . A A . 4 AIB H 1 1
13 2411 1 1 4 ABA N N -1.045 3.223 -0.543 1.00 . A A . 4 AIB N 1 1
13 2412 1 1 4 ABA O O 0.477 6.375 -0.358 1.00 . A A . 4 AIB O 1 1
13 2413 1 1 5 ABA C C 0.788 6.641 -3.154 1.00 . A A . 5 AIB C 1 1
13 2414 1 1 5 ABA CA C 1.674 5.488 -2.694 1.00 . A A . 5 AIB CA 1 1
13 2415 1 1 5 ABA H H 0.849 3.703 -1.913 1.00 . A A . 5 AIB H 1 1
13 2416 1 1 5 ABA N N 0.943 4.663 -1.741 1.00 . A A . 5 AIB N 1 1
13 2417 1 1 5 ABA O O 1.276 7.730 -3.454 1.00 . A A . 5 AIB O 1 1
13 2418 1 1 6 . C C -1.251 8.683 -2.816 1.00 . A A . 6 DIV C 1 1
13 2419 1 1 6 . CA C -1.471 7.411 -3.628 1.00 . A A . 6 DIV CA 1 1
13 2420 1 1 6 . CB1 C -1.270 7.712 -5.110 1.00 . A A . 6 DIV CB1 1 1
13 2421 1 1 6 . CB2 C -2.891 6.902 -3.401 1.00 . A A . 6 DIV CB2 1 1
13 2422 1 1 6 . CG1 C -1.186 6.475 -5.977 1.00 . A A . 6 DIV CG1 1 1
13 2423 1 1 6 . H H -0.845 5.505 -2.954 1.00 . A A . 6 DIV H 1 1
13 2424 1 1 6 . HB11 H -0.359 8.277 -5.238 1.00 . A A . 6 DIV HB11 1 1
13 2425 1 1 6 . HB12 H -2.091 8.318 -5.465 1.00 . A A . 6 DIV HB12 1 1
13 2426 1 1 6 . HB21 H -2.954 5.866 -3.701 1.00 . A A . 6 DIV HB21 1 1
13 2427 1 1 6 . HB22 H -3.582 7.489 -3.987 1.00 . A A . 6 DIV HB22 1 1
13 2428 1 1 6 . HB23 H -3.141 6.989 -2.354 1.00 . A A . 6 DIV HB23 1 1
13 2429 1 1 6 . HG11 H -0.164 6.326 -6.292 1.00 . A A . 6 DIV HG11 1 1
13 2430 1 1 6 . HG12 H -1.815 6.601 -6.846 1.00 . A A . 6 DIV HG12 1 1
13 2431 1 1 6 . HG13 H -1.518 5.617 -5.413 1.00 . A A . 6 DIV HG13 1 1
13 2432 1 1 6 . N N -0.517 6.393 -3.206 1.00 . A A . 6 DIV N 1 1
13 2433 1 1 6 . O O -1.450 9.791 -3.313 1.00 . A A . 6 DIV O 1 1
13 2434 1 1 7 GLY C C 0.339 10.670 -1.330 1.00 . A A . 7 GLY C 1 1
13 2435 1 1 7 GLY CA C -0.600 9.659 -0.702 1.00 . A A . 7 GLY CA 1 1
13 2436 1 1 7 GLY H H -0.698 7.608 -1.220 1.00 . A A . 7 GLY H 1 1
13 2437 1 1 7 GLY HA2 H -1.542 10.140 -0.490 1.00 . A A . 7 GLY HA2 1 1
13 2438 1 1 7 GLY HA3 H -0.168 9.312 0.225 1.00 . A A . 7 GLY HA3 1 1
13 2439 1 1 7 GLY N N -0.840 8.515 -1.563 1.00 . A A . 7 GLY N 1 1
13 2440 1 1 7 GLY O O 0.191 11.876 -1.125 1.00 . A A . 7 GLY O 1 1
13 2441 1 1 8 LEU C C 1.649 11.751 -3.956 1.00 . A A . 8 LEU C 1 1
13 2442 1 1 8 LEU CA C 2.275 11.051 -2.755 1.00 . A A . 8 LEU CA 1 1
13 2443 1 1 8 LEU CB C 3.496 10.243 -3.200 1.00 . A A . 8 LEU CB 1 1
13 2444 1 1 8 LEU CD1 C 5.617 9.076 -2.550 1.00 . A A . 8 LEU CD1 1 1
13 2445 1 1 8 LEU CD2 C 4.254 10.247 -0.810 1.00 . A A . 8 LEU CD2 1 1
13 2446 1 1 8 LEU CG C 4.211 9.450 -2.106 1.00 . A A . 8 LEU CG 1 1
13 2447 1 1 8 LEU H H 1.374 9.211 -2.222 1.00 . A A . 8 LEU H 1 1
13 2448 1 1 8 LEU HA H 2.589 11.798 -2.041 1.00 . A A . 8 LEU HA 1 1
13 2449 1 1 8 LEU HB2 H 3.172 9.545 -3.956 1.00 . A A . 8 LEU HB2 1 1
13 2450 1 1 8 LEU HB3 H 4.208 10.933 -3.630 1.00 . A A . 8 LEU HB3 1 1
13 2451 1 1 8 LEU HD11 H 6.170 8.689 -1.707 1.00 . A A . 8 LEU HD11 1 1
13 2452 1 1 8 LEU HD12 H 6.116 9.951 -2.938 1.00 . A A . 8 LEU HD12 1 1
13 2453 1 1 8 LEU HD13 H 5.561 8.321 -3.322 1.00 . A A . 8 LEU HD13 1 1
13 2454 1 1 8 LEU HD21 H 5.055 9.878 -0.187 1.00 . A A . 8 LEU HD21 1 1
13 2455 1 1 8 LEU HD22 H 3.314 10.138 -0.289 1.00 . A A . 8 LEU HD22 1 1
13 2456 1 1 8 LEU HD23 H 4.424 11.290 -1.035 1.00 . A A . 8 LEU HD23 1 1
13 2457 1 1 8 LEU HG H 3.666 8.535 -1.918 1.00 . A A . 8 LEU HG 1 1
13 2458 1 1 8 LEU N N 1.307 10.181 -2.096 1.00 . A A . 8 LEU N 1 1
13 2459 1 1 8 LEU O O 2.084 12.830 -4.355 1.00 . A A . 8 LEU O 1 1
13 2460 1 1 9 ABA C C -1.082 12.729 -5.212 1.00 . A A . 9 AIB C 1 1
13 2461 1 1 9 ABA CA C -0.066 11.694 -5.682 1.00 . A A . 9 AIB CA 1 1
13 2462 1 1 9 ABA H H 0.321 10.271 -4.164 1.00 . A A . 9 AIB H 1 1
13 2463 1 1 9 ABA N N 0.622 11.129 -4.528 1.00 . A A . 9 AIB N 1 1
13 2464 1 1 9 ABA O O -1.565 13.542 -6.000 1.00 . A A . 9 AIB O 1 1
13 2465 1 1 10 ABA C C -1.876 15.058 -3.574 1.00 . A A . 10 AIB C 1 1
13 2466 1 1 10 ABA CA C -2.361 13.630 -3.348 1.00 . A A . 10 AIB CA 1 1
13 2467 1 1 10 ABA H H -0.984 12.023 -3.345 1.00 . A A . 10 AIB H 1 1
13 2468 1 1 10 ABA N N -1.402 12.694 -3.923 1.00 . A A . 10 AIB N 1 1
13 2469 1 1 10 ABA O O -2.582 15.899 -4.129 1.00 . A A . 10 AIB O 1 1
13 2470 1 1 11 HYP C C -0.032 17.150 -4.724 1.00 . A A . 11 HYP C 1 1
13 2471 1 1 11 HYP CA C -0.032 16.666 -3.278 1.00 . A A . 11 HYP CA 1 1
13 2472 1 1 11 HYP CB C 1.401 16.455 -2.785 1.00 . A A . 11 HYP CB 1 1
13 2473 1 1 11 HYP CD C 0.259 14.386 -2.463 1.00 . A A . 11 HYP CD 1 1
13 2474 1 1 11 HYP CG C 1.328 15.248 -1.914 1.00 . A A . 11 HYP CG 1 1
13 2475 1 1 11 HYP HA H -0.525 17.398 -2.654 1.00 . A A . 11 HYP HA 1 1
13 2476 1 1 11 HYP HB2 H 2.055 16.294 -3.630 1.00 . A A . 11 HYP HB2 1 1
13 2477 1 1 11 HYP HB3 H 1.727 17.322 -2.230 1.00 . A A . 11 HYP HB3 1 1
13 2478 1 1 11 HYP HD1 H 1.839 14.807 -0.060 1.00 . A A . 11 HYP HD1 1 1
13 2479 1 1 11 HYP HD22 H 0.533 13.581 -3.129 1.00 . A A . 11 HYP HD22 1 1
13 2480 1 1 11 HYP HD23 H -0.195 13.996 -1.564 1.00 . A A . 11 HYP HD23 1 1
13 2481 1 1 11 HYP HG H 2.059 14.525 -2.246 1.00 . A A . 11 HYP HG 1 1
13 2482 1 1 11 HYP N N -0.640 15.340 -3.134 1.00 . A A . 11 HYP N 1 1
13 2483 1 1 11 HYP O O 0.130 18.341 -4.988 1.00 . A A . 11 HYP O 1 1
13 2484 1 1 11 HYP OD1 O 1.559 15.588 -0.541 1.00 . A A . 11 HYP OD1 1 1
13 2485 1 1 12 GLN C C -1.646 16.922 -7.526 1.00 . A A . 12 GLN C 1 1
13 2486 1 1 12 GLN CA C -0.237 16.553 -7.074 1.00 . A A . 12 GLN CA 1 1
13 2487 1 1 12 GLN CB C 0.286 15.378 -7.903 1.00 . A A . 12 GLN CB 1 1
13 2488 1 1 12 GLN CD C 2.472 16.417 -8.628 1.00 . A A . 12 GLN CD 1 1
13 2489 1 1 12 GLN CG C 1.802 15.264 -7.907 1.00 . A A . 12 GLN CG 1 1
13 2490 1 1 12 GLN H H -0.340 15.287 -5.380 1.00 . A A . 12 GLN H 1 1
13 2491 1 1 12 GLN HA H 0.410 17.404 -7.224 1.00 . A A . 12 GLN HA 1 1
13 2492 1 1 12 GLN HB2 H -0.122 14.462 -7.504 1.00 . A A . 12 GLN HB2 1 1
13 2493 1 1 12 GLN HB3 H -0.047 15.497 -8.923 1.00 . A A . 12 GLN HB3 1 1
13 2494 1 1 12 GLN HE21 H 2.908 17.282 -6.891 1.00 . A A . 12 GLN HE21 1 1
13 2495 1 1 12 GLN HE22 H 3.427 18.130 -8.304 1.00 . A A . 12 GLN HE22 1 1
13 2496 1 1 12 GLN HG2 H 2.152 15.247 -6.886 1.00 . A A . 12 GLN HG2 1 1
13 2497 1 1 12 GLN HG3 H 2.079 14.342 -8.397 1.00 . A A . 12 GLN HG3 1 1
13 2498 1 1 12 GLN N N -0.216 16.219 -5.654 1.00 . A A . 12 GLN N 1 1
13 2499 1 1 12 GLN NE2 N 2.987 17.374 -7.864 1.00 . A A . 12 GLN NE2 1 1
13 2500 1 1 12 GLN O O -1.831 17.522 -8.584 1.00 . A A . 12 GLN O 1 1
13 2501 1 1 12 GLN OE1 O 2.526 16.448 -9.858 1.00 . A A . 12 GLN OE1 1 1
13 2502 1 1 13 . C C -4.223 18.362 -7.118 1.00 . A A . 13 DIV C 1 1
13 2503 1 1 13 . CA C -4.028 16.852 -7.034 1.00 . A A . 13 DIV CA 1 1
13 2504 1 1 13 . CB1 C -4.389 16.217 -8.372 1.00 . A A . 13 DIV CB1 1 1
13 2505 1 1 13 . CB2 C -4.929 16.284 -5.942 1.00 . A A . 13 DIV CB2 1 1
13 2506 1 1 13 . CG1 C -3.611 14.956 -8.678 1.00 . A A . 13 DIV CG1 1 1
13 2507 1 1 13 . H H -2.424 16.084 -5.886 1.00 . A A . 13 DIV H 1 1
13 2508 1 1 13 . HB11 H -4.205 16.927 -9.165 1.00 . A A . 13 DIV HB11 1 1
13 2509 1 1 13 . HB12 H -5.441 15.974 -8.380 1.00 . A A . 13 DIV HB12 1 1
13 2510 1 1 13 . HB21 H -5.227 17.076 -5.272 1.00 . A A . 13 DIV HB21 1 1
13 2511 1 1 13 . HB22 H -4.390 15.528 -5.389 1.00 . A A . 13 DIV HB22 1 1
13 2512 1 1 13 . HB23 H -5.806 15.843 -6.392 1.00 . A A . 13 DIV HB23 1 1
13 2513 1 1 13 . HG11 H -2.637 15.219 -9.063 1.00 . A A . 13 DIV HG11 1 1
13 2514 1 1 13 . HG12 H -4.144 14.374 -9.414 1.00 . A A . 13 DIV HG12 1 1
13 2515 1 1 13 . HG13 H -3.496 14.376 -7.774 1.00 . A A . 13 DIV HG13 1 1
13 2516 1 1 13 . N N -2.636 16.559 -6.716 1.00 . A A . 13 DIV N 1 1
13 2517 1 1 13 . O O -4.769 18.889 -8.088 1.00 . A A . 13 DIV O 1 1
13 2518 1 1 14 HYP C C -2.757 21.241 -6.766 1.00 . A A . 14 HYP C 1 1
13 2519 1 1 14 HYP CA C -3.881 20.537 -6.012 1.00 . A A . 14 HYP CA 1 1
13 2520 1 1 14 HYP CB C -3.786 20.833 -4.513 1.00 . A A . 14 HYP CB 1 1
13 2521 1 1 14 HYP CD C -3.107 18.516 -4.889 1.00 . A A . 14 HYP CD 1 1
13 2522 1 1 14 HYP CG C -3.063 19.662 -3.942 1.00 . A A . 14 HYP CG 1 1
13 2523 1 1 14 HYP HA H -4.834 20.879 -6.388 1.00 . A A . 14 HYP HA 1 1
13 2524 1 1 14 HYP HB2 H -3.236 21.751 -4.359 1.00 . A A . 14 HYP HB2 1 1
13 2525 1 1 14 HYP HB3 H -4.777 20.926 -4.097 1.00 . A A . 14 HYP HB3 1 1
13 2526 1 1 14 HYP HD1 H -4.048 18.571 -2.625 1.00 . A A . 14 HYP HD1 1 1
13 2527 1 1 14 HYP HD22 H -2.126 18.138 -5.134 1.00 . A A . 14 HYP HD22 1 1
13 2528 1 1 14 HYP HD23 H -3.712 17.740 -4.443 1.00 . A A . 14 HYP HD23 1 1
13 2529 1 1 14 HYP HG H -2.003 19.867 -3.934 1.00 . A A . 14 HYP HG 1 1
13 2530 1 1 14 HYP N N -3.768 19.077 -6.079 1.00 . A A . 14 HYP N 1 1
13 2531 1 1 14 HYP O O -2.743 22.466 -6.876 1.00 . A A . 14 HYP O 1 1
13 2532 1 1 14 HYP OD1 O -3.520 19.372 -2.615 1.00 . A A . 14 HYP OD1 1 1
13 2533 1 1 15 ABA C C -1.209 21.867 -9.175 1.00 . A A . 15 AIB C 1 1
13 2534 1 1 15 ABA CA C -0.690 21.005 -8.029 1.00 . A A . 15 AIB CA 1 1
13 2535 1 1 15 ABA H H -1.884 19.487 -7.164 1.00 . A A . 15 AIB H 1 1
13 2536 1 1 15 ABA N N -1.818 20.457 -7.284 1.00 . A A . 15 AIB N 1 1
13 2537 1 1 15 ABA O O -0.879 23.047 -9.296 1.00 . A A . 15 AIB O 1 1
13 2538 1 1 16 PRO C C -3.173 23.333 -10.823 1.00 . A A . 16 PRO C 1 1
13 2539 1 1 16 PRO CA C -2.623 21.959 -11.191 1.00 . A A . 16 PRO CA 1 1
13 2540 1 1 16 PRO CB C -3.756 21.029 -11.630 1.00 . A A . 16 PRO CB 1 1
13 2541 1 1 16 PRO CD C -2.476 19.861 -9.957 1.00 . A A . 16 PRO CD 1 1
13 2542 1 1 16 PRO CG C -3.345 19.679 -11.152 1.00 . A A . 16 PRO CG 1 1
13 2543 1 1 16 PRO HA H -1.908 22.062 -11.995 1.00 . A A . 16 PRO HA 1 1
13 2544 1 1 16 PRO HB2 H -4.683 21.346 -11.172 1.00 . A A . 16 PRO HB2 1 1
13 2545 1 1 16 PRO HB3 H -3.853 21.054 -12.705 1.00 . A A . 16 PRO HB3 1 1
13 2546 1 1 16 PRO HD2 H -2.995 19.672 -9.029 1.00 . A A . 16 PRO HD2 1 1
13 2547 1 1 16 PRO HD3 H -1.637 19.190 -10.065 1.00 . A A . 16 PRO HD3 1 1
13 2548 1 1 16 PRO HG2 H -4.217 19.105 -10.877 1.00 . A A . 16 PRO HG2 1 1
13 2549 1 1 16 PRO HG3 H -2.788 19.171 -11.925 1.00 . A A . 16 PRO HG3 1 1
13 2550 1 1 16 PRO N N -2.040 21.265 -10.039 1.00 . A A . 16 PRO N 1 1
13 2551 1 1 16 PRO O O -3.163 24.256 -11.638 1.00 . A A . 16 PRO O 1 1
13 2552 1 1 17 PHL C C -3.113 25.619 -8.543 1.00 . A A . 17 PHL C 1 1
13 2553 1 1 17 PHL CA C -4.208 24.723 -9.115 1.00 . A A . 17 PHL CA 1 1
13 2554 1 1 17 PHL CB C -5.278 24.466 -8.052 1.00 . A A . 17 PHL CB 1 1
13 2555 1 1 17 PHL CD1 C -7.195 22.952 -8.627 1.00 . A A . 17 PHL CD1 1 1
13 2556 1 1 17 PHL CD2 C -7.382 25.270 -9.158 1.00 . A A . 17 PHL CD2 1 1
13 2557 1 1 17 PHL CE1 C -8.454 22.727 -9.153 1.00 . A A . 17 PHL CE1 1 1
13 2558 1 1 17 PHL CE2 C -8.641 25.050 -9.684 1.00 . A A . 17 PHL CE2 1 1
13 2559 1 1 17 PHL CG C -6.646 24.224 -8.624 1.00 . A A . 17 PHL CG 1 1
13 2560 1 1 17 PHL CZ C -9.177 23.777 -9.683 1.00 . A A . 17 PHL CZ 1 1
13 2561 1 1 17 PHL H H -3.634 22.690 -8.987 1.00 . A A . 17 PHL H 1 1
13 2562 1 1 17 PHL HA H -4.663 25.223 -9.956 1.00 . A A . 17 PHL HA 1 1
13 2563 1 1 17 PHL HB2 H -5.001 23.595 -7.476 1.00 . A A . 17 PHL HB2 1 1
13 2564 1 1 17 PHL HB3 H -5.337 25.321 -7.396 1.00 . A A . 17 PHL HB3 1 1
13 2565 1 1 17 PHL HC1 H -3.527 26.230 -7.755 1.00 . A A . 17 PHL HC1 1 1
13 2566 1 1 17 PHL HC2 H -2.320 25.002 -8.146 1.00 . A A . 17 PHL HC2 1 1
13 2567 1 1 17 PHL HD1 H -6.630 22.129 -8.213 1.00 . A A . 17 PHL HD1 1 1
13 2568 1 1 17 PHL HD2 H -6.964 26.265 -9.161 1.00 . A A . 17 PHL HD2 1 1
13 2569 1 1 17 PHL HE1 H -8.870 21.730 -9.150 1.00 . A A . 17 PHL HE1 1 1
13 2570 1 1 17 PHL HE2 H -9.204 25.873 -10.098 1.00 . A A . 17 PHL HE2 1 1
13 2571 1 1 17 PHL HO H -2.034 27.158 -9.142 1.00 . A A . 17 PHL HO 1 1
13 2572 1 1 17 PHL HZ H -10.161 23.604 -10.093 1.00 . A A . 17 PHL HZ 1 1
13 2573 1 1 17 PHL N N -3.653 23.462 -9.591 1.00 . A A . 17 PHL N 1 1
13 2574 1 1 17 PHL O O -2.568 26.476 -9.555 1.00 . A A . 17 PHL O 1 1
14 2575 1 1 1 ACE C C 1.693 0.919 -2.124 1.00 . A A . 1 ACE C 1 1
14 2576 1 1 1 ACE CH3 C 2.272 -0.012 -1.077 1.00 . A A . 1 ACE CH3 1 1
14 2577 1 1 1 ACE H1 H 2.017 0.349 -0.092 1.00 . A A . 1 ACE H1 1 1
14 2578 1 1 1 ACE H2 H 3.347 -0.046 -1.181 1.00 . A A . 1 ACE H2 1 1
14 2579 1 1 1 ACE H3 H 1.866 -1.004 -1.213 1.00 . A A . 1 ACE H3 1 1
14 2580 1 1 1 ACE O O 1.931 2.127 -2.092 1.00 . A A . 1 ACE O 1 1
14 2581 1 1 2 PHE C C -0.688 2.140 -3.548 1.00 . A A . 2 PHE C 1 1
14 2582 1 1 2 PHE CA C 0.317 1.144 -4.119 1.00 . A A . 2 PHE CA 1 1
14 2583 1 1 2 PHE CB C -0.375 0.226 -5.129 1.00 . A A . 2 PHE CB 1 1
14 2584 1 1 2 PHE CD1 C 0.338 1.225 -7.318 1.00 . A A . 2 PHE CD1 1 1
14 2585 1 1 2 PHE CD2 C -1.987 1.199 -6.787 1.00 . A A . 2 PHE CD2 1 1
14 2586 1 1 2 PHE CE1 C 0.060 1.841 -8.523 1.00 . A A . 2 PHE CE1 1 1
14 2587 1 1 2 PHE CE2 C -2.271 1.815 -7.991 1.00 . A A . 2 PHE CE2 1 1
14 2588 1 1 2 PHE CG C -0.681 0.897 -6.438 1.00 . A A . 2 PHE CG 1 1
14 2589 1 1 2 PHE CZ C -1.247 2.138 -8.860 1.00 . A A . 2 PHE CZ 1 1
14 2590 1 1 2 PHE H H 0.777 -0.611 -3.029 1.00 . A A . 2 PHE H 1 1
14 2591 1 1 2 PHE HA H 1.101 1.690 -4.621 1.00 . A A . 2 PHE HA 1 1
14 2592 1 1 2 PHE HB2 H 0.264 -0.620 -5.332 1.00 . A A . 2 PHE HB2 1 1
14 2593 1 1 2 PHE HB3 H -1.306 -0.123 -4.708 1.00 . A A . 2 PHE HB3 1 1
14 2594 1 1 2 PHE HD1 H 1.360 0.993 -7.055 1.00 . A A . 2 PHE HD1 1 1
14 2595 1 1 2 PHE HD2 H -2.789 0.949 -6.109 1.00 . A A . 2 PHE HD2 1 1
14 2596 1 1 2 PHE HE1 H 0.863 2.092 -9.200 1.00 . A A . 2 PHE HE1 1 1
14 2597 1 1 2 PHE HE2 H -3.293 2.047 -8.252 1.00 . A A . 2 PHE HE2 1 1
14 2598 1 1 2 PHE HZ H -1.466 2.619 -9.801 1.00 . A A . 2 PHE HZ 1 1
14 2599 1 1 2 PHE N N 0.930 0.357 -3.056 1.00 . A A . 2 PHE N 1 1
14 2600 1 1 2 PHE O O -0.594 3.343 -3.792 1.00 . A A . 2 PHE O 1 1
14 2601 1 1 3 ABA C C -2.007 3.597 -1.397 1.00 . A A . 3 AIB C 1 1
14 2602 1 1 3 ABA CA C -2.674 2.473 -2.182 1.00 . A A . 3 AIB CA 1 1
14 2603 1 1 3 ABA H H -1.673 0.663 -2.630 1.00 . A A . 3 AIB H 1 1
14 2604 1 1 3 ABA N N -1.651 1.629 -2.787 1.00 . A A . 3 AIB N 1 1
14 2605 1 1 3 ABA O O -2.359 4.767 -1.548 1.00 . A A . 3 AIB O 1 1
14 2606 1 1 4 ABA C C 0.408 5.188 -0.662 1.00 . A A . 4 AIB C 1 1
14 2607 1 1 4 ABA CA C -0.326 4.213 0.252 1.00 . A A . 4 AIB CA 1 1
14 2608 1 1 4 ABA H H -0.807 2.287 -0.480 1.00 . A A . 4 AIB H 1 1
14 2609 1 1 4 ABA N N -1.043 3.235 -0.557 1.00 . A A . 4 AIB N 1 1
14 2610 1 1 4 ABA O O 0.489 6.382 -0.375 1.00 . A A . 4 AIB O 1 1
14 2611 1 1 5 ABA C C 0.785 6.652 -3.171 1.00 . A A . 5 AIB C 1 1
14 2612 1 1 5 ABA CA C 1.671 5.496 -2.719 1.00 . A A . 5 AIB CA 1 1
14 2613 1 1 5 ABA H H 0.845 3.712 -1.937 1.00 . A A . 5 AIB H 1 1
14 2614 1 1 5 ABA N N 0.943 4.671 -1.763 1.00 . A A . 5 AIB N 1 1
14 2615 1 1 5 ABA O O 1.274 7.741 -3.472 1.00 . A A . 5 AIB O 1 1
14 2616 1 1 6 . C C -1.247 8.699 -2.819 1.00 . A A . 6 DIV C 1 1
14 2617 1 1 6 . CA C -1.475 7.429 -3.632 1.00 . A A . 6 DIV CA 1 1
14 2618 1 1 6 . CB1 C -1.282 7.732 -5.114 1.00 . A A . 6 DIV CB1 1 1
14 2619 1 1 6 . CB2 C -2.894 6.923 -3.398 1.00 . A A . 6 DIV CB2 1 1
14 2620 1 1 6 . CG1 C -1.205 6.497 -5.984 1.00 . A A . 6 DIV CG1 1 1
14 2621 1 1 6 . H H -0.850 5.520 -2.965 1.00 . A A . 6 DIV H 1 1
14 2622 1 1 6 . HB11 H -0.370 8.295 -5.247 1.00 . A A . 6 DIV HB11 1 1
14 2623 1 1 6 . HB12 H -2.103 8.340 -5.464 1.00 . A A . 6 DIV HB12 1 1
14 2624 1 1 6 . HB21 H -3.587 7.510 -3.983 1.00 . A A . 6 DIV HB21 1 1
14 2625 1 1 6 . HB22 H -3.141 7.014 -2.350 1.00 . A A . 6 DIV HB22 1 1
14 2626 1 1 6 . HB23 H -2.961 5.887 -3.694 1.00 . A A . 6 DIV HB23 1 1
14 2627 1 1 6 . HG11 H -0.291 5.963 -5.771 1.00 . A A . 6 DIV HG11 1 1
14 2628 1 1 6 . HG12 H -1.218 6.788 -7.024 1.00 . A A . 6 DIV HG12 1 1
14 2629 1 1 6 . HG13 H -2.051 5.858 -5.778 1.00 . A A . 6 DIV HG13 1 1
14 2630 1 1 6 . N N -0.521 6.408 -3.217 1.00 . A A . 6 DIV N 1 1
14 2631 1 1 6 . O O -1.445 9.808 -3.313 1.00 . A A . 6 DIV O 1 1
14 2632 1 1 7 GLY C C 0.357 10.679 -1.338 1.00 . A A . 7 GLY C 1 1
14 2633 1 1 7 GLY CA C -0.581 9.669 -0.707 1.00 . A A . 7 GLY CA 1 1
14 2634 1 1 7 GLY H H -0.688 7.620 -1.228 1.00 . A A . 7 GLY H 1 1
14 2635 1 1 7 GLY HA2 H -1.521 10.153 -0.489 1.00 . A A . 7 GLY HA2 1 1
14 2636 1 1 7 GLY HA3 H -0.145 9.319 0.218 1.00 . A A . 7 GLY HA3 1 1
14 2637 1 1 7 GLY N N -0.829 8.528 -1.568 1.00 . A A . 7 GLY N 1 1
14 2638 1 1 7 GLY O O 0.214 11.885 -1.130 1.00 . A A . 7 GLY O 1 1
14 2639 1 1 8 LEU C C 1.655 11.760 -3.970 1.00 . A A . 8 LEU C 1 1
14 2640 1 1 8 LEU CA C 2.287 11.056 -2.773 1.00 . A A . 8 LEU CA 1 1
14 2641 1 1 8 LEU CB C 3.502 10.247 -3.226 1.00 . A A . 8 LEU CB 1 1
14 2642 1 1 8 LEU CD1 C 5.623 9.071 -2.590 1.00 . A A . 8 LEU CD1 1 1
14 2643 1 1 8 LEU CD2 C 4.276 10.246 -0.841 1.00 . A A . 8 LEU CD2 1 1
14 2644 1 1 8 LEU CG C 4.222 9.450 -2.137 1.00 . A A . 8 LEU CG 1 1
14 2645 1 1 8 LEU H H 1.383 9.219 -2.238 1.00 . A A . 8 LEU H 1 1
14 2646 1 1 8 LEU HA H 2.606 11.802 -2.059 1.00 . A A . 8 LEU HA 1 1
14 2647 1 1 8 LEU HB2 H 3.173 9.550 -3.982 1.00 . A A . 8 LEU HB2 1 1
14 2648 1 1 8 LEU HB3 H 4.215 10.935 -3.659 1.00 . A A . 8 LEU HB3 1 1
14 2649 1 1 8 LEU HD11 H 5.562 8.301 -3.344 1.00 . A A . 8 LEU HD11 1 1
14 2650 1 1 8 LEU HD12 H 6.188 8.705 -1.746 1.00 . A A . 8 LEU HD12 1 1
14 2651 1 1 8 LEU HD13 H 6.115 9.940 -3.002 1.00 . A A . 8 LEU HD13 1 1
14 2652 1 1 8 LEU HD21 H 5.093 9.887 -0.233 1.00 . A A . 8 LEU HD21 1 1
14 2653 1 1 8 LEU HD22 H 3.346 10.122 -0.304 1.00 . A A . 8 LEU HD22 1 1
14 2654 1 1 8 LEU HD23 H 4.426 11.291 -1.067 1.00 . A A . 8 LEU HD23 1 1
14 2655 1 1 8 LEU HG H 3.675 8.536 -1.947 1.00 . A A . 8 LEU HG 1 1
14 2656 1 1 8 LEU N N 1.320 10.188 -2.110 1.00 . A A . 8 LEU N 1 1
14 2657 1 1 8 LEU O O 2.092 12.839 -4.369 1.00 . A A . 8 LEU O 1 1
14 2658 1 1 9 ABA C C -1.079 12.749 -5.209 1.00 . A A . 9 AIB C 1 1
14 2659 1 1 9 ABA CA C -0.069 11.712 -5.686 1.00 . A A . 9 AIB CA 1 1
14 2660 1 1 9 ABA H H 0.322 10.285 -4.173 1.00 . A A . 9 AIB H 1 1
14 2661 1 1 9 ABA N N 0.624 11.143 -4.537 1.00 . A A . 9 AIB N 1 1
14 2662 1 1 9 ABA O O -1.564 13.565 -5.993 1.00 . A A . 9 AIB O 1 1
14 2663 1 1 10 ABA C C -1.857 15.077 -3.562 1.00 . A A . 10 AIB C 1 1
14 2664 1 1 10 ABA CA C -2.345 13.650 -3.336 1.00 . A A . 10 AIB CA 1 1
14 2665 1 1 10 ABA H H -0.972 12.039 -3.343 1.00 . A A . 10 AIB H 1 1
14 2666 1 1 10 ABA N N -1.392 12.713 -3.918 1.00 . A A . 10 AIB N 1 1
14 2667 1 1 10 ABA O O -2.564 15.922 -4.112 1.00 . A A . 10 AIB O 1 1
14 2668 1 1 11 HYP C C -0.014 17.166 -4.718 1.00 . A A . 11 HYP C 1 1
14 2669 1 1 11 HYP CA C -0.008 16.680 -3.273 1.00 . A A . 11 HYP CA 1 1
14 2670 1 1 11 HYP CB C 1.428 16.463 -2.788 1.00 . A A . 11 HYP CB 1 1
14 2671 1 1 11 HYP CD C 0.281 14.397 -2.464 1.00 . A A . 11 HYP CD 1 1
14 2672 1 1 11 HYP CG C 1.356 15.255 -1.920 1.00 . A A . 11 HYP CG 1 1
14 2673 1 1 11 HYP HA H -0.495 17.412 -2.646 1.00 . A A . 11 HYP HA 1 1
14 2674 1 1 11 HYP HB2 H 2.077 16.302 -3.638 1.00 . A A . 11 HYP HB2 1 1
14 2675 1 1 11 HYP HB3 H 1.759 17.328 -2.234 1.00 . A A . 11 HYP HB3 1 1
14 2676 1 1 11 HYP HD1 H 0.814 16.067 -0.205 1.00 . A A . 11 HYP HD1 1 1
14 2677 1 1 11 HYP HD22 H 0.550 13.592 -3.133 1.00 . A A . 11 HYP HD22 1 1
14 2678 1 1 11 HYP HD23 H -0.169 14.007 -1.564 1.00 . A A . 11 HYP HD23 1 1
14 2679 1 1 11 HYP HG H 2.092 14.536 -2.248 1.00 . A A . 11 HYP HG 1 1
14 2680 1 1 11 HYP N N -0.618 15.355 -3.129 1.00 . A A . 11 HYP N 1 1
14 2681 1 1 11 HYP O O 0.151 18.357 -4.982 1.00 . A A . 11 HYP O 1 1
14 2682 1 1 11 HYP OD1 O 1.578 15.595 -0.545 1.00 . A A . 11 HYP OD1 1 1
14 2683 1 1 12 GLN C C -1.643 16.948 -7.512 1.00 . A A . 12 GLN C 1 1
14 2684 1 1 12 GLN CA C -0.233 16.574 -7.068 1.00 . A A . 12 GLN CA 1 1
14 2685 1 1 12 GLN CB C 0.282 15.399 -7.902 1.00 . A A . 12 GLN CB 1 1
14 2686 1 1 12 GLN CD C 2.463 16.391 -8.703 1.00 . A A . 12 GLN CD 1 1
14 2687 1 1 12 GLN CG C 1.797 15.281 -7.915 1.00 . A A . 12 GLN CG 1 1
14 2688 1 1 12 GLN H H -0.331 15.305 -5.377 1.00 . A A . 12 GLN H 1 1
14 2689 1 1 12 GLN HA H 0.416 17.423 -7.220 1.00 . A A . 12 GLN HA 1 1
14 2690 1 1 12 GLN HB2 H -0.126 14.483 -7.503 1.00 . A A . 12 GLN HB2 1 1
14 2691 1 1 12 GLN HB3 H -0.056 15.521 -8.921 1.00 . A A . 12 GLN HB3 1 1
14 2692 1 1 12 GLN HE21 H 2.695 17.463 -7.045 1.00 . A A . 12 GLN HE21 1 1
14 2693 1 1 12 GLN HE22 H 3.288 18.188 -8.496 1.00 . A A . 12 GLN HE22 1 1
14 2694 1 1 12 GLN HG2 H 2.157 15.317 -6.898 1.00 . A A . 12 GLN HG2 1 1
14 2695 1 1 12 GLN HG3 H 2.068 14.333 -8.358 1.00 . A A . 12 GLN HG3 1 1
14 2696 1 1 12 GLN N N -0.206 16.238 -5.650 1.00 . A A . 12 GLN N 1 1
14 2697 1 1 12 GLN NE2 N 2.854 17.456 -8.012 1.00 . A A . 12 GLN NE2 1 1
14 2698 1 1 12 GLN O O -1.833 17.550 -8.568 1.00 . A A . 12 GLN O 1 1
14 2699 1 1 12 GLN OE1 O 2.624 16.295 -9.920 1.00 . A A . 12 GLN OE1 1 1
14 2700 1 1 13 . C C -4.215 18.395 -7.088 1.00 . A A . 13 DIV C 1 1
14 2701 1 1 13 . CA C -4.023 16.884 -7.007 1.00 . A A . 13 DIV CA 1 1
14 2702 1 1 13 . CB1 C -4.393 16.252 -8.345 1.00 . A A . 13 DIV CB1 1 1
14 2703 1 1 13 . CB2 C -4.919 16.316 -5.911 1.00 . A A . 13 DIV CB2 1 1
14 2704 1 1 13 . CG1 C -3.620 14.989 -8.657 1.00 . A A . 13 DIV CG1 1 1
14 2705 1 1 13 . H H -2.415 16.109 -5.870 1.00 . A A . 13 DIV H 1 1
14 2706 1 1 13 . HB11 H -4.211 16.963 -9.137 1.00 . A A . 13 DIV HB11 1 1
14 2707 1 1 13 . HB12 H -5.446 16.012 -8.347 1.00 . A A . 13 DIV HB12 1 1
14 2708 1 1 13 . HB21 H -5.212 17.108 -5.239 1.00 . A A . 13 DIV HB21 1 1
14 2709 1 1 13 . HB22 H -4.380 15.558 -5.362 1.00 . A A . 13 DIV HB22 1 1
14 2710 1 1 13 . HB23 H -5.800 15.879 -6.358 1.00 . A A . 13 DIV HB23 1 1
14 2711 1 1 13 . HG11 H -2.648 15.250 -9.047 1.00 . A A . 13 DIV HG11 1 1
14 2712 1 1 13 . HG12 H -4.160 14.410 -9.391 1.00 . A A . 13 DIV HG12 1 1
14 2713 1 1 13 . HG13 H -3.502 14.408 -7.755 1.00 . A A . 13 DIV HG13 1 1
14 2714 1 1 13 . N N -2.630 16.586 -6.698 1.00 . A A . 13 DIV N 1 1
14 2715 1 1 13 . O O -4.764 18.925 -8.054 1.00 . A A . 13 DIV O 1 1
14 2716 1 1 14 HYP C C -2.739 21.268 -6.739 1.00 . A A . 14 HYP C 1 1
14 2717 1 1 14 HYP CA C -3.860 20.567 -5.980 1.00 . A A . 14 HYP CA 1 1
14 2718 1 1 14 HYP CB C -3.755 20.859 -4.481 1.00 . A A . 14 HYP CB 1 1
14 2719 1 1 14 HYP CD C -3.086 18.541 -4.864 1.00 . A A . 14 HYP CD 1 1
14 2720 1 1 14 HYP CG C -3.033 19.685 -3.915 1.00 . A A . 14 HYP CG 1 1
14 2721 1 1 14 HYP HA H -4.814 20.912 -6.350 1.00 . A A . 14 HYP HA 1 1
14 2722 1 1 14 HYP HB2 H -3.203 21.775 -4.328 1.00 . A A . 14 HYP HB2 1 1
14 2723 1 1 14 HYP HB3 H -4.745 20.954 -4.059 1.00 . A A . 14 HYP HB3 1 1
14 2724 1 1 14 HYP HD1 H -2.835 20.230 -2.029 1.00 . A A . 14 HYP HD1 1 1
14 2725 1 1 14 HYP HD22 H -2.107 18.160 -5.116 1.00 . A A . 14 HYP HD22 1 1
14 2726 1 1 14 HYP HD23 H -3.691 17.766 -4.417 1.00 . A A . 14 HYP HD23 1 1
14 2727 1 1 14 HYP HG H -1.973 19.804 -4.083 1.00 . A A . 14 HYP HG 1 1
14 2728 1 1 14 HYP N N -3.752 19.107 -6.050 1.00 . A A . 14 HYP N 1 1
14 2729 1 1 14 HYP O O -2.721 22.494 -6.846 1.00 . A A . 14 HYP O 1 1
14 2730 1 1 14 HYP OD1 O -3.299 19.543 -2.514 1.00 . A A . 14 HYP OD1 1 1
14 2731 1 1 15 ABA C C -1.201 21.894 -9.155 1.00 . A A . 15 AIB C 1 1
14 2732 1 1 15 ABA CA C -0.679 21.029 -8.013 1.00 . A A . 15 AIB CA 1 1
14 2733 1 1 15 ABA H H -1.873 19.512 -7.144 1.00 . A A . 15 AIB H 1 1
14 2734 1 1 15 ABA N N -1.804 20.482 -7.264 1.00 . A A . 15 AIB N 1 1
14 2735 1 1 15 ABA O O -0.869 23.073 -9.275 1.00 . A A . 15 AIB O 1 1
14 2736 1 1 16 PRO C C -3.170 23.369 -10.790 1.00 . A A . 16 PRO C 1 1
14 2737 1 1 16 PRO CA C -2.626 21.994 -11.163 1.00 . A A . 16 PRO CA 1 1
14 2738 1 1 16 PRO CB C -3.765 21.068 -11.597 1.00 . A A . 16 PRO CB 1 1
14 2739 1 1 16 PRO CD C -2.479 19.893 -9.933 1.00 . A A . 16 PRO CD 1 1
14 2740 1 1 16 PRO CG C -3.355 19.716 -11.124 1.00 . A A . 16 PRO CG 1 1
14 2741 1 1 16 PRO HA H -1.916 22.097 -11.970 1.00 . A A . 16 PRO HA 1 1
14 2742 1 1 16 PRO HB2 H -4.688 21.386 -11.133 1.00 . A A . 16 PRO HB2 1 1
14 2743 1 1 16 PRO HB3 H -3.867 21.096 -12.671 1.00 . A A . 16 PRO HB3 1 1
14 2744 1 1 16 PRO HD2 H -2.993 19.704 -9.003 1.00 . A A . 16 PRO HD2 1 1
14 2745 1 1 16 PRO HD3 H -1.642 19.220 -10.047 1.00 . A A . 16 PRO HD3 1 1
14 2746 1 1 16 PRO HG2 H -4.227 19.144 -10.845 1.00 . A A . 16 PRO HG2 1 1
14 2747 1 1 16 PRO HG3 H -2.803 19.207 -11.901 1.00 . A A . 16 PRO HG3 1 1
14 2748 1 1 16 PRO N N -2.039 21.296 -10.015 1.00 . A A . 16 PRO N 1 1
14 2749 1 1 16 PRO O O -3.162 24.293 -11.603 1.00 . A A . 16 PRO O 1 1
14 2750 1 1 17 PHL C C -3.104 25.617 -8.433 1.00 . A A . 17 PHL C 1 1
14 2751 1 1 17 PHL CA C -4.192 24.759 -9.073 1.00 . A A . 17 PHL CA 1 1
14 2752 1 1 17 PHL CB C -5.313 24.501 -8.065 1.00 . A A . 17 PHL CB 1 1
14 2753 1 1 17 PHL CD1 C -6.837 22.567 -8.551 1.00 . A A . 17 PHL CD1 1 1
14 2754 1 1 17 PHL CD2 C -7.431 24.718 -9.392 1.00 . A A . 17 PHL CD2 1 1
14 2755 1 1 17 PHL CE1 C -7.976 22.027 -9.118 1.00 . A A . 17 PHL CE1 1 1
14 2756 1 1 17 PHL CE2 C -8.572 24.183 -9.961 1.00 . A A . 17 PHL CE2 1 1
14 2757 1 1 17 PHL CG C -6.552 23.917 -8.682 1.00 . A A . 17 PHL CG 1 1
14 2758 1 1 17 PHL CZ C -8.844 22.836 -9.824 1.00 . A A . 17 PHL CZ 1 1
14 2759 1 1 17 PHL H H -3.623 22.724 -8.952 1.00 . A A . 17 PHL H 1 1
14 2760 1 1 17 PHL HA H -4.598 25.288 -9.922 1.00 . A A . 17 PHL HA 1 1
14 2761 1 1 17 PHL HB2 H -4.960 23.810 -7.314 1.00 . A A . 17 PHL HB2 1 1
14 2762 1 1 17 PHL HB3 H -5.584 25.433 -7.592 1.00 . A A . 17 PHL HB3 1 1
14 2763 1 1 17 PHL HC1 H -3.056 25.400 -7.376 1.00 . A A . 17 PHL HC1 1 1
14 2764 1 1 17 PHL HC2 H -2.155 25.390 -8.894 1.00 . A A . 17 PHL HC2 1 1
14 2765 1 1 17 PHL HD1 H -6.158 21.933 -7.999 1.00 . A A . 17 PHL HD1 1 1
14 2766 1 1 17 PHL HD2 H -7.220 25.771 -9.501 1.00 . A A . 17 PHL HD2 1 1
14 2767 1 1 17 PHL HE1 H -8.185 20.973 -9.009 1.00 . A A . 17 PHL HE1 1 1
14 2768 1 1 17 PHL HE2 H -9.249 24.817 -10.513 1.00 . A A . 17 PHL HE2 1 1
14 2769 1 1 17 PHL HO H -4.168 27.247 -8.110 1.00 . A A . 17 PHL HO 1 1
14 2770 1 1 17 PHL HZ H -9.735 22.416 -10.267 1.00 . A A . 17 PHL HZ 1 1
14 2771 1 1 17 PHL N N -3.643 23.497 -9.554 1.00 . A A . 17 PHL N 1 1
14 2772 1 1 17 PHL O O -3.380 27.012 -8.606 1.00 . A A . 17 PHL O 1 1
15 2773 1 1 1 ACE C C 1.702 0.899 -2.096 1.00 . A A . 1 ACE C 1 1
15 2774 1 1 1 ACE CH3 C 2.289 -0.031 -1.053 1.00 . A A . 1 ACE CH3 1 1
15 2775 1 1 1 ACE H1 H 2.335 -1.034 -1.449 1.00 . A A . 1 ACE H1 1 1
15 2776 1 1 1 ACE H2 H 1.668 -0.020 -0.170 1.00 . A A . 1 ACE H2 1 1
15 2777 1 1 1 ACE H3 H 3.285 0.300 -0.796 1.00 . A A . 1 ACE H3 1 1
15 2778 1 1 1 ACE O O 1.942 2.106 -2.068 1.00 . A A . 1 ACE O 1 1
15 2779 1 1 2 PHE C C -0.690 2.121 -3.502 1.00 . A A . 2 PHE C 1 1
15 2780 1 1 2 PHE CA C 0.310 1.123 -4.080 1.00 . A A . 2 PHE CA 1 1
15 2781 1 1 2 PHE CB C -0.392 0.204 -5.083 1.00 . A A . 2 PHE CB 1 1
15 2782 1 1 2 PHE CD1 C 0.309 1.199 -7.277 1.00 . A A . 2 PHE CD1 1 1
15 2783 1 1 2 PHE CD2 C -2.013 1.173 -6.735 1.00 . A A . 2 PHE CD2 1 1
15 2784 1 1 2 PHE CE1 C 0.024 1.814 -8.482 1.00 . A A . 2 PHE CE1 1 1
15 2785 1 1 2 PHE CE2 C -2.304 1.787 -7.938 1.00 . A A . 2 PHE CE2 1 1
15 2786 1 1 2 PHE CG C -0.705 0.872 -6.391 1.00 . A A . 2 PHE CG 1 1
15 2787 1 1 2 PHE CZ C -1.284 2.109 -8.813 1.00 . A A . 2 PHE CZ 1 1
15 2788 1 1 2 PHE H H 0.777 -0.631 -2.991 1.00 . A A . 2 PHE H 1 1
15 2789 1 1 2 PHE HA H 1.090 1.667 -4.589 1.00 . A A . 2 PHE HA 1 1
15 2790 1 1 2 PHE HB2 H 0.243 -0.645 -5.288 1.00 . A A . 2 PHE HB2 1 1
15 2791 1 1 2 PHE HB3 H -1.321 -0.141 -4.654 1.00 . A A . 2 PHE HB3 1 1
15 2792 1 1 2 PHE HD1 H 1.333 0.969 -7.019 1.00 . A A . 2 PHE HD1 1 1
15 2793 1 1 2 PHE HD2 H -2.812 0.923 -6.052 1.00 . A A . 2 PHE HD2 1 1
15 2794 1 1 2 PHE HE1 H 0.825 2.064 -9.163 1.00 . A A . 2 PHE HE1 1 1
15 2795 1 1 2 PHE HE2 H -3.327 2.017 -8.195 1.00 . A A . 2 PHE HE2 1 1
15 2796 1 1 2 PHE HZ H -1.508 2.588 -9.754 1.00 . A A . 2 PHE HZ 1 1
15 2797 1 1 2 PHE N N 0.931 0.336 -3.021 1.00 . A A . 2 PHE N 1 1
15 2798 1 1 2 PHE O O -0.596 3.323 -3.748 1.00 . A A . 2 PHE O 1 1
15 2799 1 1 3 ABA C C -1.989 3.582 -1.341 1.00 . A A . 3 AIB C 1 1
15 2800 1 1 3 ABA CA C -2.664 2.457 -2.119 1.00 . A A . 3 AIB CA 1 1
15 2801 1 1 3 ABA H H -1.669 0.645 -2.573 1.00 . A A . 3 AIB H 1 1
15 2802 1 1 3 ABA N N -1.647 1.612 -2.732 1.00 . A A . 3 AIB N 1 1
15 2803 1 1 3 ABA O O -2.341 4.752 -1.492 1.00 . A A . 3 AIB O 1 1
15 2804 1 1 4 ABA C C 0.434 5.171 -0.629 1.00 . A A . 4 AIB C 1 1
15 2805 1 1 4 ABA CA C -0.294 4.198 0.292 1.00 . A A . 4 AIB CA 1 1
15 2806 1 1 4 ABA H H -0.783 2.271 -0.434 1.00 . A A . 4 AIB H 1 1
15 2807 1 1 4 ABA N N -1.018 3.220 -0.510 1.00 . A A . 4 AIB N 1 1
15 2808 1 1 4 ABA O O 0.518 6.366 -0.345 1.00 . A A . 4 AIB O 1 1
15 2809 1 1 5 ABA C C 0.792 6.631 -3.144 1.00 . A A . 5 AIB C 1 1
15 2810 1 1 5 ABA CA C 1.680 5.475 -2.698 1.00 . A A . 5 AIB CA 1 1
15 2811 1 1 5 ABA H H 0.859 3.693 -1.906 1.00 . A A . 5 AIB H 1 1
15 2812 1 1 5 ABA N N 0.959 4.652 -1.734 1.00 . A A . 5 AIB N 1 1
15 2813 1 1 5 ABA O O 1.279 7.719 -3.450 1.00 . A A . 5 AIB O 1 1
15 2814 1 1 6 . C C -1.235 8.681 -2.778 1.00 . A A . 6 DIV C 1 1
15 2815 1 1 6 . CA C -1.471 7.410 -3.587 1.00 . A A . 6 DIV CA 1 1
15 2816 1 1 6 . CB1 C -1.290 7.711 -5.071 1.00 . A A . 6 DIV CB1 1 1
15 2817 1 1 6 . CB2 C -2.889 6.906 -3.340 1.00 . A A . 6 DIV CB2 1 1
15 2818 1 1 6 . CG1 C -1.222 6.474 -5.940 1.00 . A A . 6 DIV CG1 1 1
15 2819 1 1 6 . H H -0.842 5.502 -2.922 1.00 . A A . 6 DIV H 1 1
15 2820 1 1 6 . HB11 H -0.378 8.273 -5.212 1.00 . A A . 6 DIV HB11 1 1
15 2821 1 1 6 . HB12 H -2.113 8.320 -5.414 1.00 . A A . 6 DIV HB12 1 1
15 2822 1 1 6 . HB21 H -3.055 6.804 -2.278 1.00 . A A . 6 DIV HB21 1 1
15 2823 1 1 6 . HB22 H -3.019 5.947 -3.819 1.00 . A A . 6 DIV HB22 1 1
15 2824 1 1 6 . HB23 H -3.598 7.612 -3.748 1.00 . A A . 6 DIV HB23 1 1
15 2825 1 1 6 . HG11 H -0.228 6.054 -5.891 1.00 . A A . 6 DIV HG11 1 1
15 2826 1 1 6 . HG12 H -1.451 6.739 -6.961 1.00 . A A . 6 DIV HG12 1 1
15 2827 1 1 6 . HG13 H -1.938 5.747 -5.587 1.00 . A A . 6 DIV HG13 1 1
15 2828 1 1 6 . N N -0.514 6.389 -3.178 1.00 . A A . 6 DIV N 1 1
15 2829 1 1 6 . O O -1.435 9.790 -3.271 1.00 . A A . 6 DIV O 1 1
15 2830 1 1 7 GLY C C 0.384 10.661 -1.312 1.00 . A A . 7 GLY C 1 1
15 2831 1 1 7 GLY CA C -0.550 9.653 -0.672 1.00 . A A . 7 GLY CA 1 1
15 2832 1 1 7 GLY H H -0.664 7.603 -1.190 1.00 . A A . 7 GLY H 1 1
15 2833 1 1 7 GLY HA2 H -1.488 10.139 -0.448 1.00 . A A . 7 GLY HA2 1 1
15 2834 1 1 7 GLY HA3 H -0.107 9.304 0.249 1.00 . A A . 7 GLY HA3 1 1
15 2835 1 1 7 GLY N N -0.807 8.511 -1.530 1.00 . A A . 7 GLY N 1 1
15 2836 1 1 7 GLY O O 0.244 11.867 -1.105 1.00 . A A . 7 GLY O 1 1
15 2837 1 1 8 LEU C C 1.662 11.737 -3.956 1.00 . A A . 8 LEU C 1 1
15 2838 1 1 8 LEU CA C 2.302 11.034 -2.764 1.00 . A A . 8 LEU CA 1 1
15 2839 1 1 8 LEU CB C 3.513 10.222 -3.225 1.00 . A A . 8 LEU CB 1 1
15 2840 1 1 8 LEU CD1 C 5.638 9.044 -2.606 1.00 . A A . 8 LEU CD1 1 1
15 2841 1 1 8 LEU CD2 C 4.307 10.224 -0.847 1.00 . A A . 8 LEU CD2 1 1
15 2842 1 1 8 LEU CG C 4.241 9.426 -2.141 1.00 . A A . 8 LEU CG 1 1
15 2843 1 1 8 LEU H H 1.401 9.199 -2.219 1.00 . A A . 8 LEU H 1 1
15 2844 1 1 8 LEU HA H 2.628 11.780 -2.054 1.00 . A A . 8 LEU HA 1 1
15 2845 1 1 8 LEU HB2 H 3.177 9.525 -3.977 1.00 . A A . 8 LEU HB2 1 1
15 2846 1 1 8 LEU HB3 H 4.222 10.909 -3.666 1.00 . A A . 8 LEU HB3 1 1
15 2847 1 1 8 LEU HD11 H 5.568 8.282 -3.367 1.00 . A A . 8 LEU HD11 1 1
15 2848 1 1 8 LEU HD12 H 6.205 8.666 -1.768 1.00 . A A . 8 LEU HD12 1 1
15 2849 1 1 8 LEU HD13 H 6.132 9.915 -3.012 1.00 . A A . 8 LEU HD13 1 1
15 2850 1 1 8 LEU HD21 H 5.127 9.864 -0.244 1.00 . A A . 8 LEU HD21 1 1
15 2851 1 1 8 LEU HD22 H 3.381 10.106 -0.304 1.00 . A A . 8 LEU HD22 1 1
15 2852 1 1 8 LEU HD23 H 4.459 11.268 -1.076 1.00 . A A . 8 LEU HD23 1 1
15 2853 1 1 8 LEU HG H 3.694 8.514 -1.945 1.00 . A A . 8 LEU HG 1 1
15 2854 1 1 8 LEU N N 1.340 10.168 -2.092 1.00 . A A . 8 LEU N 1 1
15 2855 1 1 8 LEU O O 2.097 12.815 -4.361 1.00 . A A . 8 LEU O 1 1
15 2856 1 1 9 ABA C C -1.081 12.728 -5.174 1.00 . A A . 9 AIB C 1 1
15 2857 1 1 9 ABA CA C -0.076 11.688 -5.659 1.00 . A A . 9 AIB CA 1 1
15 2858 1 1 9 ABA H H 0.325 10.263 -4.146 1.00 . A A . 9 AIB H 1 1
15 2859 1 1 9 ABA N N 0.625 11.120 -4.514 1.00 . A A . 9 AIB N 1 1
15 2860 1 1 9 ABA O O -1.571 13.543 -5.956 1.00 . A A . 9 AIB O 1 1
15 2861 1 1 10 ABA C C -1.842 15.059 -3.525 1.00 . A A . 10 AIB C 1 1
15 2862 1 1 10 ABA CA C -2.331 13.633 -3.292 1.00 . A A . 10 AIB CA 1 1
15 2863 1 1 10 ABA H H -0.960 12.020 -3.309 1.00 . A A . 10 AIB H 1 1
15 2864 1 1 10 ABA N N -1.384 12.693 -3.881 1.00 . A A . 10 AIB N 1 1
15 2865 1 1 10 ABA O O -2.553 15.904 -4.070 1.00 . A A . 10 AIB O 1 1
15 2866 1 1 11 HYP C C -0.006 17.144 -4.699 1.00 . A A . 11 HYP C 1 1
15 2867 1 1 11 HYP CA C 0.011 16.659 -3.253 1.00 . A A . 11 HYP CA 1 1
15 2868 1 1 11 HYP CB C 1.451 16.442 -2.780 1.00 . A A . 11 HYP CB 1 1
15 2869 1 1 11 HYP CD C 0.304 14.378 -2.444 1.00 . A A . 11 HYP CD 1 1
15 2870 1 1 11 HYP CG C 1.385 15.235 -1.909 1.00 . A A . 11 HYP CG 1 1
15 2871 1 1 11 HYP HA H -0.469 17.393 -2.623 1.00 . A A . 11 HYP HA 1 1
15 2872 1 1 11 HYP HB2 H 2.093 16.279 -3.635 1.00 . A A . 11 HYP HB2 1 1
15 2873 1 1 11 HYP HB3 H 1.787 17.307 -2.230 1.00 . A A . 11 HYP HB3 1 1
15 2874 1 1 11 HYP HD1 H 1.025 16.279 -0.274 1.00 . A A . 11 HYP HD1 1 1
15 2875 1 1 11 HYP HD22 H 0.566 13.572 -3.113 1.00 . A A . 11 HYP HD22 1 1
15 2876 1 1 11 HYP HD23 H -0.140 13.989 -1.539 1.00 . A A . 11 HYP HD23 1 1
15 2877 1 1 11 HYP HG H 2.114 14.513 -2.245 1.00 . A A . 11 HYP HG 1 1
15 2878 1 1 11 HYP N N -0.600 15.336 -3.102 1.00 . A A . 11 HYP N 1 1
15 2879 1 1 11 HYP O O 0.158 18.334 -4.966 1.00 . A A . 11 HYP O 1 1
15 2880 1 1 11 HYP OD1 O 1.623 15.576 -0.538 1.00 . A A . 11 HYP OD1 1 1
15 2881 1 1 12 GLN C C -1.659 16.923 -7.479 1.00 . A A . 12 GLN C 1 1
15 2882 1 1 12 GLN CA C -0.245 16.548 -7.046 1.00 . A A . 12 GLN CA 1 1
15 2883 1 1 12 GLN CB C 0.261 15.372 -7.883 1.00 . A A . 12 GLN CB 1 1
15 2884 1 1 12 GLN CD C 2.447 16.449 -8.551 1.00 . A A . 12 GLN CD 1 1
15 2885 1 1 12 GLN CG C 1.776 15.251 -7.908 1.00 . A A . 12 GLN CG 1 1
15 2886 1 1 12 GLN H H -0.331 15.283 -5.352 1.00 . A A . 12 GLN H 1 1
15 2887 1 1 12 GLN HA H 0.403 17.396 -7.205 1.00 . A A . 12 GLN HA 1 1
15 2888 1 1 12 GLN HB2 H -0.145 14.457 -7.479 1.00 . A A . 12 GLN HB2 1 1
15 2889 1 1 12 GLN HB3 H -0.085 15.492 -8.899 1.00 . A A . 12 GLN HB3 1 1
15 2890 1 1 12 GLN HE21 H 2.667 17.311 -6.774 1.00 . A A . 12 GLN HE21 1 1
15 2891 1 1 12 GLN HE22 H 3.270 18.207 -8.123 1.00 . A A . 12 GLN HE22 1 1
15 2892 1 1 12 GLN HG2 H 2.134 15.160 -6.893 1.00 . A A . 12 GLN HG2 1 1
15 2893 1 1 12 GLN HG3 H 2.045 14.365 -8.464 1.00 . A A . 12 GLN HG3 1 1
15 2894 1 1 12 GLN N N -0.207 16.214 -5.628 1.00 . A A . 12 GLN N 1 1
15 2895 1 1 12 GLN NE2 N 2.833 17.421 -7.734 1.00 . A A . 12 GLN NE2 1 1
15 2896 1 1 12 GLN O O -1.857 17.524 -8.535 1.00 . A A . 12 GLN O 1 1
15 2897 1 1 12 GLN OE1 O 2.615 16.500 -9.770 1.00 . A A . 12 GLN OE1 1 1
15 2898 1 1 13 . C C -4.225 18.375 -7.036 1.00 . A A . 13 DIV C 1 1
15 2899 1 1 13 . CA C -4.035 16.864 -6.954 1.00 . A A . 13 DIV CA 1 1
15 2900 1 1 13 . CB1 C -4.416 16.231 -8.288 1.00 . A A . 13 DIV CB1 1 1
15 2901 1 1 13 . CB2 C -4.922 16.298 -5.851 1.00 . A A . 13 DIV CB2 1 1
15 2902 1 1 13 . CG1 C -3.648 14.966 -8.604 1.00 . A A . 13 DIV CG1 1 1
15 2903 1 1 13 . H H -2.418 16.088 -5.829 1.00 . A A . 13 DIV H 1 1
15 2904 1 1 13 . HB11 H -4.240 16.940 -9.083 1.00 . A A . 13 DIV HB11 1 1
15 2905 1 1 13 . HB12 H -5.470 15.992 -8.281 1.00 . A A . 13 DIV HB12 1 1
15 2906 1 1 13 . HB21 H -5.808 15.862 -6.289 1.00 . A A . 13 DIV HB21 1 1
15 2907 1 1 13 . HB22 H -5.208 17.092 -5.177 1.00 . A A . 13 DIV HB22 1 1
15 2908 1 1 13 . HB23 H -4.380 15.541 -5.305 1.00 . A A . 13 DIV HB23 1 1
15 2909 1 1 13 . HG11 H -2.678 15.225 -9.004 1.00 . A A . 13 DIV HG11 1 1
15 2910 1 1 13 . HG12 H -4.194 14.386 -9.333 1.00 . A A . 13 DIV HG12 1 1
15 2911 1 1 13 . HG13 H -3.523 14.386 -7.702 1.00 . A A . 13 DIV HG13 1 1
15 2912 1 1 13 . N N -2.639 16.565 -6.656 1.00 . A A . 13 DIV N 1 1
15 2913 1 1 13 . O O -4.781 18.904 -7.998 1.00 . A A . 13 DIV O 1 1
15 2914 1 1 14 HYP C C -2.742 21.247 -6.703 1.00 . A A . 14 HYP C 1 1
15 2915 1 1 14 HYP CA C -3.858 20.548 -5.934 1.00 . A A . 14 HYP CA 1 1
15 2916 1 1 14 HYP CB C -3.741 20.842 -4.436 1.00 . A A . 14 HYP CB 1 1
15 2917 1 1 14 HYP CD C -3.078 18.523 -4.822 1.00 . A A . 14 HYP CD 1 1
15 2918 1 1 14 HYP CG C -3.016 19.668 -3.875 1.00 . A A . 14 HYP CG 1 1
15 2919 1 1 14 HYP HA H -4.815 20.894 -6.297 1.00 . A A . 14 HYP HA 1 1
15 2920 1 1 14 HYP HB2 H -3.185 21.758 -4.289 1.00 . A A . 14 HYP HB2 1 1
15 2921 1 1 14 HYP HB3 H -4.727 20.940 -4.007 1.00 . A A . 14 HYP HB3 1 1
15 2922 1 1 14 HYP HD1 H -3.136 18.533 -2.266 1.00 . A A . 14 HYP HD1 1 1
15 2923 1 1 14 HYP HD22 H -2.101 18.140 -5.081 1.00 . A A . 14 HYP HD22 1 1
15 2924 1 1 14 HYP HD23 H -3.679 17.749 -4.368 1.00 . A A . 14 HYP HD23 1 1
15 2925 1 1 14 HYP HG H -1.952 19.851 -3.921 1.00 . A A . 14 HYP HG 1 1
15 2926 1 1 14 HYP N N -3.752 19.087 -6.002 1.00 . A A . 14 HYP N 1 1
15 2927 1 1 14 HYP O O -2.724 22.472 -6.812 1.00 . A A . 14 HYP O 1 1
15 2928 1 1 14 HYP OD1 O -3.415 19.415 -2.522 1.00 . A A . 14 HYP OD1 1 1
15 2929 1 1 15 ABA C C -1.224 21.867 -9.133 1.00 . A A . 15 AIB C 1 1
15 2930 1 1 15 ABA CA C -0.693 21.003 -7.994 1.00 . A A . 15 AIB CA 1 1
15 2931 1 1 15 ABA H H -1.882 19.489 -7.113 1.00 . A A . 15 AIB H 1 1
15 2932 1 1 15 ABA N N -1.813 20.459 -7.235 1.00 . A A . 15 AIB N 1 1
15 2933 1 1 15 ABA O O -0.891 23.045 -9.258 1.00 . A A . 15 AIB O 1 1
15 2934 1 1 16 PRO C C -3.204 23.341 -10.754 1.00 . A A . 16 PRO C 1 1
15 2935 1 1 16 PRO CA C -2.665 21.966 -11.130 1.00 . A A . 16 PRO CA 1 1
15 2936 1 1 16 PRO CB C -3.808 21.040 -11.553 1.00 . A A . 16 PRO CB 1 1
15 2937 1 1 16 PRO CD C -2.510 19.867 -9.897 1.00 . A A . 16 PRO CD 1 1
15 2938 1 1 16 PRO CG C -3.396 19.689 -11.081 1.00 . A A . 16 PRO CG 1 1
15 2939 1 1 16 PRO HA H -1.961 22.066 -11.943 1.00 . A A . 16 PRO HA 1 1
15 2940 1 1 16 PRO HB2 H -4.727 21.361 -11.082 1.00 . A A . 16 PRO HB2 1 1
15 2941 1 1 16 PRO HB3 H -3.919 21.067 -12.626 1.00 . A A . 16 PRO HB3 1 1
15 2942 1 1 16 PRO HD2 H -3.018 19.680 -8.963 1.00 . A A . 16 PRO HD2 1 1
15 2943 1 1 16 PRO HD3 H -1.675 19.192 -10.017 1.00 . A A . 16 PRO HD3 1 1
15 2944 1 1 16 PRO HG2 H -4.266 19.118 -10.795 1.00 . A A . 16 PRO HG2 1 1
15 2945 1 1 16 PRO HG3 H -2.851 19.178 -11.862 1.00 . A A . 16 PRO HG3 1 1
15 2946 1 1 16 PRO N N -2.070 21.269 -9.985 1.00 . A A . 16 PRO N 1 1
15 2947 1 1 16 PRO O O -3.201 24.264 -11.568 1.00 . A A . 16 PRO O 1 1
15 2948 1 1 17 PHL C C -3.173 25.495 -8.209 1.00 . A A . 17 PHL C 1 1
15 2949 1 1 17 PHL CA C -4.210 24.736 -9.031 1.00 . A A . 17 PHL CA 1 1
15 2950 1 1 17 PHL CB C -5.463 24.487 -8.187 1.00 . A A . 17 PHL CB 1 1
15 2951 1 1 17 PHL CD1 C -7.377 23.062 -8.963 1.00 . A A . 17 PHL CD1 1 1
15 2952 1 1 17 PHL CD2 C -7.196 25.281 -9.819 1.00 . A A . 17 PHL CD2 1 1
15 2953 1 1 17 PHL CE1 C -8.520 22.862 -9.714 1.00 . A A . 17 PHL CE1 1 1
15 2954 1 1 17 PHL CE2 C -8.338 25.086 -10.572 1.00 . A A . 17 PHL CE2 1 1
15 2955 1 1 17 PHL CG C -6.704 24.273 -9.006 1.00 . A A . 17 PHL CG 1 1
15 2956 1 1 17 PHL CZ C -9.000 23.874 -10.521 1.00 . A A . 17 PHL CZ 1 1
15 2957 1 1 17 PHL H H -3.642 22.700 -8.911 1.00 . A A . 17 PHL H 1 1
15 2958 1 1 17 PHL HA H -4.478 25.331 -9.890 1.00 . A A . 17 PHL HA 1 1
15 2959 1 1 17 PHL HB2 H -5.310 23.608 -7.580 1.00 . A A . 17 PHL HB2 1 1
15 2960 1 1 17 PHL HB3 H -5.630 25.339 -7.545 1.00 . A A . 17 PHL HB3 1 1
15 2961 1 1 17 PHL HC1 H -3.324 25.284 -7.161 1.00 . A A . 17 PHL HC1 1 1
15 2962 1 1 17 PHL HC2 H -2.183 25.179 -8.505 1.00 . A A . 17 PHL HC2 1 1
15 2963 1 1 17 PHL HD1 H -7.001 22.269 -8.332 1.00 . A A . 17 PHL HD1 1 1
15 2964 1 1 17 PHL HD2 H -6.679 26.228 -9.861 1.00 . A A . 17 PHL HD2 1 1
15 2965 1 1 17 PHL HE1 H -9.034 21.913 -9.671 1.00 . A A . 17 PHL HE1 1 1
15 2966 1 1 17 PHL HE2 H -8.712 25.879 -11.202 1.00 . A A . 17 PHL HE2 1 1
15 2967 1 1 17 PHL HO H -3.034 27.122 -9.317 1.00 . A A . 17 PHL HO 1 1
15 2968 1 1 17 PHL HZ H -9.893 23.720 -11.108 1.00 . A A . 17 PHL HZ 1 1
15 2969 1 1 17 PHL N N -3.667 23.472 -9.515 1.00 . A A . 17 PHL N 1 1
15 2970 1 1 17 PHL O O -3.286 26.909 -8.416 1.00 . A A . 17 PHL O 1 1
16 2971 1 1 1 ACE C C 1.669 0.920 -2.139 1.00 . A A . 1 ACE C 1 1
16 2972 1 1 1 ACE CH3 C 2.262 -0.013 -1.102 1.00 . A A . 1 ACE CH3 1 1
16 2973 1 1 1 ACE H1 H 2.799 -0.808 -1.597 1.00 . A A . 1 ACE H1 1 1
16 2974 1 1 1 ACE H2 H 1.470 -0.433 -0.500 1.00 . A A . 1 ACE H2 1 1
16 2975 1 1 1 ACE H3 H 2.941 0.539 -0.468 1.00 . A A . 1 ACE H3 1 1
16 2976 1 1 1 ACE O O 1.914 2.126 -2.112 1.00 . A A . 1 ACE O 1 1
16 2977 1 1 2 PHE C C -0.731 2.152 -3.522 1.00 . A A . 2 PHE C 1 1
16 2978 1 1 2 PHE CA C 0.260 1.151 -4.110 1.00 . A A . 2 PHE CA 1 1
16 2979 1 1 2 PHE CB C -0.454 0.236 -5.107 1.00 . A A . 2 PHE CB 1 1
16 2980 1 1 2 PHE CD1 C -1.959 1.606 -6.575 1.00 . A A . 2 PHE CD1 1 1
16 2981 1 1 2 PHE CD2 C 0.108 0.835 -7.478 1.00 . A A . 2 PHE CD2 1 1
16 2982 1 1 2 PHE CE1 C -2.257 2.223 -7.775 1.00 . A A . 2 PHE CE1 1 1
16 2983 1 1 2 PHE CE2 C -0.183 1.450 -8.681 1.00 . A A . 2 PHE CE2 1 1
16 2984 1 1 2 PHE CG C -0.775 0.906 -6.413 1.00 . A A . 2 PHE CG 1 1
16 2985 1 1 2 PHE CZ C -1.367 2.145 -8.829 1.00 . A A . 2 PHE CZ 1 1
16 2986 1 1 2 PHE H H 0.730 -0.606 -3.027 1.00 . A A . 2 PHE H 1 1
16 2987 1 1 2 PHE HA H 1.037 1.693 -4.626 1.00 . A A . 2 PHE HA 1 1
16 2988 1 1 2 PHE HB2 H 0.175 -0.616 -5.317 1.00 . A A . 2 PHE HB2 1 1
16 2989 1 1 2 PHE HB3 H -1.381 -0.105 -4.671 1.00 . A A . 2 PHE HB3 1 1
16 2990 1 1 2 PHE HD1 H -2.655 1.669 -5.751 1.00 . A A . 2 PHE HD1 1 1
16 2991 1 1 2 PHE HD2 H 1.036 0.291 -7.362 1.00 . A A . 2 PHE HD2 1 1
16 2992 1 1 2 PHE HE1 H -3.183 2.766 -7.889 1.00 . A A . 2 PHE HE1 1 1
16 2993 1 1 2 PHE HE2 H 0.514 1.387 -9.503 1.00 . A A . 2 PHE HE2 1 1
16 2994 1 1 2 PHE HZ H -1.598 2.626 -9.769 1.00 . A A . 2 PHE HZ 1 1
16 2995 1 1 2 PHE N N 0.887 0.361 -3.058 1.00 . A A . 2 PHE N 1 1
16 2996 1 1 2 PHE O O -0.635 3.354 -3.768 1.00 . A A . 2 PHE O 1 1
16 2997 1 1 3 ABA C C -2.005 3.616 -1.348 1.00 . A A . 3 AIB C 1 1
16 2998 1 1 3 ABA CA C -2.691 2.495 -2.121 1.00 . A A . 3 AIB CA 1 1
16 2999 1 1 3 ABA H H -1.707 0.680 -2.586 1.00 . A A . 3 AIB H 1 1
16 3000 1 1 3 ABA N N -1.682 1.646 -2.744 1.00 . A A . 3 AIB N 1 1
16 3001 1 1 3 ABA O O -2.354 4.787 -1.494 1.00 . A A . 3 AIB O 1 1
16 3002 1 1 4 ABA C C 0.431 5.196 -0.656 1.00 . A A . 4 AIB C 1 1
16 3003 1 1 4 ABA CA C -0.293 4.224 0.270 1.00 . A A . 4 AIB CA 1 1
16 3004 1 1 4 ABA H H -0.796 2.300 -0.453 1.00 . A A . 4 AIB H 1 1
16 3005 1 1 4 ABA N N -1.028 3.249 -0.526 1.00 . A A . 4 AIB N 1 1
16 3006 1 1 4 ABA O O 0.522 6.389 -0.372 1.00 . A A . 4 AIB O 1 1
16 3007 1 1 5 ABA C C 0.770 6.657 -3.173 1.00 . A A . 5 AIB C 1 1
16 3008 1 1 5 ABA CA C 1.658 5.497 -2.736 1.00 . A A . 5 AIB CA 1 1
16 3009 1 1 5 ABA H H 0.838 3.717 -1.938 1.00 . A A . 5 AIB H 1 1
16 3010 1 1 5 ABA N N 0.943 4.676 -1.767 1.00 . A A . 5 AIB N 1 1
16 3011 1 1 5 ABA O O 1.259 7.743 -3.483 1.00 . A A . 5 AIB O 1 1
16 3012 1 1 6 . C C -1.246 8.713 -2.787 1.00 . A A . 6 DIV C 1 1
16 3013 1 1 6 . CA C -1.494 7.444 -3.595 1.00 . A A . 6 DIV CA 1 1
16 3014 1 1 6 . CB1 C -1.325 7.746 -5.080 1.00 . A A . 6 DIV CB1 1 1
16 3015 1 1 6 . CB2 C -2.911 6.945 -3.335 1.00 . A A . 6 DIV CB2 1 1
16 3016 1 1 6 . CG1 C -1.269 6.510 -5.950 1.00 . A A . 6 DIV CG1 1 1
16 3017 1 1 6 . H H -0.866 5.533 -2.937 1.00 . A A . 6 DIV H 1 1
16 3018 1 1 6 . HB11 H -0.412 8.304 -5.229 1.00 . A A . 6 DIV HB11 1 1
16 3019 1 1 6 . HB12 H -2.149 8.358 -5.415 1.00 . A A . 6 DIV HB12 1 1
16 3020 1 1 6 . HB21 H -3.032 5.963 -3.769 1.00 . A A . 6 DIV HB21 1 1
16 3021 1 1 6 . HB22 H -3.620 7.626 -3.783 1.00 . A A . 6 DIV HB22 1 1
16 3022 1 1 6 . HB23 H -3.085 6.893 -2.271 1.00 . A A . 6 DIV HB23 1 1
16 3023 1 1 6 . HG11 H -2.075 5.842 -5.680 1.00 . A A . 6 DIV HG11 1 1
16 3024 1 1 6 . HG12 H -0.323 6.009 -5.805 1.00 . A A . 6 DIV HG12 1 1
16 3025 1 1 6 . HG13 H -1.371 6.794 -6.987 1.00 . A A . 6 DIV HG13 1 1
16 3026 1 1 6 . N N -0.537 6.419 -3.195 1.00 . A A . 6 DIV N 1 1
16 3027 1 1 6 . O O -1.447 9.823 -3.277 1.00 . A A . 6 DIV O 1 1
16 3028 1 1 7 GLY C C 0.393 10.687 -1.335 1.00 . A A . 7 GLY C 1 1
16 3029 1 1 7 GLY CA C -0.538 9.681 -0.687 1.00 . A A . 7 GLY CA 1 1
16 3030 1 1 7 GLY H H -0.664 7.632 -1.205 1.00 . A A . 7 GLY H 1 1
16 3031 1 1 7 GLY HA2 H -1.473 10.170 -0.453 1.00 . A A . 7 GLY HA2 1 1
16 3032 1 1 7 GLY HA3 H -0.088 9.330 0.230 1.00 . A A . 7 GLY HA3 1 1
16 3033 1 1 7 GLY N N -0.807 8.541 -1.543 1.00 . A A . 7 GLY N 1 1
16 3034 1 1 7 GLY O O 0.259 11.893 -1.125 1.00 . A A . 7 GLY O 1 1
16 3035 1 1 8 LEU C C 1.651 11.761 -3.989 1.00 . A A . 8 LEU C 1 1
16 3036 1 1 8 LEU CA C 2.299 11.054 -2.803 1.00 . A A . 8 LEU CA 1 1
16 3037 1 1 8 LEU CB C 3.503 10.239 -3.277 1.00 . A A . 8 LEU CB 1 1
16 3038 1 1 8 LEU CD1 C 5.629 9.054 -2.677 1.00 . A A . 8 LEU CD1 1 1
16 3039 1 1 8 LEU CD2 C 4.317 10.235 -0.906 1.00 . A A . 8 LEU CD2 1 1
16 3040 1 1 8 LEU CG C 4.238 9.439 -2.200 1.00 . A A . 8 LEU CG 1 1
16 3041 1 1 8 LEU H H 1.396 9.221 -2.252 1.00 . A A . 8 LEU H 1 1
16 3042 1 1 8 LEU HA H 2.634 11.798 -2.096 1.00 . A A . 8 LEU HA 1 1
16 3043 1 1 8 LEU HB2 H 3.157 9.543 -4.026 1.00 . A A . 8 LEU HB2 1 1
16 3044 1 1 8 LEU HB3 H 4.211 10.923 -3.723 1.00 . A A . 8 LEU HB3 1 1
16 3045 1 1 8 LEU HD11 H 6.126 9.925 -3.078 1.00 . A A . 8 LEU HD11 1 1
16 3046 1 1 8 LEU HD12 H 5.550 8.299 -3.446 1.00 . A A . 8 LEU HD12 1 1
16 3047 1 1 8 LEU HD13 H 6.199 8.663 -1.847 1.00 . A A . 8 LEU HD13 1 1
16 3048 1 1 8 LEU HD21 H 5.140 9.870 -0.309 1.00 . A A . 8 LEU HD21 1 1
16 3049 1 1 8 LEU HD22 H 3.395 10.119 -0.355 1.00 . A A . 8 LEU HD22 1 1
16 3050 1 1 8 LEU HD23 H 4.472 11.279 -1.134 1.00 . A A . 8 LEU HD23 1 1
16 3051 1 1 8 LEU HG H 3.690 8.528 -2.001 1.00 . A A . 8 LEU HG 1 1
16 3052 1 1 8 LEU N N 1.340 10.191 -2.123 1.00 . A A . 8 LEU N 1 1
16 3053 1 1 8 LEU O O 2.085 12.837 -4.397 1.00 . A A . 8 LEU O 1 1
16 3054 1 1 9 ABA C C -1.101 12.762 -5.181 1.00 . A A . 9 AIB C 1 1
16 3055 1 1 9 ABA CA C -0.104 11.719 -5.675 1.00 . A A . 9 AIB CA 1 1
16 3056 1 1 9 ABA H H 0.307 10.291 -4.168 1.00 . A A . 9 AIB H 1 1
16 3057 1 1 9 ABA N N 0.606 11.148 -4.538 1.00 . A A . 9 AIB N 1 1
16 3058 1 1 9 ABA O O -1.595 13.579 -5.957 1.00 . A A . 9 AIB O 1 1
16 3059 1 1 10 ABA C C -1.838 15.094 -3.522 1.00 . A A . 10 AIB C 1 1
16 3060 1 1 10 ABA CA C -2.329 13.670 -3.287 1.00 . A A . 10 AIB CA 1 1
16 3061 1 1 10 ABA H H -0.965 12.052 -3.317 1.00 . A A . 10 AIB H 1 1
16 3062 1 1 10 ABA N N -1.391 12.728 -3.885 1.00 . A A . 10 AIB N 1 1
16 3063 1 1 10 ABA O O -2.551 15.942 -4.060 1.00 . A A . 10 AIB O 1 1
16 3064 1 1 11 HYP C C -0.006 17.174 -4.712 1.00 . A A . 11 HYP C 1 1
16 3065 1 1 11 HYP CA C 0.024 16.688 -3.267 1.00 . A A . 11 HYP CA 1 1
16 3066 1 1 11 HYP CB C 1.466 16.465 -2.807 1.00 . A A . 11 HYP CB 1 1
16 3067 1 1 11 HYP CD C 0.316 14.404 -2.462 1.00 . A A . 11 HYP CD 1 1
16 3068 1 1 11 HYP CG C 1.404 15.258 -1.936 1.00 . A A . 11 HYP CG 1 1
16 3069 1 1 11 HYP HA H -0.449 17.423 -2.631 1.00 . A A . 11 HYP HA 1 1
16 3070 1 1 11 HYP HB2 H 2.100 16.300 -3.667 1.00 . A A . 11 HYP HB2 1 1
16 3071 1 1 11 HYP HB3 H 1.811 17.329 -2.259 1.00 . A A . 11 HYP HB3 1 1
16 3072 1 1 11 HYP HD1 H 1.324 16.502 -0.407 1.00 . A A . 11 HYP HD1 1 1
16 3073 1 1 11 HYP HD22 H 0.568 13.598 -3.135 1.00 . A A . 11 HYP HD22 1 1
16 3074 1 1 11 HYP HD23 H -0.121 14.017 -1.553 1.00 . A A . 11 HYP HD23 1 1
16 3075 1 1 11 HYP HG H 2.147 14.545 -2.262 1.00 . A A . 11 HYP HG 1 1
16 3076 1 1 11 HYP N N -0.591 15.366 -3.111 1.00 . A A . 11 HYP N 1 1
16 3077 1 1 11 HYP O O 0.160 18.364 -4.979 1.00 . A A . 11 HYP O 1 1
16 3078 1 1 11 HYP OD1 O 1.619 15.602 -0.562 1.00 . A A . 11 HYP OD1 1 1
16 3079 1 1 12 GLN C C -1.685 16.962 -7.476 1.00 . A A . 12 GLN C 1 1
16 3080 1 1 12 GLN CA C -0.269 16.581 -7.057 1.00 . A A . 12 GLN CA 1 1
16 3081 1 1 12 GLN CB C 0.226 15.404 -7.899 1.00 . A A . 12 GLN CB 1 1
16 3082 1 1 12 GLN CD C 2.415 16.514 -8.500 1.00 . A A . 12 GLN CD 1 1
16 3083 1 1 12 GLN CG C 1.740 15.278 -7.939 1.00 . A A . 12 GLN CG 1 1
16 3084 1 1 12 GLN H H -0.343 15.314 -5.363 1.00 . A A . 12 GLN H 1 1
16 3085 1 1 12 GLN HA H 0.381 17.427 -7.221 1.00 . A A . 12 GLN HA 1 1
16 3086 1 1 12 GLN HB2 H -0.179 14.490 -7.492 1.00 . A A . 12 GLN HB2 1 1
16 3087 1 1 12 GLN HB3 H -0.129 15.527 -8.912 1.00 . A A . 12 GLN HB3 1 1
16 3088 1 1 12 GLN HE21 H 2.660 17.244 -6.667 1.00 . A A . 12 GLN HE21 1 1
16 3089 1 1 12 GLN HE22 H 3.256 18.230 -7.953 1.00 . A A . 12 GLN HE22 1 1
16 3090 1 1 12 GLN HG2 H 2.102 15.115 -6.934 1.00 . A A . 12 GLN HG2 1 1
16 3091 1 1 12 GLN HG3 H 2.002 14.431 -8.556 1.00 . A A . 12 GLN HG3 1 1
16 3092 1 1 12 GLN N N -0.218 16.246 -5.639 1.00 . A A . 12 GLN N 1 1
16 3093 1 1 12 GLN NE2 N 2.817 17.422 -7.618 1.00 . A A . 12 GLN NE2 1 1
16 3094 1 1 12 GLN O O -1.890 17.564 -8.530 1.00 . A A . 12 GLN O 1 1
16 3095 1 1 12 GLN OE1 O 2.572 16.653 -9.714 1.00 . A A . 12 GLN OE1 1 1
16 3096 1 1 13 . C C -4.241 18.421 -7.008 1.00 . A A . 13 DIV C 1 1
16 3097 1 1 13 . CA C -4.056 16.910 -6.930 1.00 . A A . 13 DIV CA 1 1
16 3098 1 1 13 . CB1 C -4.452 16.279 -8.261 1.00 . A A . 13 DIV CB1 1 1
16 3099 1 1 13 . CB2 C -4.935 16.347 -5.818 1.00 . A A . 13 DIV CB2 1 1
16 3100 1 1 13 . CG1 C -3.691 15.013 -8.585 1.00 . A A . 13 DIV CG1 1 1
16 3101 1 1 13 . H H -2.432 16.127 -5.821 1.00 . A A . 13 DIV H 1 1
16 3102 1 1 13 . HB11 H -4.281 16.989 -9.056 1.00 . A A . 13 DIV HB11 1 1
16 3103 1 1 13 . HB12 H -5.506 16.044 -8.244 1.00 . A A . 13 DIV HB12 1 1
16 3104 1 1 13 . HB21 H -5.212 17.141 -5.141 1.00 . A A . 13 DIV HB21 1 1
16 3105 1 1 13 . HB22 H -4.390 15.587 -5.278 1.00 . A A . 13 DIV HB22 1 1
16 3106 1 1 13 . HB23 H -5.826 15.913 -6.249 1.00 . A A . 13 DIV HB23 1 1
16 3107 1 1 13 . HG11 H -4.246 14.435 -9.310 1.00 . A A . 13 DIV HG11 1 1
16 3108 1 1 13 . HG12 H -3.560 14.431 -7.685 1.00 . A A . 13 DIV HG12 1 1
16 3109 1 1 13 . HG13 H -2.724 15.268 -8.992 1.00 . A A . 13 DIV HG13 1 1
16 3110 1 1 13 . N N -2.659 16.606 -6.645 1.00 . A A . 13 DIV N 1 1
16 3111 1 1 13 . O O -4.805 18.954 -7.965 1.00 . A A . 13 DIV O 1 1
16 3112 1 1 14 HYP C C -2.745 21.288 -6.686 1.00 . A A . 14 HYP C 1 1
16 3113 1 1 14 HYP CA C -3.857 20.592 -5.908 1.00 . A A . 14 HYP CA 1 1
16 3114 1 1 14 HYP CB C -3.725 20.885 -4.411 1.00 . A A . 14 HYP CB 1 1
16 3115 1 1 14 HYP CD C -3.073 18.563 -4.804 1.00 . A A . 14 HYP CD 1 1
16 3116 1 1 14 HYP CG C -2.999 19.708 -3.858 1.00 . A A . 14 HYP CG 1 1
16 3117 1 1 14 HYP HA H -4.816 20.942 -6.261 1.00 . A A . 14 HYP HA 1 1
16 3118 1 1 14 HYP HB2 H -3.165 21.798 -4.268 1.00 . A A . 14 HYP HB2 1 1
16 3119 1 1 14 HYP HB3 H -4.706 20.985 -3.972 1.00 . A A . 14 HYP HB3 1 1
16 3120 1 1 14 HYP HD1 H -3.166 19.615 -1.894 1.00 . A A . 14 HYP HD1 1 1
16 3121 1 1 14 HYP HD22 H -2.101 18.178 -5.073 1.00 . A A . 14 HYP HD22 1 1
16 3122 1 1 14 HYP HD23 H -3.674 17.791 -4.346 1.00 . A A . 14 HYP HD23 1 1
16 3123 1 1 14 HYP HG H -1.972 19.981 -3.666 1.00 . A A . 14 HYP HG 1 1
16 3124 1 1 14 HYP N N -3.757 19.132 -5.979 1.00 . A A . 14 HYP N 1 1
16 3125 1 1 14 HYP O O -2.724 22.514 -6.795 1.00 . A A . 14 HYP O 1 1
16 3126 1 1 14 HYP OD1 O -3.618 19.240 -2.653 1.00 . A A . 14 HYP OD1 1 1
16 3127 1 1 15 ABA C C -1.248 21.905 -9.130 1.00 . A A . 15 AIB C 1 1
16 3128 1 1 15 ABA CA C -0.710 21.038 -7.996 1.00 . A A . 15 AIB CA 1 1
16 3129 1 1 15 ABA H H -1.895 19.528 -7.106 1.00 . A A . 15 AIB H 1 1
16 3130 1 1 15 ABA N N -1.824 20.498 -7.227 1.00 . A A . 15 AIB N 1 1
16 3131 1 1 15 ABA O O -0.912 23.083 -9.257 1.00 . A A . 15 AIB O 1 1
16 3132 1 1 16 PRO C C -3.238 23.388 -10.731 1.00 . A A . 16 PRO C 1 1
16 3133 1 1 16 PRO CA C -2.707 22.011 -11.113 1.00 . A A . 16 PRO CA 1 1
16 3134 1 1 16 PRO CB C -3.857 21.090 -11.526 1.00 . A A . 16 PRO CB 1 1
16 3135 1 1 16 PRO CD C -2.548 19.910 -9.884 1.00 . A A . 16 PRO CD 1 1
16 3136 1 1 16 PRO CG C -3.445 19.737 -11.060 1.00 . A A . 16 PRO CG 1 1
16 3137 1 1 16 PRO HA H -2.010 22.110 -11.932 1.00 . A A . 16 PRO HA 1 1
16 3138 1 1 16 PRO HB2 H -4.771 21.413 -11.047 1.00 . A A . 16 PRO HB2 1 1
16 3139 1 1 16 PRO HB3 H -3.978 21.118 -12.599 1.00 . A A . 16 PRO HB3 1 1
16 3140 1 1 16 PRO HD2 H -3.047 19.724 -8.945 1.00 . A A . 16 PRO HD2 1 1
16 3141 1 1 16 PRO HD3 H -1.716 19.233 -10.012 1.00 . A A . 16 PRO HD3 1 1
16 3142 1 1 16 PRO HG2 H -4.315 19.169 -10.765 1.00 . A A . 16 PRO HG2 1 1
16 3143 1 1 16 PRO HG3 H -2.910 19.225 -11.846 1.00 . A A . 16 PRO HG3 1 1
16 3144 1 1 16 PRO N N -2.103 21.311 -9.975 1.00 . A A . 16 PRO N 1 1
16 3145 1 1 16 PRO O O -3.239 24.312 -11.545 1.00 . A A . 16 PRO O 1 1
16 3146 1 1 17 PHL C C -3.193 25.515 -8.139 1.00 . A A . 17 PHL C 1 1
16 3147 1 1 17 PHL CA C -4.223 24.785 -8.997 1.00 . A A . 17 PHL CA 1 1
16 3148 1 1 17 PHL CB C -5.499 24.544 -8.188 1.00 . A A . 17 PHL CB 1 1
16 3149 1 1 17 PHL CD1 C -6.678 22.517 -9.080 1.00 . A A . 17 PHL CD1 1 1
16 3150 1 1 17 PHL CD2 C -7.551 24.667 -9.627 1.00 . A A . 17 PHL CD2 1 1
16 3151 1 1 17 PHL CE1 C -7.688 21.917 -9.808 1.00 . A A . 17 PHL CE1 1 1
16 3152 1 1 17 PHL CE2 C -8.564 24.073 -10.356 1.00 . A A . 17 PHL CE2 1 1
16 3153 1 1 17 PHL CG C -6.598 23.897 -8.981 1.00 . A A . 17 PHL CG 1 1
16 3154 1 1 17 PHL CZ C -8.632 22.697 -10.448 1.00 . A A . 17 PHL CZ 1 1
16 3155 1 1 17 PHL H H -3.661 22.747 -8.885 1.00 . A A . 17 PHL H 1 1
16 3156 1 1 17 PHL HA H -4.460 25.397 -9.853 1.00 . A A . 17 PHL HA 1 1
16 3157 1 1 17 PHL HB2 H -5.271 23.901 -7.352 1.00 . A A . 17 PHL HB2 1 1
16 3158 1 1 17 PHL HB3 H -5.867 25.490 -7.820 1.00 . A A . 17 PHL HB3 1 1
16 3159 1 1 17 PHL HC1 H -3.695 26.256 -7.536 1.00 . A A . 17 PHL HC1 1 1
16 3160 1 1 17 PHL HC2 H -2.693 24.802 -7.500 1.00 . A A . 17 PHL HC2 1 1
16 3161 1 1 17 PHL HD1 H -5.940 21.906 -8.580 1.00 . A A . 17 PHL HD1 1 1
16 3162 1 1 17 PHL HD2 H -7.499 25.744 -9.557 1.00 . A A . 17 PHL HD2 1 1
16 3163 1 1 17 PHL HE1 H -7.738 20.841 -9.878 1.00 . A A . 17 PHL HE1 1 1
16 3164 1 1 17 PHL HE2 H -9.300 24.685 -10.856 1.00 . A A . 17 PHL HE2 1 1
16 3165 1 1 17 PHL HO H -1.932 26.981 -8.529 1.00 . A A . 17 PHL HO 1 1
16 3166 1 1 17 PHL HZ H -9.423 22.231 -11.017 1.00 . A A . 17 PHL HZ 1 1
16 3167 1 1 17 PHL N N -3.688 23.520 -9.487 1.00 . A A . 17 PHL N 1 1
16 3168 1 1 17 PHL O O -2.214 26.169 -8.956 1.00 . A A . 17 PHL O 1 1
17 3169 1 1 1 ACE C C 1.561 0.928 -2.228 1.00 . A A . 1 ACE C 1 1
17 3170 1 1 1 ACE CH3 C 2.153 -0.022 -1.205 1.00 . A A . 1 ACE CH3 1 1
17 3171 1 1 1 ACE H1 H 3.224 -0.064 -1.328 1.00 . A A . 1 ACE H1 1 1
17 3172 1 1 1 ACE H2 H 1.735 -1.008 -1.344 1.00 . A A . 1 ACE H2 1 1
17 3173 1 1 1 ACE H3 H 1.918 0.330 -0.210 1.00 . A A . 1 ACE H3 1 1
17 3174 1 1 1 ACE O O 1.812 2.132 -2.185 1.00 . A A . 1 ACE O 1 1
17 3175 1 1 2 PHE C C -0.835 2.189 -3.589 1.00 . A A . 2 PHE C 1 1
17 3176 1 1 2 PHE CA C 0.149 1.192 -4.193 1.00 . A A . 2 PHE CA 1 1
17 3177 1 1 2 PHE CB C -0.571 0.293 -5.200 1.00 . A A . 2 PHE CB 1 1
17 3178 1 1 2 PHE CD1 C 0.085 1.656 -7.202 1.00 . A A . 2 PHE CD1 1 1
17 3179 1 1 2 PHE CD2 C -2.187 0.960 -7.000 1.00 . A A . 2 PHE CD2 1 1
17 3180 1 1 2 PHE CE1 C -0.214 2.293 -8.392 1.00 . A A . 2 PHE CE1 1 1
17 3181 1 1 2 PHE CE2 C -2.491 1.595 -8.189 1.00 . A A . 2 PHE CE2 1 1
17 3182 1 1 2 PHE CG C -0.898 0.984 -6.493 1.00 . A A . 2 PHE CG 1 1
17 3183 1 1 2 PHE CZ C -1.503 2.262 -8.887 1.00 . A A . 2 PHE CZ 1 1
17 3184 1 1 2 PHE H H 0.614 -0.582 -3.134 1.00 . A A . 2 PHE H 1 1
17 3185 1 1 2 PHE HA H 0.929 1.737 -4.702 1.00 . A A . 2 PHE HA 1 1
17 3186 1 1 2 PHE HB2 H 0.056 -0.556 -5.427 1.00 . A A . 2 PHE HB2 1 1
17 3187 1 1 2 PHE HB3 H -1.496 -0.054 -4.764 1.00 . A A . 2 PHE HB3 1 1
17 3188 1 1 2 PHE HD1 H 1.093 1.681 -6.817 1.00 . A A . 2 PHE HD1 1 1
17 3189 1 1 2 PHE HD2 H -2.962 0.439 -6.455 1.00 . A A . 2 PHE HD2 1 1
17 3190 1 1 2 PHE HE1 H 0.561 2.813 -8.935 1.00 . A A . 2 PHE HE1 1 1
17 3191 1 1 2 PHE HE2 H -3.500 1.568 -8.573 1.00 . A A . 2 PHE HE2 1 1
17 3192 1 1 2 PHE HZ H -1.738 2.759 -9.816 1.00 . A A . 2 PHE HZ 1 1
17 3193 1 1 2 PHE N N 0.776 0.385 -3.152 1.00 . A A . 2 PHE N 1 1
17 3194 1 1 2 PHE O O -0.734 3.394 -3.819 1.00 . A A . 2 PHE O 1 1
17 3195 1 1 3 ABA C C -2.098 3.630 -1.393 1.00 . A A . 3 AIB C 1 1
17 3196 1 1 3 ABA CA C -2.791 2.522 -2.179 1.00 . A A . 3 AIB CA 1 1
17 3197 1 1 3 ABA H H -1.816 0.709 -2.670 1.00 . A A . 3 AIB H 1 1
17 3198 1 1 3 ABA N N -1.788 1.678 -2.816 1.00 . A A . 3 AIB N 1 1
17 3199 1 1 3 ABA O O -2.441 4.805 -1.522 1.00 . A A . 3 AIB O 1 1
17 3200 1 1 4 ABA C C 0.347 5.189 -0.685 1.00 . A A . 4 AIB C 1 1
17 3201 1 1 4 ABA CA C -0.379 4.209 0.230 1.00 . A A . 4 AIB CA 1 1
17 3202 1 1 4 ABA H H -0.893 2.296 -0.518 1.00 . A A . 4 AIB H 1 1
17 3203 1 1 4 ABA N N -1.121 3.248 -0.578 1.00 . A A . 4 AIB N 1 1
17 3204 1 1 4 ABA O O 0.444 6.378 -0.384 1.00 . A A . 4 AIB O 1 1
17 3205 1 1 5 ABA C C 0.687 6.682 -3.184 1.00 . A A . 5 AIB C 1 1
17 3206 1 1 5 ABA CA C 1.571 5.512 -2.763 1.00 . A A . 5 AIB CA 1 1
17 3207 1 1 5 ABA H H 0.744 3.725 -1.988 1.00 . A A . 5 AIB H 1 1
17 3208 1 1 5 ABA N N 0.854 4.681 -1.804 1.00 . A A . 5 AIB N 1 1
17 3209 1 1 5 ABA O O 1.180 7.770 -3.481 1.00 . A A . 5 AIB O 1 1
17 3210 1 1 6 . C C -1.320 8.741 -2.764 1.00 . A A . 6 DIV C 1 1
17 3211 1 1 6 . CA C -1.574 7.484 -3.590 1.00 . A A . 6 DIV CA 1 1
17 3212 1 1 6 . CB1 C -1.405 7.806 -5.071 1.00 . A A . 6 DIV CB1 1 1
17 3213 1 1 6 . CB2 C -2.993 6.987 -3.336 1.00 . A A . 6 DIV CB2 1 1
17 3214 1 1 6 . CG1 C -1.356 6.582 -5.959 1.00 . A A . 6 DIV CG1 1 1
17 3215 1 1 6 . H H -0.953 5.562 -2.958 1.00 . A A . 6 DIV H 1 1
17 3216 1 1 6 . HB11 H -0.490 8.363 -5.213 1.00 . A A . 6 DIV HB11 1 1
17 3217 1 1 6 . HB12 H -2.227 8.426 -5.397 1.00 . A A . 6 DIV HB12 1 1
17 3218 1 1 6 . HB21 H -3.082 5.964 -3.671 1.00 . A A . 6 DIV HB21 1 1
17 3219 1 1 6 . HB22 H -3.693 7.605 -3.879 1.00 . A A . 6 DIV HB22 1 1
17 3220 1 1 6 . HB23 H -3.210 7.040 -2.280 1.00 . A A . 6 DIV HB23 1 1
17 3221 1 1 6 . HG11 H -1.978 5.806 -5.537 1.00 . A A . 6 DIV HG11 1 1
17 3222 1 1 6 . HG12 H -0.338 6.229 -6.029 1.00 . A A . 6 DIV HG12 1 1
17 3223 1 1 6 . HG13 H -1.718 6.837 -6.944 1.00 . A A . 6 DIV HG13 1 1
17 3224 1 1 6 . N N -0.621 6.450 -3.206 1.00 . A A . 6 DIV N 1 1
17 3225 1 1 6 . O O -1.523 9.858 -3.237 1.00 . A A . 6 DIV O 1 1
17 3226 1 1 7 GLY C C 0.346 10.679 -1.282 1.00 . A A . 7 GLY C 1 1
17 3227 1 1 7 GLY CA C -0.602 9.677 -0.653 1.00 . A A . 7 GLY CA 1 1
17 3228 1 1 7 GLY H H -0.733 7.636 -1.202 1.00 . A A . 7 GLY H 1 1
17 3229 1 1 7 GLY HA2 H -1.532 10.173 -0.421 1.00 . A A . 7 GLY HA2 1 1
17 3230 1 1 7 GLY HA3 H -0.163 9.310 0.263 1.00 . A A . 7 GLY HA3 1 1
17 3231 1 1 7 GLY N N -0.876 8.550 -1.526 1.00 . A A . 7 GLY N 1 1
17 3232 1 1 7 GLY O O 0.235 11.883 -1.044 1.00 . A A . 7 GLY O 1 1
17 3233 1 1 8 LEU C C 1.620 11.771 -3.932 1.00 . A A . 8 LEU C 1 1
17 3234 1 1 8 LEU CA C 2.253 11.045 -2.749 1.00 . A A . 8 LEU CA 1 1
17 3235 1 1 8 LEU CB C 3.452 10.222 -3.224 1.00 . A A . 8 LEU CB 1 1
17 3236 1 1 8 LEU CD1 C 4.357 8.989 -1.238 1.00 . A A . 8 LEU CD1 1 1
17 3237 1 1 8 LEU CD2 C 5.921 9.860 -2.984 1.00 . A A . 8 LEU CD2 1 1
17 3238 1 1 8 LEU CG C 4.617 10.103 -2.240 1.00 . A A . 8 LEU CG 1 1
17 3239 1 1 8 LEU H H 1.319 9.217 -2.236 1.00 . A A . 8 LEU H 1 1
17 3240 1 1 8 LEU HA H 2.591 11.778 -2.031 1.00 . A A . 8 LEU HA 1 1
17 3241 1 1 8 LEU HB2 H 3.103 9.225 -3.444 1.00 . A A . 8 LEU HB2 1 1
17 3242 1 1 8 LEU HB3 H 3.828 10.678 -4.129 1.00 . A A . 8 LEU HB3 1 1
17 3243 1 1 8 LEU HD11 H 5.060 9.067 -0.423 1.00 . A A . 8 LEU HD11 1 1
17 3244 1 1 8 LEU HD12 H 4.475 8.032 -1.725 1.00 . A A . 8 LEU HD12 1 1
17 3245 1 1 8 LEU HD13 H 3.350 9.076 -0.855 1.00 . A A . 8 LEU HD13 1 1
17 3246 1 1 8 LEU HD21 H 5.722 9.297 -3.884 1.00 . A A . 8 LEU HD21 1 1
17 3247 1 1 8 LEU HD22 H 6.597 9.301 -2.353 1.00 . A A . 8 LEU HD22 1 1
17 3248 1 1 8 LEU HD23 H 6.370 10.807 -3.243 1.00 . A A . 8 LEU HD23 1 1
17 3249 1 1 8 LEU HG H 4.712 11.030 -1.691 1.00 . A A . 8 LEU HG 1 1
17 3250 1 1 8 LEU N N 1.281 10.184 -2.085 1.00 . A A . 8 LEU N 1 1
17 3251 1 1 8 LEU O O 2.098 12.823 -4.355 1.00 . A A . 8 LEU O 1 1
17 3252 1 1 9 ABA C C -1.100 12.890 -5.091 1.00 . A A . 9 AIB C 1 1
17 3253 1 1 9 ABA CA C -0.160 11.797 -5.591 1.00 . A A . 9 AIB CA 1 1
17 3254 1 1 9 ABA H H 0.207 10.365 -4.077 1.00 . A A . 9 AIB H 1 1
17 3255 1 1 9 ABA N N 0.540 11.203 -4.459 1.00 . A A . 9 AIB N 1 1
17 3256 1 1 9 ABA O O -1.565 13.724 -5.866 1.00 . A A . 9 AIB O 1 1
17 3257 1 1 10 ABA C C -1.704 15.265 -3.439 1.00 . A A . 10 AIB C 1 1
17 3258 1 1 10 ABA CA C -2.258 13.867 -3.187 1.00 . A A . 10 AIB CA 1 1
17 3259 1 1 10 ABA H H -0.973 12.187 -3.224 1.00 . A A . 10 AIB H 1 1
17 3260 1 1 10 ABA N N -1.374 12.878 -3.791 1.00 . A A . 10 AIB N 1 1
17 3261 1 1 10 ABA O O -2.383 16.142 -3.973 1.00 . A A . 10 AIB O 1 1
17 3262 1 1 11 HYP C C 0.208 17.248 -4.669 1.00 . A A . 11 HYP C 1 1
17 3263 1 1 11 HYP CA C 0.235 16.770 -3.221 1.00 . A A . 11 HYP CA 1 1
17 3264 1 1 11 HYP CB C 1.672 16.481 -2.780 1.00 . A A . 11 HYP CB 1 1
17 3265 1 1 11 HYP CD C 0.430 14.480 -2.404 1.00 . A A . 11 HYP CD 1 1
17 3266 1 1 11 HYP CG C 1.565 15.284 -1.900 1.00 . A A . 11 HYP CG 1 1
17 3267 1 1 11 HYP HA H -0.193 17.531 -2.584 1.00 . A A . 11 HYP HA 1 1
17 3268 1 1 11 HYP HB2 H 2.285 16.281 -3.648 1.00 . A A . 11 HYP HB2 1 1
17 3269 1 1 11 HYP HB3 H 2.066 17.332 -2.243 1.00 . A A . 11 HYP HB3 1 1
17 3270 1 1 11 HYP HD1 H 1.191 15.199 0.036 1.00 . A A . 11 HYP HD1 1 1
17 3271 1 1 11 HYP HD22 H 0.636 13.660 -3.075 1.00 . A A . 11 HYP HD22 1 1
17 3272 1 1 11 HYP HD23 H -0.012 14.119 -1.488 1.00 . A A . 11 HYP HD23 1 1
17 3273 1 1 11 HYP HG H 2.258 14.529 -2.240 1.00 . A A . 11 HYP HG 1 1
17 3274 1 1 11 HYP N N -0.439 15.480 -3.047 1.00 . A A . 11 HYP N 1 1
17 3275 1 1 11 HYP O O 0.425 18.427 -4.946 1.00 . A A . 11 HYP O 1 1
17 3276 1 1 11 HYP OD1 O 1.836 15.623 -0.534 1.00 . A A . 11 HYP OD1 1 1
17 3277 1 1 12 GLN C C -1.517 17.100 -7.408 1.00 . A A . 12 GLN C 1 1
17 3278 1 1 12 GLN CA C -0.115 16.653 -7.006 1.00 . A A . 12 GLN CA 1 1
17 3279 1 1 12 GLN CB C 0.310 15.448 -7.847 1.00 . A A . 12 GLN CB 1 1
17 3280 1 1 12 GLN CD C 2.515 16.326 -8.715 1.00 . A A . 12 GLN CD 1 1
17 3281 1 1 12 GLN CG C 1.816 15.250 -7.908 1.00 . A A . 12 GLN CG 1 1
17 3282 1 1 12 GLN H H -0.224 15.402 -5.303 1.00 . A A . 12 GLN H 1 1
17 3283 1 1 12 GLN HA H 0.573 17.466 -7.185 1.00 . A A . 12 GLN HA 1 1
17 3284 1 1 12 GLN HB2 H -0.132 14.557 -7.427 1.00 . A A . 12 GLN HB2 1 1
17 3285 1 1 12 GLN HB3 H -0.054 15.581 -8.855 1.00 . A A . 12 GLN HB3 1 1
17 3286 1 1 12 GLN HE21 H 3.280 17.109 -7.055 1.00 . A A . 12 GLN HE21 1 1
17 3287 1 1 12 GLN HE22 H 3.700 17.911 -8.527 1.00 . A A . 12 GLN HE22 1 1
17 3288 1 1 12 GLN HG2 H 2.210 15.264 -6.903 1.00 . A A . 12 GLN HG2 1 1
17 3289 1 1 12 GLN HG3 H 2.022 14.291 -8.360 1.00 . A A . 12 GLN HG3 1 1
17 3290 1 1 12 GLN N N -0.060 16.325 -5.587 1.00 . A A . 12 GLN N 1 1
17 3291 1 1 12 GLN NE2 N 3.237 17.205 -8.030 1.00 . A A . 12 GLN NE2 1 1
17 3292 1 1 12 GLN O O -1.707 17.705 -8.462 1.00 . A A . 12 GLN O 1 1
17 3293 1 1 12 GLN OE1 O 2.406 16.368 -9.941 1.00 . A A . 12 GLN OE1 1 1
17 3294 1 1 13 . C C -3.993 18.684 -6.910 1.00 . A A . 13 DIV C 1 1
17 3295 1 1 13 . CA C -3.879 17.165 -6.828 1.00 . A A . 13 DIV CA 1 1
17 3296 1 1 13 . CB1 C -4.323 16.550 -8.151 1.00 . A A . 13 DIV CB1 1 1
17 3297 1 1 13 . CB2 C -4.769 16.648 -5.703 1.00 . A A . 13 DIV CB2 1 1
17 3298 1 1 13 . CG1 C -3.628 15.247 -8.481 1.00 . A A . 13 DIV CG1 1 1
17 3299 1 1 13 . H H -2.279 16.311 -5.737 1.00 . A A . 13 DIV H 1 1
17 3300 1 1 13 . HB11 H -4.129 17.247 -8.952 1.00 . A A . 13 DIV HB11 1 1
17 3301 1 1 13 . HB12 H -5.387 16.365 -8.119 1.00 . A A . 13 DIV HB12 1 1
17 3302 1 1 13 . HB21 H -5.003 17.459 -5.028 1.00 . A A . 13 DIV HB21 1 1
17 3303 1 1 13 . HB22 H -4.252 15.868 -5.164 1.00 . A A . 13 DIV HB22 1 1
17 3304 1 1 13 . HB23 H -5.684 16.253 -6.120 1.00 . A A . 13 DIV HB23 1 1
17 3305 1 1 13 . HG11 H -4.221 14.692 -9.193 1.00 . A A . 13 DIV HG11 1 1
17 3306 1 1 13 . HG12 H -3.510 14.664 -7.579 1.00 . A A . 13 DIV HG12 1 1
17 3307 1 1 13 . HG13 H -2.657 15.454 -8.905 1.00 . A A . 13 DIV HG13 1 1
17 3308 1 1 13 . N N -2.494 16.796 -6.561 1.00 . A A . 13 DIV N 1 1
17 3309 1 1 13 . O O -4.541 19.239 -7.863 1.00 . A A . 13 DIV O 1 1
17 3310 1 1 14 HYP C C -2.368 21.477 -6.627 1.00 . A A . 14 HYP C 1 1
17 3311 1 1 14 HYP CA C -3.494 20.837 -5.823 1.00 . A A . 14 HYP CA 1 1
17 3312 1 1 14 HYP CB C -3.317 21.129 -4.330 1.00 . A A . 14 HYP CB 1 1
17 3313 1 1 14 HYP CD C -2.796 18.777 -4.720 1.00 . A A . 14 HYP CD 1 1
17 3314 1 1 14 HYP CG C -2.632 19.922 -3.787 1.00 . A A . 14 HYP CG 1 1
17 3315 1 1 14 HYP HA H -4.443 21.231 -6.158 1.00 . A A . 14 HYP HA 1 1
17 3316 1 1 14 HYP HB2 H -2.715 22.017 -4.203 1.00 . A A . 14 HYP HB2 1 1
17 3317 1 1 14 HYP HB3 H -4.284 21.274 -3.871 1.00 . A A . 14 HYP HB3 1 1
17 3318 1 1 14 HYP HD1 H -4.080 19.657 -2.473 1.00 . A A . 14 HYP HD1 1 1
17 3319 1 1 14 HYP HD22 H -1.850 18.338 -4.999 1.00 . A A . 14 HYP HD22 1 1
17 3320 1 1 14 HYP HD23 H -3.431 18.041 -4.248 1.00 . A A . 14 HYP HD23 1 1
17 3321 1 1 14 HYP HG H -1.568 20.103 -3.752 1.00 . A A . 14 HYP HG 1 1
17 3322 1 1 14 HYP N N -3.465 19.373 -5.889 1.00 . A A . 14 HYP N 1 1
17 3323 1 1 14 HYP O O -2.293 22.700 -6.745 1.00 . A A . 14 HYP O 1 1
17 3324 1 1 14 HYP OD1 O -3.122 19.596 -2.481 1.00 . A A . 14 HYP OD1 1 1
17 3325 1 1 15 ABA C C -0.891 22.008 -9.104 1.00 . A A . 15 AIB C 1 1
17 3326 1 1 15 ABA CA C -0.371 21.127 -7.974 1.00 . A A . 15 AIB CA 1 1
17 3327 1 1 15 ABA H H -1.606 19.678 -7.050 1.00 . A A . 15 AIB H 1 1
17 3328 1 1 15 ABA N N -1.493 20.642 -7.180 1.00 . A A . 15 AIB N 1 1
17 3329 1 1 15 ABA O O -0.512 23.171 -9.243 1.00 . A A . 15 AIB O 1 1
17 3330 1 1 16 PRO C C -3.417 23.181 -10.626 1.00 . A A . 16 PRO C 1 1
17 3331 1 1 16 PRO CA C -2.373 22.160 -11.067 1.00 . A A . 16 PRO CA 1 1
17 3332 1 1 16 PRO CB C -3.028 21.047 -11.888 1.00 . A A . 16 PRO CB 1 1
17 3333 1 1 16 PRO CD C -2.279 20.061 -9.829 1.00 . A A . 16 PRO CD 1 1
17 3334 1 1 16 PRO CG C -3.315 19.967 -10.902 1.00 . A A . 16 PRO CG 1 1
17 3335 1 1 16 PRO HA H -1.619 22.653 -11.663 1.00 . A A . 16 PRO HA 1 1
17 3336 1 1 16 PRO HB2 H -3.935 21.418 -12.344 1.00 . A A . 16 PRO HB2 1 1
17 3337 1 1 16 PRO HB3 H -2.345 20.710 -12.654 1.00 . A A . 16 PRO HB3 1 1
17 3338 1 1 16 PRO HD2 H -2.738 19.888 -8.867 1.00 . A A . 16 PRO HD2 1 1
17 3339 1 1 16 PRO HD3 H -1.483 19.352 -10.002 1.00 . A A . 16 PRO HD3 1 1
17 3340 1 1 16 PRO HG2 H -4.296 20.111 -10.475 1.00 . A A . 16 PRO HG2 1 1
17 3341 1 1 16 PRO HG3 H -3.252 19.003 -11.385 1.00 . A A . 16 PRO HG3 1 1
17 3342 1 1 16 PRO N N -1.781 21.443 -9.934 1.00 . A A . 16 PRO N 1 1
17 3343 1 1 16 PRO O O -3.880 23.995 -11.425 1.00 . A A . 16 PRO O 1 1
17 3344 1 1 17 PHL C C -4.136 24.995 -7.786 1.00 . A A . 17 PHL C 1 1
17 3345 1 1 17 PHL CA C -4.773 24.052 -8.802 1.00 . A A . 17 PHL CA 1 1
17 3346 1 1 17 PHL CB C -5.916 23.275 -8.146 1.00 . A A . 17 PHL CB 1 1
17 3347 1 1 17 PHL CD1 C -6.907 21.858 -9.965 1.00 . A A . 17 PHL CD1 1 1
17 3348 1 1 17 PHL CD2 C -8.195 23.677 -9.117 1.00 . A A . 17 PHL CD2 1 1
17 3349 1 1 17 PHL CE1 C -7.929 21.537 -10.839 1.00 . A A . 17 PHL CE1 1 1
17 3350 1 1 17 PHL CE2 C -9.220 23.360 -9.988 1.00 . A A . 17 PHL CE2 1 1
17 3351 1 1 17 PHL CG C -7.028 22.929 -9.095 1.00 . A A . 17 PHL CG 1 1
17 3352 1 1 17 PHL CZ C -9.086 22.290 -10.851 1.00 . A A . 17 PHL CZ 1 1
17 3353 1 1 17 PHL H H -3.379 22.460 -8.762 1.00 . A A . 17 PHL H 1 1
17 3354 1 1 17 PHL HA H -5.169 24.636 -9.619 1.00 . A A . 17 PHL HA 1 1
17 3355 1 1 17 PHL HB2 H -5.528 22.352 -7.741 1.00 . A A . 17 PHL HB2 1 1
17 3356 1 1 17 PHL HB3 H -6.332 23.868 -7.346 1.00 . A A . 17 PHL HB3 1 1
17 3357 1 1 17 PHL HC1 H -4.252 24.583 -6.795 1.00 . A A . 17 PHL HC1 1 1
17 3358 1 1 17 PHL HC2 H -3.086 25.106 -8.013 1.00 . A A . 17 PHL HC2 1 1
17 3359 1 1 17 PHL HD1 H -6.001 21.268 -9.956 1.00 . A A . 17 PHL HD1 1 1
17 3360 1 1 17 PHL HD2 H -8.301 24.514 -8.443 1.00 . A A . 17 PHL HD2 1 1
17 3361 1 1 17 PHL HE1 H -7.821 20.700 -11.512 1.00 . A A . 17 PHL HE1 1 1
17 3362 1 1 17 PHL HE2 H -10.124 23.951 -9.996 1.00 . A A . 17 PHL HE2 1 1
17 3363 1 1 17 PHL HO H -4.082 26.967 -7.741 1.00 . A A . 17 PHL HO 1 1
17 3364 1 1 17 PHL HZ H -9.886 22.041 -11.532 1.00 . A A . 17 PHL HZ 1 1
17 3365 1 1 17 PHL N N -3.783 23.132 -9.350 1.00 . A A . 17 PHL N 1 1
17 3366 1 1 17 PHL O O -4.755 26.287 -7.824 1.00 . A A . 17 PHL O 1 1
18 3367 1 1 1 ACE C C 1.630 0.929 -2.236 1.00 . A A . 1 ACE C 1 1
18 3368 1 1 1 ACE CH3 C 2.224 -0.020 -1.214 1.00 . A A . 1 ACE CH3 1 1
18 3369 1 1 1 ACE H1 H 1.712 0.098 -0.271 1.00 . A A . 1 ACE H1 1 1
18 3370 1 1 1 ACE H2 H 3.273 0.201 -1.084 1.00 . A A . 1 ACE H2 1 1
18 3371 1 1 1 ACE H3 H 2.111 -1.038 -1.560 1.00 . A A . 1 ACE H3 1 1
18 3372 1 1 1 ACE O O 1.873 2.136 -2.188 1.00 . A A . 1 ACE O 1 1
18 3373 1 1 2 PHE C C -0.770 2.180 -3.600 1.00 . A A . 2 PHE C 1 1
18 3374 1 1 2 PHE CA C 0.222 1.191 -4.204 1.00 . A A . 2 PHE CA 1 1
18 3375 1 1 2 PHE CB C -0.489 0.292 -5.217 1.00 . A A . 2 PHE CB 1 1
18 3376 1 1 2 PHE CD1 C -1.842 1.912 -6.573 1.00 . A A . 2 PHE CD1 1 1
18 3377 1 1 2 PHE CD2 C -0.095 0.707 -7.660 1.00 . A A . 2 PHE CD2 1 1
18 3378 1 1 2 PHE CE1 C -2.144 2.552 -7.761 1.00 . A A . 2 PHE CE1 1 1
18 3379 1 1 2 PHE CE2 C -0.392 1.344 -8.850 1.00 . A A . 2 PHE CE2 1 1
18 3380 1 1 2 PHE CG C -0.815 0.985 -6.509 1.00 . A A . 2 PHE CG 1 1
18 3381 1 1 2 PHE CZ C -1.419 2.267 -8.901 1.00 . A A . 2 PHE CZ 1 1
18 3382 1 1 2 PHE H H 0.695 -0.583 -3.150 1.00 . A A . 2 PHE H 1 1
18 3383 1 1 2 PHE HA H 1.000 1.743 -4.709 1.00 . A A . 2 PHE HA 1 1
18 3384 1 1 2 PHE HB2 H 0.144 -0.553 -5.444 1.00 . A A . 2 PHE HB2 1 1
18 3385 1 1 2 PHE HB3 H -1.414 -0.062 -4.786 1.00 . A A . 2 PHE HB3 1 1
18 3386 1 1 2 PHE HD1 H -2.411 2.136 -5.681 1.00 . A A . 2 PHE HD1 1 1
18 3387 1 1 2 PHE HD2 H 0.708 -0.014 -7.622 1.00 . A A . 2 PHE HD2 1 1
18 3388 1 1 2 PHE HE1 H -2.948 3.273 -7.797 1.00 . A A . 2 PHE HE1 1 1
18 3389 1 1 2 PHE HE2 H 0.176 1.119 -9.740 1.00 . A A . 2 PHE HE2 1 1
18 3390 1 1 2 PHE HZ H -1.653 2.766 -9.829 1.00 . A A . 2 PHE HZ 1 1
18 3391 1 1 2 PHE N N 0.851 0.385 -3.164 1.00 . A A . 2 PHE N 1 1
18 3392 1 1 2 PHE O O -0.676 3.387 -3.825 1.00 . A A . 2 PHE O 1 1
18 3393 1 1 3 ABA C C -2.049 3.605 -1.403 1.00 . A A . 3 AIB C 1 1
18 3394 1 1 3 ABA CA C -2.732 2.496 -2.196 1.00 . A A . 3 AIB CA 1 1
18 3395 1 1 3 ABA H H -1.744 0.691 -2.690 1.00 . A A . 3 AIB H 1 1
18 3396 1 1 3 ABA N N -1.722 1.660 -2.832 1.00 . A A . 3 AIB N 1 1
18 3397 1 1 3 ABA O O -2.399 4.778 -1.529 1.00 . A A . 3 AIB O 1 1
18 3398 1 1 4 ABA C C 0.383 5.177 -0.682 1.00 . A A . 4 AIB C 1 1
18 3399 1 1 4 ABA CA C -0.339 4.189 0.228 1.00 . A A . 4 AIB CA 1 1
18 3400 1 1 4 ABA H H -0.838 2.276 -0.529 1.00 . A A . 4 AIB H 1 1
18 3401 1 1 4 ABA N N -1.072 3.226 -0.586 1.00 . A A . 4 AIB N 1 1
18 3402 1 1 4 ABA O O 0.473 6.366 -0.376 1.00 . A A . 4 AIB O 1 1
18 3403 1 1 5 ABA C C 0.722 6.681 -3.174 1.00 . A A . 5 AIB C 1 1
18 3404 1 1 5 ABA CA C 1.612 5.516 -2.755 1.00 . A A . 5 AIB CA 1 1
18 3405 1 1 5 ABA H H 0.793 3.721 -1.989 1.00 . A A . 5 AIB H 1 1
18 3406 1 1 5 ABA N N 0.897 4.677 -1.801 1.00 . A A . 5 AIB N 1 1
18 3407 1 1 5 ABA O O 1.208 7.773 -3.466 1.00 . A A . 5 AIB O 1 1
18 3408 1 1 6 . C C -1.300 8.725 -2.754 1.00 . A A . 6 DIV C 1 1
18 3409 1 1 6 . CA C -1.543 7.470 -3.585 1.00 . A A . 6 DIV CA 1 1
18 3410 1 1 6 . CB1 C -1.372 7.798 -5.064 1.00 . A A . 6 DIV CB1 1 1
18 3411 1 1 6 . CB2 C -2.960 6.963 -3.338 1.00 . A A . 6 DIV CB2 1 1
18 3412 1 1 6 . CG1 C -1.312 6.577 -5.956 1.00 . A A . 6 DIV CG1 1 1
18 3413 1 1 6 . H H -0.912 5.550 -2.958 1.00 . A A . 6 DIV H 1 1
18 3414 1 1 6 . HB11 H -0.460 8.361 -5.202 1.00 . A A . 6 DIV HB11 1 1
18 3415 1 1 6 . HB12 H -2.197 8.414 -5.391 1.00 . A A . 6 DIV HB12 1 1
18 3416 1 1 6 . HB21 H -3.064 5.969 -3.748 1.00 . A A . 6 DIV HB21 1 1
18 3417 1 1 6 . HB22 H -3.668 7.625 -3.815 1.00 . A A . 6 DIV HB22 1 1
18 3418 1 1 6 . HB23 H -3.153 6.936 -2.275 1.00 . A A . 6 DIV HB23 1 1
18 3419 1 1 6 . HG11 H -1.252 6.888 -6.989 1.00 . A A . 6 DIV HG11 1 1
18 3420 1 1 6 . HG12 H -2.202 5.982 -5.811 1.00 . A A . 6 DIV HG12 1 1
18 3421 1 1 6 . HG13 H -0.441 5.991 -5.706 1.00 . A A . 6 DIV HG13 1 1
18 3422 1 1 6 . N N -0.585 6.440 -3.201 1.00 . A A . 6 DIV N 1 1
18 3423 1 1 6 . O O -1.508 9.843 -3.225 1.00 . A A . 6 DIV O 1 1
18 3424 1 1 7 GLY C C 0.348 10.670 -1.260 1.00 . A A . 7 GLY C 1 1
18 3425 1 1 7 GLY CA C -0.595 9.659 -0.638 1.00 . A A . 7 GLY CA 1 1
18 3426 1 1 7 GLY H H -0.711 7.619 -1.194 1.00 . A A . 7 GLY H 1 1
18 3427 1 1 7 GLY HA2 H -1.529 10.148 -0.407 1.00 . A A . 7 GLY HA2 1 1
18 3428 1 1 7 GLY HA3 H -0.156 9.292 0.278 1.00 . A A . 7 GLY HA3 1 1
18 3429 1 1 7 GLY N N -0.858 8.533 -1.515 1.00 . A A . 7 GLY N 1 1
18 3430 1 1 7 GLY O O 0.229 11.872 -1.019 1.00 . A A . 7 GLY O 1 1
18 3431 1 1 8 LEU C C 1.624 11.779 -3.902 1.00 . A A . 8 LEU C 1 1
18 3432 1 1 8 LEU CA C 2.258 11.053 -2.720 1.00 . A A . 8 LEU CA 1 1
18 3433 1 1 8 LEU CB C 3.464 10.239 -3.194 1.00 . A A . 8 LEU CB 1 1
18 3434 1 1 8 LEU CD1 C 4.370 9.006 -1.209 1.00 . A A . 8 LEU CD1 1 1
18 3435 1 1 8 LEU CD2 C 5.934 9.892 -2.948 1.00 . A A . 8 LEU CD2 1 1
18 3436 1 1 8 LEU CG C 4.626 10.124 -2.207 1.00 . A A . 8 LEU CG 1 1
18 3437 1 1 8 LEU H H 1.334 9.217 -2.216 1.00 . A A . 8 LEU H 1 1
18 3438 1 1 8 LEU HA H 2.589 11.785 -1.999 1.00 . A A . 8 LEU HA 1 1
18 3439 1 1 8 LEU HB2 H 3.121 9.241 -3.418 1.00 . A A . 8 LEU HB2 1 1
18 3440 1 1 8 LEU HB3 H 3.839 10.701 -4.096 1.00 . A A . 8 LEU HB3 1 1
18 3441 1 1 8 LEU HD11 H 3.363 9.086 -0.829 1.00 . A A . 8 LEU HD11 1 1
18 3442 1 1 8 LEU HD12 H 5.071 9.085 -0.391 1.00 . A A . 8 LEU HD12 1 1
18 3443 1 1 8 LEU HD13 H 4.496 8.051 -1.698 1.00 . A A . 8 LEU HD13 1 1
18 3444 1 1 8 LEU HD21 H 6.369 10.843 -3.216 1.00 . A A . 8 LEU HD21 1 1
18 3445 1 1 8 LEU HD22 H 5.744 9.318 -3.843 1.00 . A A . 8 LEU HD22 1 1
18 3446 1 1 8 LEU HD23 H 6.617 9.350 -2.310 1.00 . A A . 8 LEU HD23 1 1
18 3447 1 1 8 LEU HG H 4.713 11.050 -1.654 1.00 . A A . 8 LEU HG 1 1
18 3448 1 1 8 LEU N N 1.289 10.183 -2.062 1.00 . A A . 8 LEU N 1 1
18 3449 1 1 8 LEU O O 2.097 12.835 -4.321 1.00 . A A . 8 LEU O 1 1
18 3450 1 1 9 ABA C C -1.099 12.883 -5.067 1.00 . A A . 9 AIB C 1 1
18 3451 1 1 9 ABA CA C -0.151 11.799 -5.567 1.00 . A A . 9 AIB CA 1 1
18 3452 1 1 9 ABA H H 0.221 10.363 -4.057 1.00 . A A . 9 AIB H 1 1
18 3453 1 1 9 ABA N N 0.550 11.205 -4.435 1.00 . A A . 9 AIB N 1 1
18 3454 1 1 9 ABA O O -1.568 13.717 -5.841 1.00 . A A . 9 AIB O 1 1
18 3455 1 1 10 ABA C C -1.725 15.249 -3.409 1.00 . A A . 10 AIB C 1 1
18 3456 1 1 10 ABA CA C -2.271 13.846 -3.164 1.00 . A A . 10 AIB CA 1 1
18 3457 1 1 10 ABA H H -0.974 12.174 -3.202 1.00 . A A . 10 AIB H 1 1
18 3458 1 1 10 ABA N N -1.378 12.865 -3.768 1.00 . A A . 10 AIB N 1 1
18 3459 1 1 10 ABA O O -2.408 16.123 -3.942 1.00 . A A . 10 AIB O 1 1
18 3460 1 1 11 HYP C C 0.178 17.248 -4.625 1.00 . A A . 11 HYP C 1 1
18 3461 1 1 11 HYP CA C 0.204 16.766 -3.179 1.00 . A A . 11 HYP CA 1 1
18 3462 1 1 11 HYP CB C 1.641 16.485 -2.734 1.00 . A A . 11 HYP CB 1 1
18 3463 1 1 11 HYP CD C 0.411 14.474 -2.370 1.00 . A A . 11 HYP CD 1 1
18 3464 1 1 11 HYP CG C 1.539 15.284 -1.859 1.00 . A A . 11 HYP CG 1 1
18 3465 1 1 11 HYP HA H -0.231 17.521 -2.541 1.00 . A A . 11 HYP HA 1 1
18 3466 1 1 11 HYP HB2 H 2.258 16.292 -3.601 1.00 . A A . 11 HYP HB2 1 1
18 3467 1 1 11 HYP HB3 H 2.027 17.336 -2.193 1.00 . A A . 11 HYP HB3 1 1
18 3468 1 1 11 HYP HD1 H 1.058 15.464 0.047 1.00 . A A . 11 HYP HD1 1 1
18 3469 1 1 11 HYP HD22 H 0.624 13.657 -3.043 1.00 . A A . 11 HYP HD22 1 1
18 3470 1 1 11 HYP HD23 H -0.032 14.107 -1.456 1.00 . A A . 11 HYP HD23 1 1
18 3471 1 1 11 HYP HG H 2.219 14.525 -2.215 1.00 . A A . 11 HYP HG 1 1
18 3472 1 1 11 HYP N N -0.463 15.471 -3.012 1.00 . A A . 11 HYP N 1 1
18 3473 1 1 11 HYP O O 0.388 18.430 -4.898 1.00 . A A . 11 HYP O 1 1
18 3474 1 1 11 HYP OD1 O 1.836 15.613 -0.496 1.00 . A A . 11 HYP OD1 1 1
18 3475 1 1 12 GLN C C -1.536 17.098 -7.371 1.00 . A A . 12 GLN C 1 1
18 3476 1 1 12 GLN CA C -0.133 16.660 -6.966 1.00 . A A . 12 GLN CA 1 1
18 3477 1 1 12 GLN CB C 0.303 15.460 -7.810 1.00 . A A . 12 GLN CB 1 1
18 3478 1 1 12 GLN CD C 2.475 16.186 -8.877 1.00 . A A . 12 GLN CD 1 1
18 3479 1 1 12 GLN CG C 1.810 15.272 -7.866 1.00 . A A . 12 GLN CG 1 1
18 3480 1 1 12 GLN H H -0.239 15.402 -5.267 1.00 . A A . 12 GLN H 1 1
18 3481 1 1 12 GLN HA H 0.550 17.477 -7.140 1.00 . A A . 12 GLN HA 1 1
18 3482 1 1 12 GLN HB2 H -0.135 14.565 -7.394 1.00 . A A . 12 GLN HB2 1 1
18 3483 1 1 12 GLN HB3 H -0.059 15.594 -8.818 1.00 . A A . 12 GLN HB3 1 1
18 3484 1 1 12 GLN HE21 H 2.522 17.663 -7.547 1.00 . A A . 12 GLN HE21 1 1
18 3485 1 1 12 GLN HE22 H 3.186 18.029 -9.099 1.00 . A A . 12 GLN HE22 1 1
18 3486 1 1 12 GLN HG2 H 2.223 15.480 -6.890 1.00 . A A . 12 GLN HG2 1 1
18 3487 1 1 12 GLN HG3 H 2.022 14.248 -8.135 1.00 . A A . 12 GLN HG3 1 1
18 3488 1 1 12 GLN N N -0.080 16.327 -5.547 1.00 . A A . 12 GLN N 1 1
18 3489 1 1 12 GLN NE2 N 2.756 17.417 -8.467 1.00 . A A . 12 GLN NE2 1 1
18 3490 1 1 12 GLN O O -1.728 17.707 -8.423 1.00 . A A . 12 GLN O 1 1
18 3491 1 1 12 GLN OE1 O 2.733 15.790 -10.014 1.00 . A A . 12 GLN OE1 1 1
18 3492 1 1 13 . C C -4.025 18.664 -6.876 1.00 . A A . 13 DIV C 1 1
18 3493 1 1 13 . CA C -3.901 17.146 -6.799 1.00 . A A . 13 DIV CA 1 1
18 3494 1 1 13 . CB1 C -4.337 16.532 -8.125 1.00 . A A . 13 DIV CB1 1 1
18 3495 1 1 13 . CB2 C -4.792 16.620 -5.678 1.00 . A A . 13 DIV CB2 1 1
18 3496 1 1 13 . CG1 C -3.632 15.235 -8.457 1.00 . A A . 13 DIV CG1 1 1
18 3497 1 1 13 . H H -2.300 16.299 -5.705 1.00 . A A . 13 DIV H 1 1
18 3498 1 1 13 . HB11 H -4.145 17.234 -8.923 1.00 . A A . 13 DIV HB11 1 1
18 3499 1 1 13 . HB12 H -5.399 16.341 -8.098 1.00 . A A . 13 DIV HB12 1 1
18 3500 1 1 13 . HB21 H -4.271 15.841 -5.140 1.00 . A A . 13 DIV HB21 1 1
18 3501 1 1 13 . HB22 H -5.702 16.219 -6.100 1.00 . A A . 13 DIV HB22 1 1
18 3502 1 1 13 . HB23 H -5.033 17.426 -5.001 1.00 . A A . 13 DIV HB23 1 1
18 3503 1 1 13 . HG11 H -4.219 14.679 -9.173 1.00 . A A . 13 DIV HG11 1 1
18 3504 1 1 13 . HG12 H -3.513 14.650 -7.557 1.00 . A A . 13 DIV HG12 1 1
18 3505 1 1 13 . HG13 H -2.661 15.451 -8.877 1.00 . A A . 13 DIV HG13 1 1
18 3506 1 1 13 . N N -2.515 16.785 -6.528 1.00 . A A . 13 DIV N 1 1
18 3507 1 1 13 . O O -4.573 19.219 -7.829 1.00 . A A . 13 DIV O 1 1
18 3508 1 1 14 HYP C C -2.419 21.467 -6.578 1.00 . A A . 14 HYP C 1 1
18 3509 1 1 14 HYP CA C -3.544 20.817 -5.779 1.00 . A A . 14 HYP CA 1 1
18 3510 1 1 14 HYP CB C -3.374 21.104 -4.285 1.00 . A A . 14 HYP CB 1 1
18 3511 1 1 14 HYP CD C -2.836 18.758 -4.681 1.00 . A A . 14 HYP CD 1 1
18 3512 1 1 14 HYP CG C -2.682 19.901 -3.745 1.00 . A A . 14 HYP CG 1 1
18 3513 1 1 14 HYP HA H -4.494 21.205 -6.116 1.00 . A A . 14 HYP HA 1 1
18 3514 1 1 14 HYP HB2 H -2.777 21.996 -4.153 1.00 . A A . 14 HYP HB2 1 1
18 3515 1 1 14 HYP HB3 H -4.342 21.241 -3.829 1.00 . A A . 14 HYP HB3 1 1
18 3516 1 1 14 HYP HD1 H -3.013 20.600 -1.929 1.00 . A A . 14 HYP HD1 1 1
18 3517 1 1 14 HYP HD22 H -1.886 18.326 -4.959 1.00 . A A . 14 HYP HD22 1 1
18 3518 1 1 14 HYP HD23 H -3.467 18.016 -4.214 1.00 . A A . 14 HYP HD23 1 1
18 3519 1 1 14 HYP HG H -1.619 19.996 -3.911 1.00 . A A . 14 HYP HG 1 1
18 3520 1 1 14 HYP N N -3.504 19.354 -5.850 1.00 . A A . 14 HYP N 1 1
18 3521 1 1 14 HYP O O -2.352 22.690 -6.692 1.00 . A A . 14 HYP O 1 1
18 3522 1 1 14 HYP OD1 O -2.950 19.738 -2.346 1.00 . A A . 14 HYP OD1 1 1
18 3523 1 1 15 ABA C C -0.937 22.017 -9.048 1.00 . A A . 15 AIB C 1 1
18 3524 1 1 15 ABA CA C -0.415 21.135 -7.919 1.00 . A A . 15 AIB CA 1 1
18 3525 1 1 15 ABA H H -1.644 19.674 -7.004 1.00 . A A . 15 AIB H 1 1
18 3526 1 1 15 ABA N N -1.537 20.640 -7.130 1.00 . A A . 15 AIB N 1 1
18 3527 1 1 15 ABA O O -0.565 23.183 -9.181 1.00 . A A . 15 AIB O 1 1
18 3528 1 1 16 PRO C C -3.466 23.178 -10.574 1.00 . A A . 16 PRO C 1 1
18 3529 1 1 16 PRO CA C -2.414 22.166 -11.015 1.00 . A A . 16 PRO CA 1 1
18 3530 1 1 16 PRO CB C -3.059 21.051 -11.842 1.00 . A A . 16 PRO CB 1 1
18 3531 1 1 16 PRO CD C -2.310 20.063 -9.784 1.00 . A A . 16 PRO CD 1 1
18 3532 1 1 16 PRO CG C -3.342 19.967 -10.861 1.00 . A A . 16 PRO CG 1 1
18 3533 1 1 16 PRO HA H -1.661 22.666 -11.606 1.00 . A A . 16 PRO HA 1 1
18 3534 1 1 16 PRO HB2 H -3.967 21.418 -12.300 1.00 . A A . 16 PRO HB2 1 1
18 3535 1 1 16 PRO HB3 H -2.371 20.722 -12.607 1.00 . A A . 16 PRO HB3 1 1
18 3536 1 1 16 PRO HD2 H -2.771 19.884 -8.824 1.00 . A A . 16 PRO HD2 1 1
18 3537 1 1 16 PRO HD3 H -1.509 19.360 -9.957 1.00 . A A . 16 PRO HD3 1 1
18 3538 1 1 16 PRO HG2 H -4.325 20.102 -10.437 1.00 . A A . 16 PRO HG2 1 1
18 3539 1 1 16 PRO HG3 H -3.270 19.005 -11.347 1.00 . A A . 16 PRO HG3 1 1
18 3540 1 1 16 PRO N N -1.821 21.449 -9.882 1.00 . A A . 16 PRO N 1 1
18 3541 1 1 16 PRO O O -3.931 23.993 -11.371 1.00 . A A . 16 PRO O 1 1
18 3542 1 1 17 PHL C C -4.245 24.869 -7.619 1.00 . A A . 17 PHL C 1 1
18 3543 1 1 17 PHL CA C -4.835 24.033 -8.752 1.00 . A A . 17 PHL CA 1 1
18 3544 1 1 17 PHL CB C -6.048 23.251 -8.245 1.00 . A A . 17 PHL CB 1 1
18 3545 1 1 17 PHL CD1 C -8.231 23.843 -9.331 1.00 . A A . 17 PHL CD1 1 1
18 3546 1 1 17 PHL CD2 C -6.970 22.034 -10.237 1.00 . A A . 17 PHL CD2 1 1
18 3547 1 1 17 PHL CE1 C -9.205 23.651 -10.293 1.00 . A A . 17 PHL CE1 1 1
18 3548 1 1 17 PHL CE2 C -7.940 21.837 -11.201 1.00 . A A . 17 PHL CE2 1 1
18 3549 1 1 17 PHL CG C -7.104 23.039 -9.292 1.00 . A A . 17 PHL CG 1 1
18 3550 1 1 17 PHL CZ C -9.059 22.646 -11.229 1.00 . A A . 17 PHL CZ 1 1
18 3551 1 1 17 PHL H H -3.430 22.449 -8.712 1.00 . A A . 17 PHL H 1 1
18 3552 1 1 17 PHL HA H -5.149 24.694 -9.545 1.00 . A A . 17 PHL HA 1 1
18 3553 1 1 17 PHL HB2 H -5.724 22.280 -7.901 1.00 . A A . 17 PHL HB2 1 1
18 3554 1 1 17 PHL HB3 H -6.497 23.789 -7.424 1.00 . A A . 17 PHL HB3 1 1
18 3555 1 1 17 PHL HC1 H -4.841 25.760 -7.486 1.00 . A A . 17 PHL HC1 1 1
18 3556 1 1 17 PHL HC2 H -4.251 24.288 -6.708 1.00 . A A . 17 PHL HC2 1 1
18 3557 1 1 17 PHL HD1 H -8.347 24.630 -8.599 1.00 . A A . 17 PHL HD1 1 1
18 3558 1 1 17 PHL HD2 H -6.096 21.400 -10.216 1.00 . A A . 17 PHL HD2 1 1
18 3559 1 1 17 PHL HE1 H -10.079 24.285 -10.311 1.00 . A A . 17 PHL HE1 1 1
18 3560 1 1 17 PHL HE2 H -7.824 21.050 -11.932 1.00 . A A . 17 PHL HE2 1 1
18 3561 1 1 17 PHL HO H -2.801 25.394 -8.857 1.00 . A A . 17 PHL HO 1 1
18 3562 1 1 17 PHL HZ H -9.818 22.494 -11.982 1.00 . A A . 17 PHL HZ 1 1
18 3563 1 1 17 PHL N N -3.837 23.121 -9.299 1.00 . A A . 17 PHL N 1 1
18 3564 1 1 17 PHL O O -2.897 25.254 -7.912 1.00 . A A . 17 PHL O 1 1
19 3565 1 1 1 ACE C C 1.571 0.959 -2.268 1.00 . A A . 1 ACE C 1 1
19 3566 1 1 1 ACE CH3 C 2.166 0.009 -1.248 1.00 . A A . 1 ACE CH3 1 1
19 3567 1 1 1 ACE H1 H 2.818 0.555 -0.583 1.00 . A A . 1 ACE H1 1 1
19 3568 1 1 1 ACE H2 H 2.731 -0.758 -1.756 1.00 . A A . 1 ACE H2 1 1
19 3569 1 1 1 ACE H3 H 1.371 -0.449 -0.676 1.00 . A A . 1 ACE H3 1 1
19 3570 1 1 1 ACE O O 1.819 2.165 -2.223 1.00 . A A . 1 ACE O 1 1
19 3571 1 1 2 PHE C C -0.831 2.218 -3.622 1.00 . A A . 2 PHE C 1 1
19 3572 1 1 2 PHE CA C 0.155 1.224 -4.230 1.00 . A A . 2 PHE CA 1 1
19 3573 1 1 2 PHE CB C -0.565 0.326 -5.238 1.00 . A A . 2 PHE CB 1 1
19 3574 1 1 2 PHE CD1 C 0.082 1.220 -7.492 1.00 . A A . 2 PHE CD1 1 1
19 3575 1 1 2 PHE CD2 C -2.180 1.468 -6.782 1.00 . A A . 2 PHE CD2 1 1
19 3576 1 1 2 PHE CE1 C -0.218 1.857 -8.680 1.00 . A A . 2 PHE CE1 1 1
19 3577 1 1 2 PHE CE2 C -2.487 2.106 -7.969 1.00 . A A . 2 PHE CE2 1 1
19 3578 1 1 2 PHE CG C -0.894 1.019 -6.529 1.00 . A A . 2 PHE CG 1 1
19 3579 1 1 2 PHE CZ C -1.504 2.300 -8.920 1.00 . A A . 2 PHE CZ 1 1
19 3580 1 1 2 PHE H H 0.625 -0.550 -3.175 1.00 . A A . 2 PHE H 1 1
19 3581 1 1 2 PHE HA H 0.932 1.772 -4.740 1.00 . A A . 2 PHE HA 1 1
19 3582 1 1 2 PHE HB2 H 0.063 -0.521 -5.467 1.00 . A A . 2 PHE HB2 1 1
19 3583 1 1 2 PHE HB3 H -1.489 -0.023 -4.802 1.00 . A A . 2 PHE HB3 1 1
19 3584 1 1 2 PHE HD1 H 1.089 0.873 -7.306 1.00 . A A . 2 PHE HD1 1 1
19 3585 1 1 2 PHE HD2 H -2.950 1.316 -6.038 1.00 . A A . 2 PHE HD2 1 1
19 3586 1 1 2 PHE HE1 H 0.552 2.007 -9.423 1.00 . A A . 2 PHE HE1 1 1
19 3587 1 1 2 PHE HE2 H -3.494 2.450 -8.153 1.00 . A A . 2 PHE HE2 1 1
19 3588 1 1 2 PHE HZ H -1.741 2.798 -9.848 1.00 . A A . 2 PHE HZ 1 1
19 3589 1 1 2 PHE N N 0.785 0.417 -3.192 1.00 . A A . 2 PHE N 1 1
19 3590 1 1 2 PHE O O -0.733 3.424 -3.850 1.00 . A A . 2 PHE O 1 1
19 3591 1 1 3 ABA C C -2.093 3.652 -1.422 1.00 . A A . 3 AIB C 1 1
19 3592 1 1 3 ABA CA C -2.785 2.544 -2.209 1.00 . A A . 3 AIB CA 1 1
19 3593 1 1 3 ABA H H -1.807 0.734 -2.706 1.00 . A A . 3 AIB H 1 1
19 3594 1 1 3 ABA N N -1.781 1.703 -2.849 1.00 . A A . 3 AIB N 1 1
19 3595 1 1 3 ABA O O -2.440 4.826 -1.548 1.00 . A A . 3 AIB O 1 1
19 3596 1 1 4 ABA C C 0.349 5.215 -0.714 1.00 . A A . 4 AIB C 1 1
19 3597 1 1 4 ABA CA C -0.374 4.231 0.200 1.00 . A A . 4 AIB CA 1 1
19 3598 1 1 4 ABA H H -0.884 2.319 -0.551 1.00 . A A . 4 AIB H 1 1
19 3599 1 1 4 ABA N N -1.114 3.270 -0.608 1.00 . A A . 4 AIB N 1 1
19 3600 1 1 4 ABA O O 0.444 6.403 -0.411 1.00 . A A . 4 AIB O 1 1
19 3601 1 1 5 ABA C C 0.682 6.713 -3.210 1.00 . A A . 5 AIB C 1 1
19 3602 1 1 5 ABA CA C 1.569 5.545 -2.794 1.00 . A A . 5 AIB CA 1 1
19 3603 1 1 5 ABA H H 0.747 3.755 -2.021 1.00 . A A . 5 AIB H 1 1
19 3604 1 1 5 ABA N N 0.855 4.711 -1.835 1.00 . A A . 5 AIB N 1 1
19 3605 1 1 5 ABA O O 1.171 7.803 -3.506 1.00 . A A . 5 AIB O 1 1
19 3606 1 1 6 . C C -1.330 8.767 -2.783 1.00 . A A . 6 DIV C 1 1
19 3607 1 1 6 . CA C -1.582 7.511 -3.611 1.00 . A A . 6 DIV CA 1 1
19 3608 1 1 6 . CB1 C -1.416 7.837 -5.092 1.00 . A A . 6 DIV CB1 1 1
19 3609 1 1 6 . CB2 C -3.000 7.010 -3.357 1.00 . A A . 6 DIV CB2 1 1
19 3610 1 1 6 . CG1 C -1.366 6.615 -5.982 1.00 . A A . 6 DIV CG1 1 1
19 3611 1 1 6 . H H -0.956 5.589 -2.985 1.00 . A A . 6 DIV H 1 1
19 3612 1 1 6 . HB11 H -0.503 8.396 -5.234 1.00 . A A . 6 DIV HB11 1 1
19 3613 1 1 6 . HB12 H -2.240 8.456 -5.415 1.00 . A A . 6 DIV HB12 1 1
19 3614 1 1 6 . HB21 H -3.705 7.647 -3.871 1.00 . A A . 6 DIV HB21 1 1
19 3615 1 1 6 . HB22 H -3.204 7.031 -2.296 1.00 . A A . 6 DIV HB22 1 1
19 3616 1 1 6 . HB23 H -3.095 5.999 -3.722 1.00 . A A . 6 DIV HB23 1 1
19 3617 1 1 6 . HG11 H -0.502 6.018 -5.727 1.00 . A A . 6 DIV HG11 1 1
19 3618 1 1 6 . HG12 H -1.296 6.924 -7.015 1.00 . A A . 6 DIV HG12 1 1
19 3619 1 1 6 . HG13 H -2.262 6.029 -5.842 1.00 . A A . 6 DIV HG13 1 1
19 3620 1 1 6 . N N -0.626 6.478 -3.231 1.00 . A A . 6 DIV N 1 1
19 3621 1 1 6 . O O -1.536 9.885 -3.254 1.00 . A A . 6 DIV O 1 1
19 3622 1 1 7 GLY C C 0.333 10.706 -1.300 1.00 . A A . 7 GLY C 1 1
19 3623 1 1 7 GLY CA C -0.610 9.700 -0.672 1.00 . A A . 7 GLY CA 1 1
19 3624 1 1 7 GLY H H -0.737 7.660 -1.224 1.00 . A A . 7 GLY H 1 1
19 3625 1 1 7 GLY HA2 H -1.542 10.193 -0.437 1.00 . A A . 7 GLY HA2 1 1
19 3626 1 1 7 GLY HA3 H -0.169 9.332 0.243 1.00 . A A . 7 GLY HA3 1 1
19 3627 1 1 7 GLY N N -0.883 8.574 -1.546 1.00 . A A . 7 GLY N 1 1
19 3628 1 1 7 GLY O O 0.220 11.909 -1.060 1.00 . A A . 7 GLY O 1 1
19 3629 1 1 8 LEU C C 1.601 11.807 -3.949 1.00 . A A . 8 LEU C 1 1
19 3630 1 1 8 LEU CA C 2.238 11.080 -2.769 1.00 . A A . 8 LEU CA 1 1
19 3631 1 1 8 LEU CB C 3.438 10.261 -3.248 1.00 . A A . 8 LEU CB 1 1
19 3632 1 1 8 LEU CD1 C 4.349 9.026 -1.265 1.00 . A A . 8 LEU CD1 1 1
19 3633 1 1 8 LEU CD2 C 5.908 9.904 -3.013 1.00 . A A . 8 LEU CD2 1 1
19 3634 1 1 8 LEU CG C 4.604 10.142 -2.266 1.00 . A A . 8 LEU CG 1 1
19 3635 1 1 8 LEU H H 1.309 9.248 -2.258 1.00 . A A . 8 LEU H 1 1
19 3636 1 1 8 LEU HA H 2.575 11.812 -2.051 1.00 . A A . 8 LEU HA 1 1
19 3637 1 1 8 LEU HB2 H 3.090 9.263 -3.469 1.00 . A A . 8 LEU HB2 1 1
19 3638 1 1 8 LEU HB3 H 3.811 10.720 -4.152 1.00 . A A . 8 LEU HB3 1 1
19 3639 1 1 8 LEU HD11 H 3.344 9.111 -0.880 1.00 . A A . 8 LEU HD11 1 1
19 3640 1 1 8 LEU HD12 H 5.054 9.104 -0.451 1.00 . A A . 8 LEU HD12 1 1
19 3641 1 1 8 LEU HD13 H 4.468 8.070 -1.755 1.00 . A A . 8 LEU HD13 1 1
19 3642 1 1 8 LEU HD21 H 6.593 9.361 -2.377 1.00 . A A . 8 LEU HD21 1 1
19 3643 1 1 8 LEU HD22 H 6.346 10.853 -3.285 1.00 . A A . 8 LEU HD22 1 1
19 3644 1 1 8 LEU HD23 H 5.712 9.328 -3.905 1.00 . A A . 8 LEU HD23 1 1
19 3645 1 1 8 LEU HG H 4.698 11.068 -1.715 1.00 . A A . 8 LEU HG 1 1
19 3646 1 1 8 LEU N N 1.269 10.215 -2.105 1.00 . A A . 8 LEU N 1 1
19 3647 1 1 8 LEU O O 2.076 12.861 -4.371 1.00 . A A . 8 LEU O 1 1
19 3648 1 1 9 ABA C C -1.123 12.920 -5.102 1.00 . A A . 9 AIB C 1 1
19 3649 1 1 9 ABA CA C -0.181 11.832 -5.606 1.00 . A A . 9 AIB CA 1 1
19 3650 1 1 9 ABA H H 0.192 10.397 -4.096 1.00 . A A . 9 AIB H 1 1
19 3651 1 1 9 ABA N N 0.522 11.237 -4.476 1.00 . A A . 9 AIB N 1 1
19 3652 1 1 9 ABA O O -1.592 13.755 -5.875 1.00 . A A . 9 AIB O 1 1
19 3653 1 1 10 ABA C C -1.732 15.290 -3.444 1.00 . A A . 10 AIB C 1 1
19 3654 1 1 10 ABA CA C -2.283 13.890 -3.195 1.00 . A A . 10 AIB CA 1 1
19 3655 1 1 10 ABA H H -0.992 12.213 -3.237 1.00 . A A . 10 AIB H 1 1
19 3656 1 1 10 ABA N N -1.396 12.904 -3.802 1.00 . A A . 10 AIB N 1 1
19 3657 1 1 10 ABA O O -2.415 16.166 -3.975 1.00 . A A . 10 AIB O 1 1
19 3658 1 1 11 HYP C C 0.172 17.281 -4.671 1.00 . A A . 11 HYP C 1 1
19 3659 1 1 11 HYP CA C 0.202 16.800 -3.224 1.00 . A A . 11 HYP CA 1 1
19 3660 1 1 11 HYP CB C 1.641 16.514 -2.786 1.00 . A A . 11 HYP CB 1 1
19 3661 1 1 11 HYP CD C 0.405 14.509 -2.413 1.00 . A A . 11 HYP CD 1 1
19 3662 1 1 11 HYP CG C 1.538 15.314 -1.909 1.00 . A A . 11 HYP CG 1 1
19 3663 1 1 11 HYP HA H -0.227 17.557 -2.585 1.00 . A A . 11 HYP HA 1 1
19 3664 1 1 11 HYP HB2 H 2.253 16.318 -3.655 1.00 . A A . 11 HYP HB2 1 1
19 3665 1 1 11 HYP HB3 H 2.032 17.364 -2.247 1.00 . A A . 11 HYP HB3 1 1
19 3666 1 1 11 HYP HD1 H 1.712 14.870 0.006 1.00 . A A . 11 HYP HD1 1 1
19 3667 1 1 11 HYP HD22 H 0.612 13.690 -3.087 1.00 . A A . 11 HYP HD22 1 1
19 3668 1 1 11 HYP HD23 H -0.035 14.143 -1.497 1.00 . A A . 11 HYP HD23 1 1
19 3669 1 1 11 HYP HG H 2.218 14.554 -2.265 1.00 . A A . 11 HYP HG 1 1
19 3670 1 1 11 HYP N N -0.468 15.507 -3.053 1.00 . A A . 11 HYP N 1 1
19 3671 1 1 11 HYP O O 0.385 18.462 -4.946 1.00 . A A . 11 HYP O 1 1
19 3672 1 1 11 HYP OD1 O 1.837 15.645 -0.547 1.00 . A A . 11 HYP OD1 1 1
19 3673 1 1 12 GLN C C -1.556 17.135 -7.408 1.00 . A A . 12 GLN C 1 1
19 3674 1 1 12 GLN CA C -0.152 16.691 -7.009 1.00 . A A . 12 GLN CA 1 1
19 3675 1 1 12 GLN CB C 0.275 15.490 -7.854 1.00 . A A . 12 GLN CB 1 1
19 3676 1 1 12 GLN CD C 2.495 16.472 -8.554 1.00 . A A . 12 GLN CD 1 1
19 3677 1 1 12 GLN CG C 1.782 15.296 -7.917 1.00 . A A . 12 GLN CG 1 1
19 3678 1 1 12 GLN H H -0.255 15.436 -5.309 1.00 . A A . 12 GLN H 1 1
19 3679 1 1 12 GLN HA H 0.533 17.506 -7.187 1.00 . A A . 12 GLN HA 1 1
19 3680 1 1 12 GLN HB2 H -0.164 14.596 -7.436 1.00 . A A . 12 GLN HB2 1 1
19 3681 1 1 12 GLN HB3 H -0.091 15.624 -8.861 1.00 . A A . 12 GLN HB3 1 1
19 3682 1 1 12 GLN HE21 H 3.509 16.798 -6.875 1.00 . A A . 12 GLN HE21 1 1
19 3683 1 1 12 GLN HE22 H 3.848 17.879 -8.179 1.00 . A A . 12 GLN HE22 1 1
19 3684 1 1 12 GLN HG2 H 2.158 15.167 -6.913 1.00 . A A . 12 GLN HG2 1 1
19 3685 1 1 12 GLN HG3 H 1.993 14.409 -8.496 1.00 . A A . 12 GLN HG3 1 1
19 3686 1 1 12 GLN N N -0.094 16.360 -5.591 1.00 . A A . 12 GLN N 1 1
19 3687 1 1 12 GLN NE2 N 3.372 17.116 -7.793 1.00 . A A . 12 GLN NE2 1 1
19 3688 1 1 12 GLN O O -1.750 17.743 -8.460 1.00 . A A . 12 GLN O 1 1
19 3689 1 1 12 GLN OE1 O 2.261 16.799 -9.718 1.00 . A A . 12 GLN OE1 1 1
19 3690 1 1 13 . C C -4.036 18.710 -6.904 1.00 . A A . 13 DIV C 1 1
19 3691 1 1 13 . CA C -3.918 17.191 -6.825 1.00 . A A . 13 DIV CA 1 1
19 3692 1 1 13 . CB1 C -4.362 16.578 -8.149 1.00 . A A . 13 DIV CB1 1 1
19 3693 1 1 13 . CB2 C -4.805 16.670 -5.700 1.00 . A A . 13 DIV CB2 1 1
19 3694 1 1 13 . CG1 C -3.663 15.278 -8.483 1.00 . A A . 13 DIV CG1 1 1
19 3695 1 1 13 . H H -2.314 16.339 -5.738 1.00 . A A . 13 DIV H 1 1
19 3696 1 1 13 . HB11 H -4.171 17.278 -8.949 1.00 . A A . 13 DIV HB11 1 1
19 3697 1 1 13 . HB12 H -5.425 16.390 -8.116 1.00 . A A . 13 DIV HB12 1 1
19 3698 1 1 13 . HB21 H -5.719 16.272 -6.117 1.00 . A A . 13 DIV HB21 1 1
19 3699 1 1 13 . HB22 H -5.040 17.477 -5.022 1.00 . A A . 13 DIV HB22 1 1
19 3700 1 1 13 . HB23 H -4.285 15.890 -5.164 1.00 . A A . 13 DIV HB23 1 1
19 3701 1 1 13 . HG11 H -4.255 14.724 -9.196 1.00 . A A . 13 DIV HG11 1 1
19 3702 1 1 13 . HG12 H -3.543 14.693 -7.583 1.00 . A A . 13 DIV HG12 1 1
19 3703 1 1 13 . HG13 H -2.693 15.489 -8.907 1.00 . A A . 13 DIV HG13 1 1
19 3704 1 1 13 . N N -2.532 16.825 -6.561 1.00 . A A . 13 DIV N 1 1
19 3705 1 1 13 . O O -4.587 19.266 -7.854 1.00 . A A . 13 DIV O 1 1
19 3706 1 1 14 HYP C C -2.419 21.507 -6.616 1.00 . A A . 14 HYP C 1 1
19 3707 1 1 14 HYP CA C -3.542 20.862 -5.811 1.00 . A A . 14 HYP CA 1 1
19 3708 1 1 14 HYP CB C -3.364 21.151 -4.319 1.00 . A A . 14 HYP CB 1 1
19 3709 1 1 14 HYP CD C -2.837 18.801 -4.714 1.00 . A A . 14 HYP CD 1 1
19 3710 1 1 14 HYP CG C -2.674 19.945 -3.780 1.00 . A A . 14 HYP CG 1 1
19 3711 1 1 14 HYP HA H -4.492 21.254 -6.144 1.00 . A A . 14 HYP HA 1 1
19 3712 1 1 14 HYP HB2 H -2.764 22.041 -4.190 1.00 . A A . 14 HYP HB2 1 1
19 3713 1 1 14 HYP HB3 H -4.330 21.291 -3.857 1.00 . A A . 14 HYP HB3 1 1
19 3714 1 1 14 HYP HD1 H -3.603 20.263 -2.069 1.00 . A A . 14 HYP HD1 1 1
19 3715 1 1 14 HYP HD22 H -1.889 18.366 -4.996 1.00 . A A . 14 HYP HD22 1 1
19 3716 1 1 14 HYP HD23 H -3.469 18.063 -4.243 1.00 . A A . 14 HYP HD23 1 1
19 3717 1 1 14 HYP HG H -1.632 20.177 -3.611 1.00 . A A . 14 HYP HG 1 1
19 3718 1 1 14 HYP N N -3.508 19.399 -5.881 1.00 . A A . 14 HYP N 1 1
19 3719 1 1 14 HYP O O -2.349 22.730 -6.732 1.00 . A A . 14 HYP O 1 1
19 3720 1 1 14 HYP OD1 O -3.285 19.503 -2.561 1.00 . A A . 14 HYP OD1 1 1
19 3721 1 1 15 ABA C C -0.947 22.049 -9.093 1.00 . A A . 15 AIB C 1 1
19 3722 1 1 15 ABA CA C -0.422 21.166 -7.965 1.00 . A A . 15 AIB CA 1 1
19 3723 1 1 15 ABA H H -1.651 19.711 -7.043 1.00 . A A . 15 AIB H 1 1
19 3724 1 1 15 ABA N N -1.542 20.676 -7.171 1.00 . A A . 15 AIB N 1 1
19 3725 1 1 15 ABA O O -0.571 23.214 -9.229 1.00 . A A . 15 AIB O 1 1
19 3726 1 1 16 PRO C C -3.478 23.219 -10.608 1.00 . A A . 16 PRO C 1 1
19 3727 1 1 16 PRO CA C -2.432 22.202 -11.053 1.00 . A A . 16 PRO CA 1 1
19 3728 1 1 16 PRO CB C -3.086 21.089 -11.876 1.00 . A A . 16 PRO CB 1 1
19 3729 1 1 16 PRO CD C -2.330 20.100 -9.820 1.00 . A A . 16 PRO CD 1 1
19 3730 1 1 16 PRO CG C -3.368 20.006 -10.892 1.00 . A A . 16 PRO CG 1 1
19 3731 1 1 16 PRO HA H -1.680 22.698 -11.649 1.00 . A A . 16 PRO HA 1 1
19 3732 1 1 16 PRO HB2 H -3.995 21.459 -12.329 1.00 . A A . 16 PRO HB2 1 1
19 3733 1 1 16 PRO HB3 H -2.404 20.756 -12.644 1.00 . A A . 16 PRO HB3 1 1
19 3734 1 1 16 PRO HD2 H -2.787 19.924 -8.858 1.00 . A A . 16 PRO HD2 1 1
19 3735 1 1 16 PRO HD3 H -1.532 19.393 -9.997 1.00 . A A . 16 PRO HD3 1 1
19 3736 1 1 16 PRO HG2 H -4.348 20.146 -10.463 1.00 . A A . 16 PRO HG2 1 1
19 3737 1 1 16 PRO HG3 H -3.303 19.044 -11.378 1.00 . A A . 16 PRO HG3 1 1
19 3738 1 1 16 PRO N N -1.837 21.484 -9.923 1.00 . A A . 16 PRO N 1 1
19 3739 1 1 16 PRO O O -3.942 24.036 -11.403 1.00 . A A . 16 PRO O 1 1
19 3740 1 1 17 PHL C C -4.194 25.041 -7.784 1.00 . A A . 17 PHL C 1 1
19 3741 1 1 17 PHL CA C -4.836 24.080 -8.780 1.00 . A A . 17 PHL CA 1 1
19 3742 1 1 17 PHL CB C -5.961 23.298 -8.100 1.00 . A A . 17 PHL CB 1 1
19 3743 1 1 17 PHL CD1 C -6.986 21.322 -9.258 1.00 . A A . 17 PHL CD1 1 1
19 3744 1 1 17 PHL CD2 C -7.814 23.496 -9.780 1.00 . A A . 17 PHL CD2 1 1
19 3745 1 1 17 PHL CE1 C -7.886 20.762 -10.145 1.00 . A A . 17 PHL CE1 1 1
19 3746 1 1 17 PHL CE2 C -8.716 22.942 -10.668 1.00 . A A . 17 PHL CE2 1 1
19 3747 1 1 17 PHL CG C -6.940 22.693 -9.065 1.00 . A A . 17 PHL CG 1 1
19 3748 1 1 17 PHL CZ C -8.752 21.574 -10.852 1.00 . A A . 17 PHL CZ 1 1
19 3749 1 1 17 PHL H H -3.438 22.490 -8.746 1.00 . A A . 17 PHL H 1 1
19 3750 1 1 17 PHL HA H -5.249 24.651 -9.598 1.00 . A A . 17 PHL HA 1 1
19 3751 1 1 17 PHL HB2 H -5.532 22.496 -7.518 1.00 . A A . 17 PHL HB2 1 1
19 3752 1 1 17 PHL HB3 H -6.506 23.962 -7.445 1.00 . A A . 17 PHL HB3 1 1
19 3753 1 1 17 PHL HC1 H -4.672 26.006 -7.862 1.00 . A A . 17 PHL HC1 1 1
19 3754 1 1 17 PHL HC2 H -4.318 24.652 -6.784 1.00 . A A . 17 PHL HC2 1 1
19 3755 1 1 17 PHL HD1 H -6.309 20.686 -8.705 1.00 . A A . 17 PHL HD1 1 1
19 3756 1 1 17 PHL HD2 H -7.787 24.567 -9.639 1.00 . A A . 17 PHL HD2 1 1
19 3757 1 1 17 PHL HE1 H -7.911 19.692 -10.286 1.00 . A A . 17 PHL HE1 1 1
19 3758 1 1 17 PHL HE2 H -9.392 23.579 -11.220 1.00 . A A . 17 PHL HE2 1 1
19 3759 1 1 17 PHL HO H -2.294 25.001 -7.252 1.00 . A A . 17 PHL HO 1 1
19 3760 1 1 17 PHL HZ H -9.456 21.138 -11.545 1.00 . A A . 17 PHL HZ 1 1
19 3761 1 1 17 PHL N N -3.844 23.164 -9.332 1.00 . A A . 17 PHL N 1 1
19 3762 1 1 17 PHL O O -2.794 25.197 -8.048 1.00 . A A . 17 PHL O 1 1
20 3763 1 1 1 ACE C C 1.509 0.892 -2.193 1.00 . A A . 1 ACE C 1 1
20 3764 1 1 1 ACE CH3 C 2.083 -0.074 -1.176 1.00 . A A . 1 ACE CH3 1 1
20 3765 1 1 1 ACE H1 H 3.152 -0.146 -1.309 1.00 . A A . 1 ACE H1 1 1
20 3766 1 1 1 ACE H2 H 1.637 -1.048 -1.312 1.00 . A A . 1 ACE H2 1 1
20 3767 1 1 1 ACE H3 H 1.868 0.283 -0.178 1.00 . A A . 1 ACE H3 1 1
20 3768 1 1 1 ACE O O 1.746 2.098 -2.117 1.00 . A A . 1 ACE O 1 1
20 3769 1 1 2 PHE C C -0.832 2.190 -3.583 1.00 . A A . 2 PHE C 1 1
20 3770 1 1 2 PHE CA C 0.146 1.187 -4.187 1.00 . A A . 2 PHE CA 1 1
20 3771 1 1 2 PHE CB C -0.576 0.306 -5.210 1.00 . A A . 2 PHE CB 1 1
20 3772 1 1 2 PHE CD1 C 0.148 1.437 -7.329 1.00 . A A . 2 PHE CD1 1 1
20 3773 1 1 2 PHE CD2 C -2.187 1.248 -6.887 1.00 . A A . 2 PHE CD2 1 1
20 3774 1 1 2 PHE CE1 C -0.127 2.087 -8.518 1.00 . A A . 2 PHE CE1 1 1
20 3775 1 1 2 PHE CE2 C -2.468 1.896 -8.075 1.00 . A A . 2 PHE CE2 1 1
20 3776 1 1 2 PHE CG C -0.878 1.011 -6.501 1.00 . A A . 2 PHE CG 1 1
20 3777 1 1 2 PHE CZ C -1.437 2.316 -8.892 1.00 . A A . 2 PHE CZ 1 1
20 3778 1 1 2 PHE H H 0.601 -0.606 -3.157 1.00 . A A . 2 PHE H 1 1
20 3779 1 1 2 PHE HA H 0.936 1.727 -4.685 1.00 . A A . 2 PHE HA 1 1
20 3780 1 1 2 PHE HB2 H 0.041 -0.550 -5.436 1.00 . A A . 2 PHE HB2 1 1
20 3781 1 1 2 PHE HB3 H -1.511 -0.030 -4.787 1.00 . A A . 2 PHE HB3 1 1
20 3782 1 1 2 PHE HD1 H 1.173 1.258 -7.039 1.00 . A A . 2 PHE HD1 1 1
20 3783 1 1 2 PHE HD2 H -2.995 0.920 -6.249 1.00 . A A . 2 PHE HD2 1 1
20 3784 1 1 2 PHE HE1 H 0.682 2.413 -9.155 1.00 . A A . 2 PHE HE1 1 1
20 3785 1 1 2 PHE HE2 H -3.494 2.074 -8.364 1.00 . A A . 2 PHE HE2 1 1
20 3786 1 1 2 PHE HZ H -1.654 2.823 -9.819 1.00 . A A . 2 PHE HZ 1 1
20 3787 1 1 2 PHE N N 0.753 0.363 -3.149 1.00 . A A . 2 PHE N 1 1
20 3788 1 1 2 PHE O O -0.721 3.395 -3.808 1.00 . A A . 2 PHE O 1 1
20 3789 1 1 3 ABA C C -2.090 3.635 -1.388 1.00 . A A . 3 AIB C 1 1
20 3790 1 1 3 ABA CA C -2.789 2.534 -2.178 1.00 . A A . 3 AIB CA 1 1
20 3791 1 1 3 ABA H H -1.827 0.715 -2.673 1.00 . A A . 3 AIB H 1 1
20 3792 1 1 3 ABA N N -1.791 1.683 -2.815 1.00 . A A . 3 AIB N 1 1
20 3793 1 1 3 ABA O O -2.428 4.812 -1.511 1.00 . A A . 3 AIB O 1 1
20 3794 1 1 4 ABA C C 0.362 5.182 -0.679 1.00 . A A . 4 AIB C 1 1
20 3795 1 1 4 ABA CA C -0.365 4.199 0.233 1.00 . A A . 4 AIB CA 1 1
20 3796 1 1 4 ABA H H -0.888 2.293 -0.522 1.00 . A A . 4 AIB H 1 1
20 3797 1 1 4 ABA N N -1.112 3.245 -0.577 1.00 . A A . 4 AIB N 1 1
20 3798 1 1 4 ABA O O 0.470 6.368 -0.370 1.00 . A A . 4 AIB O 1 1
20 3799 1 1 5 ABA C C 0.688 6.682 -3.182 1.00 . A A . 5 AIB C 1 1
20 3800 1 1 5 ABA CA C 1.574 5.513 -2.764 1.00 . A A . 5 AIB CA 1 1
20 3801 1 1 5 ABA H H 0.739 3.726 -1.997 1.00 . A A . 5 AIB H 1 1
20 3802 1 1 5 ABA N N 0.857 4.680 -1.806 1.00 . A A . 5 AIB N 1 1
20 3803 1 1 5 ABA O O 1.179 7.771 -3.479 1.00 . A A . 5 AIB O 1 1
20 3804 1 1 6 . C C -1.322 8.739 -2.758 1.00 . A A . 6 DIV C 1 1
20 3805 1 1 6 . CA C -1.575 7.482 -3.585 1.00 . A A . 6 DIV CA 1 1
20 3806 1 1 6 . CB1 C -1.407 7.806 -5.066 1.00 . A A . 6 DIV CB1 1 1
20 3807 1 1 6 . CB2 C -2.993 6.983 -3.331 1.00 . A A . 6 DIV CB2 1 1
20 3808 1 1 6 . CG1 C -1.357 6.584 -5.955 1.00 . A A . 6 DIV CG1 1 1
20 3809 1 1 6 . H H -0.951 5.560 -2.956 1.00 . A A . 6 DIV H 1 1
20 3810 1 1 6 . HB11 H -0.493 8.364 -5.208 1.00 . A A . 6 DIV HB11 1 1
20 3811 1 1 6 . HB12 H -2.230 8.426 -5.391 1.00 . A A . 6 DIV HB12 1 1
20 3812 1 1 6 . HB21 H -3.679 7.501 -3.986 1.00 . A A . 6 DIV HB21 1 1
20 3813 1 1 6 . HB22 H -3.263 7.174 -2.303 1.00 . A A . 6 DIV HB22 1 1
20 3814 1 1 6 . HB23 H -3.042 5.922 -3.526 1.00 . A A . 6 DIV HB23 1 1
20 3815 1 1 6 . HG11 H -1.727 6.837 -6.938 1.00 . A A . 6 DIV HG11 1 1
20 3816 1 1 6 . HG12 H -1.972 5.804 -5.530 1.00 . A A . 6 DIV HG12 1 1
20 3817 1 1 6 . HG13 H -0.338 6.236 -6.033 1.00 . A A . 6 DIV HG13 1 1
20 3818 1 1 6 . N N -0.620 6.449 -3.203 1.00 . A A . 6 DIV N 1 1
20 3819 1 1 6 . O O -1.527 9.856 -3.230 1.00 . A A . 6 DIV O 1 1
20 3820 1 1 7 GLY C C 0.343 10.678 -1.276 1.00 . A A . 7 GLY C 1 1
20 3821 1 1 7 GLY CA C -0.602 9.673 -0.647 1.00 . A A . 7 GLY CA 1 1
20 3822 1 1 7 GLY H H -0.730 7.632 -1.198 1.00 . A A . 7 GLY H 1 1
20 3823 1 1 7 GLY HA2 H -1.533 10.167 -0.413 1.00 . A A . 7 GLY HA2 1 1
20 3824 1 1 7 GLY HA3 H -0.161 9.306 0.268 1.00 . A A . 7 GLY HA3 1 1
20 3825 1 1 7 GLY N N -0.875 8.546 -1.521 1.00 . A A . 7 GLY N 1 1
20 3826 1 1 7 GLY O O 0.230 11.881 -1.037 1.00 . A A . 7 GLY O 1 1
20 3827 1 1 8 LEU C C 1.612 11.775 -3.926 1.00 . A A . 8 LEU C 1 1
20 3828 1 1 8 LEU CA C 2.248 11.049 -2.745 1.00 . A A . 8 LEU CA 1 1
20 3829 1 1 8 LEU CB C 3.447 10.229 -3.223 1.00 . A A . 8 LEU CB 1 1
20 3830 1 1 8 LEU CD1 C 4.357 8.995 -1.239 1.00 . A A . 8 LEU CD1 1 1
20 3831 1 1 8 LEU CD2 C 5.917 9.871 -2.987 1.00 . A A . 8 LEU CD2 1 1
20 3832 1 1 8 LEU CG C 4.613 10.111 -2.240 1.00 . A A . 8 LEU CG 1 1
20 3833 1 1 8 LEU H H 1.317 9.219 -2.233 1.00 . A A . 8 LEU H 1 1
20 3834 1 1 8 LEU HA H 2.585 11.781 -2.027 1.00 . A A . 8 LEU HA 1 1
20 3835 1 1 8 LEU HB2 H 3.099 9.232 -3.443 1.00 . A A . 8 LEU HB2 1 1
20 3836 1 1 8 LEU HB3 H 3.821 10.687 -4.128 1.00 . A A . 8 LEU HB3 1 1
20 3837 1 1 8 LEU HD11 H 5.064 9.071 -0.427 1.00 . A A . 8 LEU HD11 1 1
20 3838 1 1 8 LEU HD12 H 4.472 8.039 -1.729 1.00 . A A . 8 LEU HD12 1 1
20 3839 1 1 8 LEU HD13 H 3.352 9.082 -0.853 1.00 . A A . 8 LEU HD13 1 1
20 3840 1 1 8 LEU HD21 H 6.355 10.819 -3.260 1.00 . A A . 8 LEU HD21 1 1
20 3841 1 1 8 LEU HD22 H 5.720 9.295 -3.880 1.00 . A A . 8 LEU HD22 1 1
20 3842 1 1 8 LEU HD23 H 6.601 9.327 -2.352 1.00 . A A . 8 LEU HD23 1 1
20 3843 1 1 8 LEU HG H 4.707 11.037 -1.690 1.00 . A A . 8 LEU HG 1 1
20 3844 1 1 8 LEU N N 1.277 10.185 -2.081 1.00 . A A . 8 LEU N 1 1
20 3845 1 1 8 LEU O O 2.087 12.829 -4.349 1.00 . A A . 8 LEU O 1 1
20 3846 1 1 9 ABA C C -1.112 12.890 -5.081 1.00 . A A . 9 AIB C 1 1
20 3847 1 1 9 ABA CA C -0.171 11.800 -5.583 1.00 . A A . 9 AIB CA 1 1
20 3848 1 1 9 ABA H H 0.201 10.366 -4.072 1.00 . A A . 9 AIB H 1 1
20 3849 1 1 9 ABA N N 0.532 11.206 -4.453 1.00 . A A . 9 AIB N 1 1
20 3850 1 1 9 ABA O O -1.580 13.725 -5.854 1.00 . A A . 9 AIB O 1 1
20 3851 1 1 10 ABA C C -1.719 15.262 -3.425 1.00 . A A . 10 AIB C 1 1
20 3852 1 1 10 ABA CA C -2.271 13.862 -3.174 1.00 . A A . 10 AIB CA 1 1
20 3853 1 1 10 ABA H H -0.981 12.184 -3.215 1.00 . A A . 10 AIB H 1 1
20 3854 1 1 10 ABA N N -1.385 12.875 -3.780 1.00 . A A . 10 AIB N 1 1
20 3855 1 1 10 ABA O O -2.401 16.138 -3.957 1.00 . A A . 10 AIB O 1 1
20 3856 1 1 11 HYP C C 0.187 17.250 -4.654 1.00 . A A . 11 HYP C 1 1
20 3857 1 1 11 HYP CA C 0.217 16.770 -3.207 1.00 . A A . 11 HYP CA 1 1
20 3858 1 1 11 HYP CB C 1.655 16.484 -2.767 1.00 . A A . 11 HYP CB 1 1
20 3859 1 1 11 HYP CD C 0.417 14.480 -2.393 1.00 . A A . 11 HYP CD 1 1
20 3860 1 1 11 HYP CG C 1.551 15.285 -1.889 1.00 . A A . 11 HYP CG 1 1
20 3861 1 1 11 HYP HA H -0.212 17.529 -2.568 1.00 . A A . 11 HYP HA 1 1
20 3862 1 1 11 HYP HB2 H 2.267 16.286 -3.637 1.00 . A A . 11 HYP HB2 1 1
20 3863 1 1 11 HYP HB3 H 2.047 17.334 -2.230 1.00 . A A . 11 HYP HB3 1 1
20 3864 1 1 11 HYP HD1 H 1.085 16.008 -0.113 1.00 . A A . 11 HYP HD1 1 1
20 3865 1 1 11 HYP HD22 H 0.624 13.661 -3.066 1.00 . A A . 11 HYP HD22 1 1
20 3866 1 1 11 HYP HD23 H -0.023 14.116 -1.477 1.00 . A A . 11 HYP HD23 1 1
20 3867 1 1 11 HYP HG H 2.227 14.522 -2.247 1.00 . A A . 11 HYP HG 1 1
20 3868 1 1 11 HYP N N -0.455 15.479 -3.034 1.00 . A A . 11 HYP N 1 1
20 3869 1 1 11 HYP O O 0.402 18.430 -4.930 1.00 . A A . 11 HYP O 1 1
20 3870 1 1 11 HYP OD1 O 1.856 15.616 -0.528 1.00 . A A . 11 HYP OD1 1 1
20 3871 1 1 12 GLN C C -1.540 17.102 -7.391 1.00 . A A . 12 GLN C 1 1
20 3872 1 1 12 GLN CA C -0.137 16.658 -6.992 1.00 . A A . 12 GLN CA 1 1
20 3873 1 1 12 GLN CB C 0.290 15.455 -7.835 1.00 . A A . 12 GLN CB 1 1
20 3874 1 1 12 GLN CD C 2.481 16.285 -8.781 1.00 . A A . 12 GLN CD 1 1
20 3875 1 1 12 GLN CG C 1.796 15.260 -7.898 1.00 . A A . 12 GLN CG 1 1
20 3876 1 1 12 GLN H H -0.242 15.404 -5.290 1.00 . A A . 12 GLN H 1 1
20 3877 1 1 12 GLN HA H 0.549 17.473 -7.170 1.00 . A A . 12 GLN HA 1 1
20 3878 1 1 12 GLN HB2 H -0.150 14.563 -7.416 1.00 . A A . 12 GLN HB2 1 1
20 3879 1 1 12 GLN HB3 H -0.077 15.589 -8.842 1.00 . A A . 12 GLN HB3 1 1
20 3880 1 1 12 GLN HE21 H 2.566 17.570 -7.266 1.00 . A A . 12 GLN HE21 1 1
20 3881 1 1 12 GLN HE22 H 3.236 18.123 -8.759 1.00 . A A . 12 GLN HE22 1 1
20 3882 1 1 12 GLN HG2 H 2.199 15.342 -6.899 1.00 . A A . 12 GLN HG2 1 1
20 3883 1 1 12 GLN HG3 H 2.002 14.275 -8.288 1.00 . A A . 12 GLN HG3 1 1
20 3884 1 1 12 GLN N N -0.080 16.328 -5.573 1.00 . A A . 12 GLN N 1 1
20 3885 1 1 12 GLN NE2 N 2.792 17.444 -8.212 1.00 . A A . 12 GLN NE2 1 1
20 3886 1 1 12 GLN O O -1.734 17.709 -8.444 1.00 . A A . 12 GLN O 1 1
20 3887 1 1 12 GLN OE1 O 2.727 16.038 -9.962 1.00 . A A . 12 GLN OE1 1 1
20 3888 1 1 13 . C C -4.020 18.680 -6.889 1.00 . A A . 13 DIV C 1 1
20 3889 1 1 13 . CA C -3.902 17.162 -6.809 1.00 . A A . 13 DIV CA 1 1
20 3890 1 1 13 . CB1 C -4.347 16.547 -8.132 1.00 . A A . 13 DIV CB1 1 1
20 3891 1 1 13 . CB2 C -4.790 16.642 -5.683 1.00 . A A . 13 DIV CB2 1 1
20 3892 1 1 13 . CG1 C -3.649 15.246 -8.464 1.00 . A A . 13 DIV CG1 1 1
20 3893 1 1 13 . H H -2.300 16.310 -5.720 1.00 . A A . 13 DIV H 1 1
20 3894 1 1 13 . HB11 H -4.155 17.246 -8.932 1.00 . A A . 13 DIV HB11 1 1
20 3895 1 1 13 . HB12 H -5.410 16.360 -8.099 1.00 . A A . 13 DIV HB12 1 1
20 3896 1 1 13 . HB21 H -5.704 16.245 -6.099 1.00 . A A . 13 DIV HB21 1 1
20 3897 1 1 13 . HB22 H -5.024 17.450 -5.006 1.00 . A A . 13 DIV HB22 1 1
20 3898 1 1 13 . HB23 H -4.271 15.862 -5.146 1.00 . A A . 13 DIV HB23 1 1
20 3899 1 1 13 . HG11 H -4.242 14.692 -9.177 1.00 . A A . 13 DIV HG11 1 1
20 3900 1 1 13 . HG12 H -3.529 14.662 -7.563 1.00 . A A . 13 DIV HG12 1 1
20 3901 1 1 13 . HG13 H -2.679 15.456 -8.889 1.00 . A A . 13 DIV HG13 1 1
20 3902 1 1 13 . N N -2.517 16.795 -6.544 1.00 . A A . 13 DIV N 1 1
20 3903 1 1 13 . O O -4.570 19.235 -7.840 1.00 . A A . 13 DIV O 1 1
20 3904 1 1 14 HYP C C -2.400 21.476 -6.604 1.00 . A A . 14 HYP C 1 1
20 3905 1 1 14 HYP CA C -3.524 20.833 -5.799 1.00 . A A . 14 HYP CA 1 1
20 3906 1 1 14 HYP CB C -3.345 21.123 -4.306 1.00 . A A . 14 HYP CB 1 1
20 3907 1 1 14 HYP CD C -2.820 18.773 -4.699 1.00 . A A . 14 HYP CD 1 1
20 3908 1 1 14 HYP CG C -2.657 19.918 -3.766 1.00 . A A . 14 HYP CG 1 1
20 3909 1 1 14 HYP HA H -4.474 21.225 -6.132 1.00 . A A . 14 HYP HA 1 1
20 3910 1 1 14 HYP HB2 H -2.745 22.013 -4.179 1.00 . A A . 14 HYP HB2 1 1
20 3911 1 1 14 HYP HB3 H -4.311 21.265 -3.845 1.00 . A A . 14 HYP HB3 1 1
20 3912 1 1 14 HYP HD1 H -2.493 19.629 -1.821 1.00 . A A . 14 HYP HD1 1 1
20 3913 1 1 14 HYP HD22 H -1.873 18.337 -4.980 1.00 . A A . 14 HYP HD22 1 1
20 3914 1 1 14 HYP HD23 H -3.453 18.035 -4.228 1.00 . A A . 14 HYP HD23 1 1
20 3915 1 1 14 HYP HG H -1.598 20.116 -3.691 1.00 . A A . 14 HYP HG 1 1
20 3916 1 1 14 HYP N N -3.491 19.370 -5.867 1.00 . A A . 14 HYP N 1 1
20 3917 1 1 14 HYP O O -2.329 22.699 -6.721 1.00 . A A . 14 HYP O 1 1
20 3918 1 1 14 HYP OD1 O -3.183 19.555 -2.484 1.00 . A A . 14 HYP OD1 1 1
20 3919 1 1 15 ABA C C -0.927 22.015 -9.081 1.00 . A A . 15 AIB C 1 1
20 3920 1 1 15 ABA CA C -0.404 21.132 -7.953 1.00 . A A . 15 AIB CA 1 1
20 3921 1 1 15 ABA H H -1.634 19.679 -7.028 1.00 . A A . 15 AIB H 1 1
20 3922 1 1 15 ABA N N -1.524 20.644 -7.158 1.00 . A A . 15 AIB N 1 1
20 3923 1 1 15 ABA O O -0.550 23.179 -9.218 1.00 . A A . 15 AIB O 1 1
20 3924 1 1 16 PRO C C -3.457 23.185 -10.597 1.00 . A A . 16 PRO C 1 1
20 3925 1 1 16 PRO CA C -2.412 22.167 -11.041 1.00 . A A . 16 PRO CA 1 1
20 3926 1 1 16 PRO CB C -3.067 21.054 -11.863 1.00 . A A . 16 PRO CB 1 1
20 3927 1 1 16 PRO CD C -2.312 20.066 -9.807 1.00 . A A . 16 PRO CD 1 1
20 3928 1 1 16 PRO CG C -3.350 19.972 -10.878 1.00 . A A . 16 PRO CG 1 1
20 3929 1 1 16 PRO HA H -1.660 22.662 -11.638 1.00 . A A . 16 PRO HA 1 1
20 3930 1 1 16 PRO HB2 H -3.976 21.424 -12.316 1.00 . A A . 16 PRO HB2 1 1
20 3931 1 1 16 PRO HB3 H -2.385 20.719 -12.631 1.00 . A A . 16 PRO HB3 1 1
20 3932 1 1 16 PRO HD2 H -2.769 19.891 -8.844 1.00 . A A . 16 PRO HD2 1 1
20 3933 1 1 16 PRO HD3 H -1.515 19.358 -9.982 1.00 . A A . 16 PRO HD3 1 1
20 3934 1 1 16 PRO HG2 H -4.330 20.114 -10.449 1.00 . A A . 16 PRO HG2 1 1
20 3935 1 1 16 PRO HG3 H -3.287 19.009 -11.363 1.00 . A A . 16 PRO HG3 1 1
20 3936 1 1 16 PRO N N -1.817 21.449 -9.910 1.00 . A A . 16 PRO N 1 1
20 3937 1 1 16 PRO O O -3.919 24.003 -11.393 1.00 . A A . 16 PRO O 1 1
20 3938 1 1 17 PHL C C -4.204 24.912 -7.670 1.00 . A A . 17 PHL C 1 1
20 3939 1 1 17 PHL CA C -4.814 24.049 -8.771 1.00 . A A . 17 PHL CA 1 1
20 3940 1 1 17 PHL CB C -6.011 23.272 -8.220 1.00 . A A . 17 PHL CB 1 1
20 3941 1 1 17 PHL CD1 C -8.270 23.581 -9.269 1.00 . A A . 17 PHL CD1 1 1
20 3942 1 1 17 PHL CD2 C -6.782 21.987 -10.234 1.00 . A A . 17 PHL CD2 1 1
20 3943 1 1 17 PHL CE1 C -9.220 23.279 -10.226 1.00 . A A . 17 PHL CE1 1 1
20 3944 1 1 17 PHL CE2 C -7.728 21.681 -11.194 1.00 . A A . 17 PHL CE2 1 1
20 3945 1 1 17 PHL CG C -7.042 22.940 -9.262 1.00 . A A . 17 PHL CG 1 1
20 3946 1 1 17 PHL CZ C -8.949 22.327 -11.189 1.00 . A A . 17 PHL CZ 1 1
20 3947 1 1 17 PHL H H -3.419 22.457 -8.735 1.00 . A A . 17 PHL H 1 1
20 3948 1 1 17 PHL HA H -5.150 24.691 -9.571 1.00 . A A . 17 PHL HA 1 1
20 3949 1 1 17 PHL HB2 H -5.663 22.344 -7.793 1.00 . A A . 17 PHL HB2 1 1
20 3950 1 1 17 PHL HB3 H -6.491 23.860 -7.452 1.00 . A A . 17 PHL HB3 1 1
20 3951 1 1 17 PHL HC1 H -4.703 25.870 -7.650 1.00 . A A . 17 PHL HC1 1 1
20 3952 1 1 17 PHL HC2 H -4.329 24.417 -6.719 1.00 . A A . 17 PHL HC2 1 1
20 3953 1 1 17 PHL HD1 H -8.483 24.326 -8.515 1.00 . A A . 17 PHL HD1 1 1
20 3954 1 1 17 PHL HD2 H -5.828 21.481 -10.238 1.00 . A A . 17 PHL HD2 1 1
20 3955 1 1 17 PHL HE1 H -10.174 23.786 -10.220 1.00 . A A . 17 PHL HE1 1 1
20 3956 1 1 17 PHL HE2 H -7.513 20.937 -11.946 1.00 . A A . 17 PHL HE2 1 1
20 3957 1 1 17 PHL HO H -2.438 25.640 -7.176 1.00 . A A . 17 PHL HO 1 1
20 3958 1 1 17 PHL HZ H -9.689 22.090 -11.939 1.00 . A A . 17 PHL HZ 1 1
20 3959 1 1 17 PHL N N -3.824 23.131 -9.321 1.00 . A A . 17 PHL N 1 1
20 3960 1 1 17 PHL O O -2.806 25.126 -7.899 1.00 . A A . 17 PHL O 1 1
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